Details of the Researcher

PHOTO

Taku Ohara
Section
Institute of Fluid Science
Job title
Professor
Degree

  • Doctor of Engineering (The University of Tokyo)

  • Master of Engineering (The University of Tokyo)

Research History 3

  • 2006/01 - Present
    Tohoku University　Institute of Fluid Science　Professor

  • 1995/04 - 2005/12
    Tohoku University　Institute of Fluid Science　Associate Professor

  • 1991/04 - 1995/03
    Tohoku University　Institute of Fluid Science　Research Associate

Education 3

  • The University of Tokyo　Graduate School of Engineering　Department of Mechanical Engineering

    1986/04 - 1991/03

  • The University of Tokyo　Faculty of Engineering　Department of Mechanical Engineering

    1984/04 - 1986/03

  • The University of Tokyo　Faculty of Arts and Sciences

    1981/04 - 1984/03

Committee Memberships 72

  • Heat Transfer Society of Japan　President

    2026/05 - Present

  • Asian Union of Thermal Science and Engineering　Vice president

    2024/09 - Present

  • International Journal of Heat and Mass Transfer　International Journal of Heat and Mass Transfer

    2019/01 - Present

  • Asian Union of Thermal Science and Engineering　Executive Board Member

    2015 - Present

  • Japan Society of Mechanical Engineers　Executive Board member

    2022/04 - 2024/04

  • Heat Transfer Society of Japan　Vice President

    2022/05 - 2023/05

  • Asian Union of Thermal Science and Engineering　Secretary in General

    2020/10 - 2022/09

  • Japan Society of Mechanical Engineers, Thermal Engineering Division　Head

    2021/04 - 2022/03

  • 日本機械学会熱工学部門　副部門長

    2020/04 - 2021/03

  • 日本熱物性学会　会長

    2020/01 - 2020/12

  • 日本流体力学会　理事

    2018/04 - 2020/02

  • 日本伝熱学会　理事

    2015 - 2017

  • JSME Mechanical Engineering Letters　副編集委員長

    2015 - 2017

  • 日本熱物性学会　副会長（事務局）

    2014/01 - 2016/12

  • 日本機械学会東北支部　庶務幹事

    2013 - 2015

  • 日本伝熱学会　東北支部副支部長

    2012 - 2014

  • 日本伝熱学会　理事

    2012 - 2014

  • 日本機械学会　熱工学部門運営委員

    2012 - 2014

  • Scientific World Journal　Editorial Board Member

    2012 - 2014

  • 日本伝熱学会　東北支部副支部長

    2012 - 2014

  • 日本機械学会　熱工学部門運営委員

    2012 - 2014

  • 日本機械学会　東北支部幹事

    2012 - 2013

  • 日本機械学会　東北支部幹事

    2012 - 2013

  • 日本流体力学会　代議員

    2011 - 2012

  • 日本機械学会　表彰部会 委員

    2011 - 2012

  • 日本流体力学会　代議員

    2011 - 2012

  • 日本機械学会　表彰部会 委員

    2011 - 2012

  • 日本伝熱学会　評議員

    2010 - 2012

  • 日本伝熱学会・編修委員会　委員

    2010 - 2012

  • ISRN Mechanical Engineering　エディター

    2010 - 2012

  • 日本伝熱学会　評議員

    2010 - 2012

  • 日本伝熱学会・編修委員会　委員

    2010 - 2012

  • 日本機械学会　商議員

    2010 - 2011

  • 日本機械学会　商議員

    2010 - 2011

  • 日本伝熱学会Thermal Science and Engineering編集委員会　委員（Editor）

    2005 - 2011

  • 日本伝熱学会Thermal Science and Engineering編集委員会　委員（Editor）

    2005 - 2011

  • 日本機械学会計算力学部門運営委員会　委員

    2009 - 2010

  • 日本機械学会・計算力学部門運営委員会　委員

    2009 - 2010

  • 日本機械学会計算力学部門運営委員会　委員

    2009 - 2010

  • 日本機械学会・計算力学部門運営委員会　委員

    2009 - 2010

  • 日本機械学会学会誌編集部会　委員

    2008 - 2009

  • 日本機械学会学会誌編集部会　委員

    2008 - 2009

  • 日本機械学会熱工学部門Journal of Thermal Science and Technology編集委員会　委員

    2005 - 2009

  • Editorial Board, Journal of Thermal Science and Technology　Editor

    2005 - 2009

  • 日本機械学会熱工学部門運営委員会　委員

    2007 - 2008

  • 日本機械学会熱工学部門運営委員会　委員

    2007 - 2008

  • 日本機械学会熱工学部門出版委員会　委員

    2006 - 2007

  • 日本機械学会熱工学部門出版委員会　委員

    2006 - 2007

  • 日本熱物性学会　評議員

    2003 - 2005

  • 日本熱物性学会　評議員

    2003 - 2005

  • 日本伝熱学会　評議員

    2002 - 2005

  • 日本伝熱学会　評議員

    2002 - 2005

  • 日本機械学会　代表会員

    2012 -

  • 日本機械学会　代表会員

    2012 -

  • Scientific World Journal　Editorial Board Member

    2012 -

  • 日本機械学会・熱工学部門学会賞委員会　委員長

    2010 -

  • 日本機械学会・学会賞委員会　委員

    2010 -

  • 日本機械学会・熱工学部門学会賞委員会　委員長

    2010 -

  • 日本機械学会・学会賞委員会　委員

    2010 -

  • ISRN Mechanical Engineering　Editor

    2010 -

  • 日本機械学会熱工学部門学会賞委員会　委員

    2009 -

  • 日本機械学会熱工学部門学会賞委員会　委員

    2009 -

  • 日本伝熱学会・表彰選考委員会　委員

    2008 -

  • 日本伝熱学会・表彰選考委員会　委員

    2008 -

  • 日本機械学会熱工学部門学会賞委員会　委員

    2007 -

  • 日本機械学会熱工学部門学会賞委員会　委員

    2007 -

  • 日本伝熱学会表彰選考委員会　委員

    2005 -

  • 日本機械学会熱工学部門学会賞委員会　幹事

    2005 -

  • 日本伝熱学会表彰選考委員会　委員

    2005 -

  • 日本機械学会熱工学部門学会賞委員会　幹事

    2005 -

  • 日本機械学会熱工学部門年鑑委員会　委員長

    2004 -

  • 日本機械学会熱工学部門年鑑委員会　委員長

    2004 -

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Professional Memberships 28

  • 日本流体力学会

  • 日本熱物性学会

  • 日本伝熱学会

  • 日本機械学会

  • 日本機械学会熱工学部門年鑑委員会

  • 日本伝熱学会表彰選考委員会

  • 日本機械学会熱工学部門出版委員会

  • 日本機械学会熱工学部門運営委員会

  • 日本伝熱学会・表彰選考委員会

  • Journal of Thermal Science and Technology

  • Editorial Board

  • 日本機械学会学会誌編集部会

  • 日本機械学会熱工学部門学会賞委員会

  • 日本機械学会計算力学部門運営委員会

  • 日本機械学会・計算力学部門運営委員会

  • 日本機械学会・熱工学部門学会賞委員会

  • 日本機械学会・学会賞委員会

  • 日本伝熱学会Thermal Science and Engineering編集委員会

  • 日本伝熱学会・編修委員会

  • 日本機械学会東北支部

  • Japan Society of Thermophysical Engineering

  • ISRN Mechanical Engineering

  • Scientific World Journal

  • JSME Mechanical Engineering Letters

  • Asian Union of Thermal Science and Engineering

  • 日本流体力学会

  • 日本熱物性学会

  • 日本伝熱学会

︎Show all ︎Show first 5

Research Interests 10

  • Thermal resistance

  • Solid-liquid interface

  • 分子動力学

  • エネルギー

  • 流体

  • ナノスケール

  • Molecular Dynamics

  • Energy

  • Fluid

  • Nano-scale

Research Areas 2

  • Manufacturing technology (mechanical, electrical/electronic, chemical engineering) / Fluid engineering /

  • Manufacturing technology (mechanical, electrical/electronic, chemical engineering) / Thermal engineering /

Awards 15

  1. Fellow

    2021/07　Asian Union of Thermal Science and Engineering

  2. Outstanding Achievement Award

    2019/05　Heat Transfer Society of Japan　Analysis of molecular-scale thermal energy transfer in liquids: Mechanism of heat conduction and its correlation with molecular-scale structure

  3. フェロー

    2019/02　日本流体力学会

  4. 日本機械学会創立120周年記念功労表彰

    2017/11

  5. 日本機械学会熱工学部門 講演論文表彰

    2014/03

  6. Academic Achievement Award, Heat Transfer Society of Japan

    2013/05

  7. 日本機械学会 フェロー

    2012

  8. Best Paper Award, Japan Society of Thermophysical Properties

    2011/11

  9. 日本機械学会 熱工学部門賞（業績賞）

    2011/03　熱工学、とりわけ分子熱流体、界面、液膜流などの分野における顕著な研究業績

  10. Best Paper Award, Japan Society of Mechanical Engineers

    2009/04　固体壁面間でせん断を受ける極薄液膜の分子動力学的研究（固液界面におけるエネルギー・運動量伝搬に及ぼす固体結晶面の影響）

  11. 日本機械学会熱工学部門講演論文表彰

    2009/03　SAM－溶媒界面における界面熱抵抗特性の分子論的研究

  12. 日本伝熱学会学術賞

    2004/05　バイオ分子解析のためのラチェット式電気泳動マイクロチップ

  13. 日本流体力学会竜門賞

    2001/02　Intermolecular energy transfer in liquid water and its contribution to heat conduction: A molecular dynamics study

  14. 日本機械学会論文賞

    1993/04

  15. 機器研究会 研究奨励賞

    1993/01

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Papers 244

  1. Verification of kinetic model for liquid molecule transport within adsorption layers on solid surfaces via molecular dynamics simulation Peer-reviewed

    Naohiro Dezawa, Donatas Surblys, Gota Kikugawa, Takeo Nakano, Taku Ohara

    The Journal of Chemical Physics　164　(14)　2026/04/09

    Publisher: AIP Publishing

    DOI： 10.1063/5.0331495 　

    ISSN： 0021-9606

    eISSN： 1089-7690

    More details Close

    In the manufacturing process of semiconductor devices, wet processes such as cleaning and chemical treatment on surfaces with nanoscale fine structures play a critical role. The mass transport within nanoscale structures exhibits properties different from those of bulk liquids, owing to the influence of layered adsorption structures of liquid molecules formed near solid–liquid interfaces. In this study, we interpreted transport phenomena near solid–liquid interfaces as successive hopping motions between adsorption layers (adsorption and desorption events) and expressed their frequency using rate constants. Furthermore, we developed a theoretical model to quantitatively predict these rate constants based on the Arrhenius equation and transition state theory (TST). To validate the constructed theoretical model, molecular dynamics (MD) simulations were performed for two representative systems: a simple model consisting of Pt as the solid wall and Ar as the liquid molecule, and a more realistic system with SiO2 and H2O. The results showed that the initial desorption from the adsorption layer can be well described by the theoretical model, whereas subsequent desorption proceeds more slowly than predicted. The observed discrepancy between the theoretical model and the simulations was attributed to the breakdown of the quasi-equilibrium assumption in TST for the molecules remaining in the adsorption layer. To interpret this mismatch, we proposed a conceptual model that focuses on molecular recrossing events at the adsorption-layer boundary. It is expected to provide useful guidance for future modeling of transport phenomena near solid surfaces.

  2. Thermal conductivity of sugar alcohols: A molecular dynamics insight Peer-reviewed

    Shukai Cheng, Donatas Surblys, Taku Ohara

    International Journal of Heat and Mass Transfer　254　127709-127709　2026/01

    Publisher: Elsevier BV

    DOI： 10.1016/j.ijheatmasstransfer.2025.127709 　

    ISSN： 0017-9310

  3. Enhancement of thermal transport via electrostatic surface modification by ionic organic additives under electric fields: A molecular dynamics study Peer-reviewed

    Haiyi Sun, Donatas Surblys, Taku Ohara

    Applied Thermal Engineering　274　126803-126803　2025/09

    Publisher: Elsevier BV

    DOI： 10.1016/j.applthermaleng.2025.126803 　

    ISSN： 1359-4311

  4. Interfacial Thermal Transport over Solid–Liquid Interfaces Mediated by Heterogeneous Self-Assembled Monolayers: A Molecular Dynamics Study Peer-reviewed

    Qing-Yao Luo, Donatas Surblys, Gota Kikugawa, Taku Ohara

    The Journal of Physical Chemistry B　129　8888-8901　2025/08/20

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpcb.5c01889 　

    ISSN： 1520-6106

    eISSN： 1520-5207

  5. Chain and End Group Effects of Self-Assembled Monolayers of Tripodal Molecules on Solid–Liquid Interfacial Thermal Resistance Peer-reviewed

    Takaki Imaizumi, Ryosuke Takehara, Donatas Surblys, Yuichiro Yamashita, Takashi Yagi, Sajisha Sanjayan, Yoshiaki Shoji, Taku Ohara, Takanori Fukushima

    Langmuir　41　18200-18212　2025/06/29

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.langmuir.5c02158 　

    ISSN： 0743-7463

    eISSN： 1520-5827

  6. Molecular dynamics study on phase change properties and their nano-mechanism of sugar alcohols: Melting and latent heat Peer-reviewed

    Shukai Cheng, Donatas Surblys, Taku Ohara

    International Journal of Heat and Mass Transfer　234　126104-126104　2024/12

    Publisher: Elsevier BV

    DOI： 10.1016/j.ijheatmasstransfer.2024.126104 　

    ISSN： 0017-9310

  7. Chemical heterogeneity size effects at nanoscale on interface thermal resistance of solid–liquid polymer interface via molecular dynamics simulations Peer-reviewed

    Qing-Yao Luo, Donatas Surblys, Hiroki Matsubara, Taku Ohara

    AIP Advances　14　075305　2024/07

    DOI： 10.1063/5.0218506 　

  8. Molecular dynamics study on the effect of surface ionization on the interfacial heat transfer between silica and water Peer-reviewed

    Haiyi Sun, Donatas Surblys, Shukai Cheng, Taku Ohara

    Applied Thermal Engineering　244　122762-122762　2024/05

    Publisher: Elsevier BV

    DOI： 10.1016/j.applthermaleng.2024.122762 　

    ISSN： 1359-4311

  9. A molecular dynamics study on the solid–liquid polymer interface: insight into the effect of surface roughness scale and polymer chain length on interfacial thermal resistance Peer-reviewed

    Qing-Yao Luo, Donatas Surblys, Hiroki Matsubara, Taku Ohara

    Molecular Physics　122　(18)　e2321311　2024/02/26

    Publisher: Informa UK Limited

    DOI： 10.1080/00268976.2024.2321311 　

    ISSN： 0026-8976

    eISSN： 1362-3028

  10. Degrees of freedom of atoms in a rigid molecule for local temperature calculation in molecular dynamics simulation Peer-reviewed

    Hiroki Matsubara, Donatas Surblys, Taku Ohara

    Molecular Simulation　49　(13-14)　1365-1372　2023/07/17

    Publisher: Informa UK Limited

    DOI： 10.1080/08927022.2023.2232466 　

    ISSN： 0892-7022

    eISSN： 1029-0435

  11. Molecular dynamics study on the role of hydrogen bonds and interfacial heat transfer between diverse silica surfaces and organic liquids Peer-reviewed

    Haiyi Sun, Donatas Surblys, Hiroki Matsubara, Taku Ohara

    International Journal of Heat and Mass Transfer　208　14091　2023/03

    DOI： 10.1016/j.ijheatmasstransfer.2023.124091 　

  12. Molecular Dynamics Study of Energy Transport Mechanism in Nanofluids: Spatial and Component Decompositions of Effective Thermal Conductivity Peer-reviewed

    Yoshitaka Ueki, Yukihiro Yamamoto, Taku Ohara, Masahiko Shibahara

    International Journal of Heat and Mass Transfer　202　123746-123746　2023/03

    Publisher: Elsevier BV

    DOI： 10.1016/j.ijheatmasstransfer.2022.123746 　

    ISSN： 0017-9310

  13. Enhancing mechanism of CNT-CNT interface by metal nanoparticle and nanowire effect on the inside and outside of CNT Peer-reviewed

    Hanying Zou, Yanhui Feng, Xinxin Zhang, Taku Ohara, Lin Qiu

    International Journal of Thermal Sciences　185　108094-108094　2023/03

    Publisher: Elsevier BV

    DOI： 10.1016/j.ijthermalsci.2022.108094 　

    ISSN： 1290-0729

  14. One-dimensional harmonic chain model of vibration-mode matching in solid-liquid interfacial thermal transport Peer-reviewed

    Hiroki Matsubara, Donatas Surblys, Taku Ohara

    Physical Review E　107　(2)　024103　2023/02/01

    Publisher: American Physical Society (APS)

    DOI： 10.1103/physreve.107.024103 　

    ISSN： 2470-0045

    eISSN： 2470-0053

  15. Molecular dynamics study on the thermal conductivity of a single polyethylene chain: Strain dependence and potential models’ effect Peer-reviewed

    Tsuyoshi Ito, Hiroki Matsubara, Donatas Surblys, Taku Ohara

    AIP Advances　12　(10)　105223-105223　2022/10/01

    Publisher: AIP Publishing

    DOI： 10.1063/5.0095975 　

    eISSN： 2158-3226

    More details Close

    The thermal conductivity of a single polymer chain, which is an important factor in the rational design of polymer-based thermal management materials, is strongly affected by the strain state of the chain. In the present study, using non-equilibrium molecular dynamics simulations, the thermal conductivity of a single polyethylene chain, representing a typical polymer chain, was calculated as a function of strain. To investigate the effect of different modeling of covalent bonds, the results were compared for reactive and non-reactive potential models, the AIREBO and NERD potentials, respectively. When the strain ε was as small as ε < −0.03, i.e., under slight compression, the thermal conductivity values were similar regardless of the potential model and increased with increasing strain. However, the two potential models showed qualitatively different behaviors for larger strains up to ε < 0.15: the thermal conductivity calculated by the non-reactive potential continually grows with increasing strain, whereas that by the reactive potential model is saturated. The analysis of internal stress and vibrational density of states suggested that the saturation behavior is due to the weakening of the covalent bond force as the C–C bond elongates, and thus, the result of the reactive model is likely more realistic. However, for ε > 0.1, the reactive potential also produced unphysical results due to the effect of the switching function, describing the formation and breaking of covalent bonds. The present results indicate that careful selection of the potential model and deformation range is necessary when investigating the properties of polymers under tensile strain.

  16. Computing the Work of Solid–Liquid Adhesion in Systems with Damped Coulomb Interactions via Molecular Dynamics: Approaches and Insights Peer-reviewed

    Donatas Surblys, Florian Müller-Plathe, Taku Ohara

    The Journal of Physical Chemistry A　126　(32)　5506-5516　2022/08/18

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpca.2c03934 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  17. Prediction of nanoscale thermal transport and adsorption of liquid containing surfactant at solid–liquid interface via deep learning International-journal Peer-reviewed

    Yuting Guo, Gaoyang Li, Takuya Mabuchi, Donatas Surblys, Taku Ohara, Takashi Tokumasu

    Journal of Colloid and Interface Science　613　587-596　2022/05

    Publisher: Elsevier BV

    DOI： 10.1016/j.jcis.2022.01.037 　

    ISSN： 0021-9797

    More details Close

    HYPOTHESIS: Recent advances in deep learning (DL) have enabled high level of real-time prediction of thermophysical properties of materials. On the other hand, molecular dynamics (MD) have been long used as a numerical microscope to observe detailed interfacial conditions but require separate simulations that are computationally costly. Hence, it should be possible to combine MD and DL to obtain high resolution interfacial details at a low computational cost. EXPERIMENT: We proposed a novel DL encoding-decoding convolutional neural network (CNN) coupled with MD to realize the mapping from micro solid-liquid interface geometry to molecular temperature and density distribution of liquid containing surfactant. A multi-nanoscale optimization scheme was further proposed to reduce the uncertainty of DL prediction at the expense of local details to obtain more resilient predictors. FINDINGS: The statistical results showed that the proposed CNN had high prediction accuracy and could reproduce the heat transfer and adsorption phenomena under the influence of various factors including liquid composition, wettability, and solid surface roughness, while the computational efficiency was greatly improved. Our DL method with the support of multi-nanoscale learning strategies can achieve the fast and accurate visualization and prediction of various interfacial properties of liquid and assist for interfacial material design.

  18. Prediction of the adsorption properties of liquid at solid surfaces with molecular scale surface roughness via encoding-decoding convolutional neural networks Peer-reviewed

    Gaoyang Li, Yuting Guo, Takuya Mabuchi, Donatas Surblys, Taku Ohara, Takashi Tokumasu

    Journal of Molecular Liquids　349　118489-118489　2022/03

    Publisher: Elsevier BV

    DOI： 10.1016/j.molliq.2022.118489 　

    ISSN： 0167-7322

  19. Molecular dynamics study on vibration-mode matching in surfactant-mediated thermal transport at solid–liquid interfaces Peer-reviewed

    Hiroki Matsubara, Donatas Surblys, Yunhao Bao, Taku Ohara

    Journal of Molecular Liquids　347　118363-118363　2022/02

    DOI： 10.1016/j.molliq.2021.118363 　

    ISSN： 0167-7322

    eISSN： 1873-3166

  20. Excellent heat transfer and phase transformation performance of erythritol/graphene composite phase change materials Peer-reviewed

    Xiaoxin Yan, Haibo Zhao, Yanhui Feng, Lin Qiu, Lin Lin, Xinxin Zhang, Taku Ohara

    Composites Part B: Engineering　228　109435-109435　2022/01

    Publisher: Elsevier BV

    DOI： 10.1016/j.compositesb.2021.109435 　

    ISSN： 1359-8368

  21. Methodology and meaning of computing heat flux via atomic stress in systems with constraint dynamics Invited Peer-reviewed

    Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    Journal of Applied Physics　130　(21)　215104-215104　2021/12/07

    Publisher: AIP Publishing

    DOI： 10.1063/5.0070930 　

    ISSN： 0021-8979

    eISSN： 1089-7550

  22. The effect of surface roughness and solvent polymer chain-length on solid-liquid interfacial Thermal Resistance

    Qing-Yao Luo, Yining Li, Surblys Donatas, Hiroki Matsubara, Taku Ohara

    Proceedings of the International Conference on Flow Dynamics, 2021　2021/11

  23. Obtaining heat flux via atomic stress in systems with many-body interactions and constrained dynamics Peer-reviewed

    Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    Proceedings of the 2nd Asian Conference on Thermal Sciences　20321　2021/10

  24. Effect of molecular structure and molecular scale interaction on thermal conductivity of fluorocarbon liquids: A molecular dynamics study Peer-reviewed

    Shinsuke Kokubo, Hiroki Matsubara, Donatas Surblys, Gota Kikugawa, Taku Ohara

    Proceedings of the 2nd Asian Conference on Thermal Sciences　20322　2021/10

  25. Thermal conduction over PEG-terminated SAM/water interface with different SAM chain lengths Peer-reviewed

    Gota Kikugawa, Leton Chandra Saha, Takashi Yagi, Yuichiro Yamashita, Masahide Sato, Taku Ohara

    Proceedings of the 2nd Asian Conference on Thermal Sciences　20312　2021/10

  26. Molecular-scale insights into the heat transfer enhancement at solid-liquid interfaces by surfactants: Effect of vibrational properties of surfactant molecules Peer-reviewed

    Hiroki Matsubara, Donatas Surblys, Yunhao Bao, Taku Ohara

    Proceedings of the 2nd Asian Conference on Thermal Sciences　20314　2021/10

  27. A molecular dynamics study of the effect of functional groups and side chain on adsorption of alcoholic surfactant and interfacial thermal transport Peer-reviewed

    Yuting Guo, Donatas Surblys, Hiroki Matsubara, Taku Ohara

    Journal of Molecular Liquids　335　116243-116243　2021/08

    Publisher: Elsevier BV

    DOI： 10.1016/j.molliq.2021.116243 　

    ISSN： 0167-7322

  28. Comparison of molecular heat transfer mechanisms between water and ammonia in the liquid states Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    International Journal of Thermal Sciences　161　106762-106762　2021/03

    Publisher: Elsevier BV

    DOI： 10.1016/j.ijthermalsci.2020.106762 　

    ISSN： 1290-0729

  29. Effect of the in-plane aspect ratio of a graphene filler on anisotropic heat conduction in paraffin/graphene composites Peer-reviewed

    Hiroki Matsubara, Taku Ohara

    Physical Chemistry Chemical Physics　23　(21)　12082-12092　2021

    Publisher: Royal Society of Chemistry (RSC)

    DOI： 10.1039/d1cp00556a 　

    ISSN： 1463-9076

    eISSN： 1463-9084

    More details Close

    <p>The analysis of molecular-scale heat transfer in paraffin/graphene composite based on molecular dynamics simulation suggests an important effect of the in-plane aspect ratio of a graphene filler on the effective thermal conductivity of the composite.</p>

  30. Molecular Dynamics Study on the Effect of Long-Chain Surfactant Adsorption on Interfacial Heat Transfer between a Polymer Liquid and Silica Surface Peer-reviewed

    Yuting Guo, Donatas Surblys, Hiroki Matsubara, Yoshiaki Kawagoe, Taku Ohara

    The Journal of Physical Chemistry C　124　(50)　27558-27570　2020/12/17

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpcc.0c08940 　

    ISSN： 1932-7447

    eISSN： 1932-7455

  31. Output density quantification of electricity generation by flowing deionized water on graphene Peer-reviewed

    Kei Kuriya, Kotaro Ochiai, Golap Kalita, Masaki Tanemura, Atsuki Komiya, Gota Kikugawa, Taku Ohara, Ichiro Yamashita, Fumio S. Ohuchi, M. Meyyappan, Seiji Samukawa, Katsuyoshi Washio, Takeru Okada

    Applied Physics Letters　117　(12)　123905-123905　2020/09/21

    Publisher: AIP Publishing

    DOI： 10.1063/5.0018862 　

    ISSN： 0003-6951

    eISSN： 1077-3118

  32. Cross-Plane and In-Plane Heat Conductions in Layer-by-Layer Membrane: Molecular Dynamics Study Peer-reviewed

    Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    Langmuir　36　(23)　6482-6493　2020/06/16

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.langmuir.0c00845 　

    ISSN： 0743-7463

    eISSN： 1520-5827

  33. Erratum to “A molecular dynamics study of thermal boundary resistance over solid interfaces with an extremely thin liquid film” (International Journal of Heat and Mass Transfer (2020) 147, (S0017931019306490), (10.1016/j.ijheatmasstransfer.2019.118949)) Peer-reviewed

    Xiao Liu, Donatas Surblys, Yoshiaki Kawagoe, Abdul Rafeq Bin Saleman, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    International Journal of Heat and Mass Transfer　150　2020/04

    DOI： 10.1016/j.ijheatmasstransfer.2020.119307 　

    ISSN： 0017-9310

  34. Evaluation of thermal conductivity and its structural dependence of a single nanodiamond using molecular dynamics simulation Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Taku Ohara

    Diamond and Related Materials　102　107669　2020/02

    DOI： 10.1016/j.diamond.2019.107669 　

    ISSN： 0925-9635

  35. A molecular dynamics study of thermal boundary resistance over solid interfaces with an extremely thin liquid film Peer-reviewed

    Xiao Liu, Donatas Surblys, Yoshiaki Kawagoe, Abdul Rafeq Bin Saleman, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    International Journal of Heat and Mass Transfer　147　118949-118949　2020/02

    DOI： 10.1016/j.ijheatmasstransfer.2019.118949 　

    ISSN： 0017-9310

    eISSN： 1879-2189

  36. Thermal conductivity of nanofluids: A comparison of EMD and NEMD calculations Peer-reviewed

    K. Fujiwara, M. Daimo, Y. Ueki, T. Ohara, M. Shibahara

    International Journal of Heat and Mass Transfer　144　118695-118695　2019/12

    Publisher: Elsevier BV

    DOI： 10.1016/j.ijheatmasstransfer.2019.118695 　

    ISSN： 0017-9310

  37. A molecular dynamics study of heat transfer over an ultra-thin liquid film with surfactant between solid surfaces Peer-reviewed

    Yuting Guo, Donatas Surblys, Yoshiaki Kawagoe, Hiroki Matsubara, Taku Ohara

    Journal of Applied Physics　126　(18)　185302　2019/11/14

    DOI： 10.1063/1.5123583 　

    ISSN： 0021-8979

    eISSN： 1089-7550

  38. Construction of polydisperse polymer model and investigation of heat conduction: A molecular dynamics study of linear and branched polyethylenimine Peer-reviewed

    Yoshiaki Kawagoe, Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    Polymer　180　121721　2019/10/10

    DOI： 10.1016/j.polymer.2019.121721 　

    ISSN： 0032-3861

  39. A molecular dynamics study on the effect of surfactant adsorption on heat transfer at a solid-liquid interface Peer-reviewed

    Yuting Guo, Donatas Surblys, Yoshiaki Kawagoe, Hiroki Matsubara, Xiao Liu, Taku Ohara

    International Journal of Heat and Mass Transfer　135　115-123　2019/06

    DOI： 10.1016/j.ijheatmasstransfer.2019.01.131 　

    ISSN： 0017-9310

  40. Application of atomic stress to compute heat flux via molecular dynamics for systems with many-body interactions Peer-reviewed

    Donatas Surblys, Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    Physical Review E　99　(5)　051301(R)　2019/05/14

    DOI： 10.1103/PhysRevE.99.051301 　

    ISSN： 2470-0045

    eISSN： 2470-0053

  41. All- and one-particle distribution functions at nonequilibrium steady state under thermal gradient Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Taku Ohara

    Physical Review E　99　(5)　052110　2019/05/10

    DOI： 10.1103/PhysRevE.99.052110 　

    ISSN： 2470-0045

    eISSN： 2470-0053

  42. Molecular dynamics investigation of surface roughness scale effect on interfacial thermal conductance at solid-liquid interfaces Peer-reviewed

    Donatas Surblys, Yoshiaki Kawagoe, Masahiko Shibahara, Taku Ohara

    The Journal of Chemical Physics　150　(11)　114705-114705　2019/03/21

    Publisher: AIP Publishing

    DOI： 10.1063/1.5081103 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  43. Molecular dynamics study on thermal energy transfer in bulk polyacrylic acid Peer-reviewed

    Yoshiaki Kawagoe, Donatas Surblys, Gota Kikugawa, Taku Ohara

    AIP Advances　9　025302　2019/02

    DOI： 10.1063/1.5080432 　

  44. Data Analysis of Multi-Dimensional Thermophysical Properties of Liquid Substances Based on Clustering Approach of Machine Learning Peer-reviewed

    Gota Kikugawa, Yuta Nishimura, Koji Shimoyama, Taku Ohara, Tomonaga Okabe, Fumio Ohuchi

    Chemical Physics Letters　728　109-114　2019

  45. A molecular dynamics study on the thermal rectification effect at the solid-liquid interfaces between the face-centered cubic (FCC) of gold (Au) with the surfaces of (100), (110) and (111) crystal planes facing the liquid methane (CH4) Peer-reviewed

    Abdul Rafeq, bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Molecular Simulation　45　(1)　68-79　2018/10

    DOI： 10.1080/08927022.2018.1535177 　

  46. Kinetic model for molecular transport of liquid mixtures in the vicinity of solid-liquid interfaces Peer-reviewed

    Mamoru Hirasawa, Gota Kikugawa, Takeo Nakano, Taku Ohara

    Proceedings of the 16th International Heat Transfer Conference　IHTC16-22176　2018/08

  47. Microscopic picture of heat conduction in liquid ethylene glycol by molecular dynamics simulation: Difference from the monohydric case Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Mamoru Ishikiriyama, Seiji Yamashita, Taku Ohara

    International Journal of Heat and Mass Transfer　121　1033-1038　2018/06

    DOI： 10.1016/j.ijheatmasstransfer.2018.01.060 　

    ISSN： 0017-9310

  48. Molecular dynamics study of thermal resistance of solid-liquid interface in contact with single layer of nanoparticles Peer-reviewed

    Yoshitaka Ueki, Yasuhiro Miyazaki, Masahiko Shibahara, Taku Ohara

    International Journal of Heat and Mass Transfer　120　608-623　2018/05/01

    Publisher: Elsevier Ltd

    DOI： 10.1016/j.ijheatmasstransfer.2017.12.061 　

    ISSN： 0017-9310

  49. Heat transport at solid-liquid interfaces between face- centered cubic lattice and liquid alkanes

    Abdul Rafeq Saleman, Fudhail Abdul Munir, Mohd Rody Mohammad Zin, Mohd Shukri Yob, Gota Kikugawa, Taku Ohara

    Journal of Advanced Research in Fluid Mechanics and Thermal Sciences　44　(1)　123-130　2018/04/01

    Publisher: Penerbit Akademia Baru

    ISSN： 2289-7879

  50. A molecular dynamics study on thermophysical and transport properties of fluorinated alkane liquids Peer-reviewed

    Gota Kikugawa, Naoki Minami, Yingping Fang, Mitsuru Nemoto, Hiroki Matsubara, Taku Ohara

    International Heat Transfer Conference　2018-August　7019-7024　2018

    ISSN： 2377-424X

  51. Thermal boundary conductance and energy transfer modes over the interfaces of various self-assembled monolayers and solvents: A molecular dynamics study Peer-reviewed

    Gota Kikugawa, Mitsuru Nemoto, Taku Ohara

    Proceedings of the 9th JSME-KSME Thermal and Fluids Engineering Conference　2017/10

  52. A molecular dynamics study on the thermal energy transfer and momentum transfer at the solid-liquid interfaces between gold and sheared liquid alkanes Peer-reviewed

    Abdul Rafeq bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, Taku Ohara

    INTERNATIONAL JOURNAL OF THERMAL SCIENCES　120　273-288　2017/10

    DOI： 10.1016/j.ijthermalsci.2017.06.014 　

    ISSN： 1290-0729

    eISSN： 1778-4166

  53. Equivalence of the EMD- and NEMD-based decomposition of thermal conductivity into microscopic building blocks Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Mamoru Ishikiriyama, Seiji Yamashita, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　147　(11)　114104　2017/09

    DOI： 10.1063/1.4990593 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  54. Understanding the chain length dependence of thermal conductivity of liquid alcohols at 298 K on the basis of molecular-scale energy transfer Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    FLUID PHASE EQUILIBRIA　441　24-32　2017/06

    DOI： 10.1016/j.fluid.2016.12.019 　

    ISSN： 0378-3812

    eISSN： 1879-0224

  55. Molecular dynamics study on the role of hydroxyl groups in heat conduction in liquid alcohols Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　108　749-759　2017/05

    DOI： 10.1016/j.ijheatmasstransfer.2016.12.045 　

    ISSN： 0017-9310

    eISSN： 1879-2189

  56. Molecular Dynamics Study on Influence of Nanoparticles on Thermal Resistance Over a Solid-Liquid Interface Peer-reviewed

    2017/03

  57. Thermal energy transport over the solvent interface of self-assembled monolayers with different fluorination Peer-reviewed

    Gota Kikugawa, Mitsuru Nemoto, Taku Ohara

    Proceedings of the Asian Conference on Thermal Sciences 2017　2017/03

  58. Thermal rectification effects on solid-liquid interfaces between face-centered cubic (FCC) lattice and a simple liquid Peer-reviewed

    Abdul Rafeq, bin Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the Asian Conference on Thermal Sciences 2017　2017/03

  59. A molecular dynamics study on the thermal transport properties and the structure of the solid-liquid interfaces between face centered cubic (FCC) crystal planes of gold in contact with linear alkane liquids Peer-reviewed

    Abdul Rafeq Bin Saleman, Had Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, Taku Ohara

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　105　168-179　2017/02

    DOI： 10.1016/j.ijheatmasstransfer.2016.09.069 　

    ISSN： 0017-9310

    eISSN： 1879-2189

  60. 6.3.1 脂質二重膜中の熱エネルギー伝搬特性 Invited

    小原 拓, 中野雄大, 菊川豪太

    佐藤岳彦他編, 高度物理刺激と生体応答, 第6章 計測・予測と応用, 6.3 数値解析, 養賢堂　170-173　2017

  61. 液体・界面の熱輸送特性発現機構－分子設計を志向して Invited Peer-reviewed

    松原裕樹, 菊川豪太, 小原 拓

    伝熱　56　(236)　17-24　2017

  62. Molecular thermal energy transfer in binary mixture of simple liquids Peer-reviewed

    Yingping Fang, Gota Kikugawa, Hiroki Matsubara, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    FLUID PHASE EQUILIBRIA　429　293-300　2016/12

    DOI： 10.1016/j.fluid.2016.09.013 　

    ISSN： 0378-3812

    eISSN： 1879-0224

  63. Non-equilibrium molecular dynamics simulation as a method of calculating thermodynamic coefficients Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    FLUID PHASE EQUILIBRIA　421　1-8　2016/08

    DOI： 10.1016/j.fluid.2016.03.019 　

    ISSN： 0378-3812

    eISSN： 1879-0224

  64. Structure and Mass Transport Characteristics at the Intrinsic Liquid Vapor Interfaces of Alkanes Peer-reviewed

    Had Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    JOURNAL OF PHYSICAL CHEMISTRY B　120　(29)　7207-7216　2016/07

    DOI： 10.1021/acs.jpcb.6b05332 　

    ISSN： 1520-6106

  65. Mechanism of thermal energy transfer in Nanoscale Solid-Liquid Systems

    Masahiko Shibahara, Gota Kikugawa, Hari Krishna Chilukoti, Taku Ohara

    Proceedings of The Sixteenth International Symposium on Advanced Fluid Information　84-85　2016

  66. Molecular Transport Phenomena of Liquids Confined in the Nanoscopic Structures

    Gota Kikugawa, Yoichi Naruke, Jo Suzuki, Takeo Nakano, Taku Ohara

    Proceedings of Thirteenth International Conference on Flow Dynamics　418-419　2016

  67. Molecular-Scale Structure of Liquid Alkane Mixtures in the Vicinity of α-Quartz Substrate

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of Thirteenth International Conference on Flow Dynamics　416-417　2016

  68. Mass transport and structure of liquid n-alkane mixtures in the vicinity of alpha-quartz substrates Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    RSC ADVANCES　6　(102)　99704-99713　2016

    DOI： 10.1039/c6ra22398b 　

    ISSN： 2046-2069

  69. Self-diffusion Coefficient and Structure of Binary n-Alkane Mixtures at the Liquid-Vapor Interfaces Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    JOURNAL OF PHYSICAL CHEMISTRY B　119　(41)　13177-13184　2015/10

    DOI： 10.1021/acs.jpcb.5b07189 　

    ISSN： 1520-6106

  70. Hydrodynamic consideration of the finite size effect on the self-diffusion coefficient in a periodic rectangular parallelepiped system Peer-reviewed

    Gota Kikugawa, Takeo Nakano, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　143　(2)　024507　2015/07

    DOI： 10.1063/1.4926841 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  71. Local thermal transport of liquid alkanes in the vicinity of α-quartz solid surfaces and thermal resistance over the interfaces: A molecular dynamics study Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, Taku Ohara

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics　91　(5)　052404　2015/05/20

    Publisher: American Physical Society

    DOI： 10.1103/PhysRevE.91.052404 　

    ISSN： 1550-2376 1539-3755

  72. Local thermal transport of liquid alkanes in the vicinity of alpha-quartz solid surfaces and thermal resistance over the interfaces: A molecular dynamics study Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, Taku Ohara

    PHYSICAL REVIEW E　91　(5)　2015/05

    DOI： 10.1103/PhysRevE.91.052404 　

    ISSN： 2470-0045

    eISSN： 2470-0053

  73. A molecular dynamics study on mass transport characteristics in the vicinity of Si02-water/IPA interfaces Peer-reviewed

    Yoichi Naruke, Shuichi Kosaka, Takeo Nakano, Gota Kikugawa, Taku Ohara

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　84　584-591　2015/05

    DOI： 10.1016/j.ijheatmasstransfer.2015.01.051 　

    ISSN： 0017-9310

    eISSN： 1879-2189

  74. Influence of computational domain shape in molecular dynamics simulations on self-diffusion coefficient of bulk liquids Peer-reviewed

    Gota Kikugawa, Jo Suzuki, Yoichi Naruke, Takeo Nakano, Taku Ohara

    Proceedings of the Fourth International Symposium on Micro and Nano Technology　2015/05

  75. Effects of molecular structure on microscopic heat transport in chain polymer liquids Peer-reviewed

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　142　(16)　164509　2015/04

    DOI： 10.1063/1.4919313 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  76. Analysis of molecular transport in the solid-liquid interface region based on the kinetic model

    Jo Suzuki, Gota Kikugawa, Takeo Nakano, Taku Ohara

    Proceedings of the 12th International Conference on Flow Dynamics　446-447　2015

  77. Atomistic heat path analysis of heat transfer in chain polymer liquids

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    Proceedings of the 12th International Conference on Flow Dynamics　454-455　2015

  78. Interfacial properties of binary n-alkane mixtures at the liquid-vapor interfaces

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the 12th International Conference on Flow Dynamics　456-457　2015

  79. Molecular dynamics study on thermal resistance of solid-liquid interfaces

    Masahiko Shibahara, Taku Ohara, Gota Kikugawa

    Proceedings of the Fifteenth International Symposium on Advanced Fluid Information　88-89　2015

  80. Kinetic model for transport of liquid molecules in the solid-liquid interface region: a molecular dynamics view Peer-reviewed

    Jo Suzuki, Gota Kikugawa, Takeo Nakano, Taku Ohara

    JSME Mechanical Engineering Letters　1　15-00353　2015

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/mel.15-00353 　

    ISSN： 2189-5236

    More details Close

    Liquid molecules form ordered structures in the vicinity of the solid-liquid interface. Mass transport in the ordered structure exhibits decidedly different characteristics from the ordinary diffusion property governed by Ficks law. In order to analyze mass transport at this nanoscopic scale, we have monitored the PMF (potential of mean force) obtained from the number density of liquid molecules, which corresponds to the free energy change with respect to the molecular migration. Using this PMF profile, the kinetic process model to describe the molecular mobility inside these ordered structures was developed in this study. In order to verify whether the suggested kinetic model works correctly, molecular dynamics (MD) simulations of the liquid-solid interface system were performed. In a simple system consisting of a LJ liquid and flat solid walls, which are modeled by the continuum media interacting with liquid molecules, molecular adsorption and desorption phenomena were observed. In each process in which molecules migrate to the neighboring adsorption layer, the height of the free energy barrier was calculated using the PMF distribution. It was found that the PMF has a dominant influence on the molecular transport perpendicular to the wall and that the developed kinetic model can accurately predict the molecular mobility over the free energy barrier due to the adsorption and desorption process.

  81. 熱流体工学における分子動力学シミュレーション Invited Peer-reviewed

    小原拓, 菊川豪太

    アンサンブル,分子シミュレーション研究会　17　(1)　35-43　2015

    Publisher:

    DOI： 10.11436/mssj.17.35 　

    ISSN： 1884-5088 1884-6750

  82. Effect of the computational domain size and shape on the self-diffusion coefficient in a Lennard-Jones liquid Peer-reviewed

    Gota Kikugawa, Shotaro Ando, Jo Suzuki, Yoichi Naruke, Takeo Nakano, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　142　(2)　024503　2015/01

    DOI： 10.1063/1.4905545 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  83. A molecular dynamics analysis of water/IPA liquid displacement in the vicinity of silica interface Peer-reviewed

    Takeo Nakano, Shuichi Kosaka, Gota Kikugawa, Jo Suzuki, Yoichi Naruke, Taku Ohara

    Proceedings of the Fourth International Symposium on Micro and Nano Technology　2015

  84. Structure and transport properties of liquid alkanes in the vicinity of alpha-quartz surfaces Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　79　846-857　2014/12

    DOI： 10.1016/j.ijheatmasstransfer.2014.08.089 　

    ISSN： 0017-9310

    eISSN： 1879-2189

  85. A molecular dynamics study on heat conduction characteristics inside the alkanethiolate SAM and alkane liquid Peer-reviewed

    Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　78　630-635　2014/11

    DOI： 10.1016/j.ijheatmasstransfer.2014.07.040 　

    ISSN： 0017-9310

    eISSN： 1879-2189

  86. A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent Peer-reviewed

    Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME　136　(10)　102401　2014/10

    DOI： 10.1115/1.4027910 　

    ISSN： 0022-1481

    eISSN： 1528-8943

  87. Thermal Resistance between Nano-Structured Surfaces and Liquids

    Taku Ohara, Masahiko Shibahara, Gota Kikugawa, Hari Krishna Chilukoti

    Proceedings of the 14th International Symposium on Advanced Fluid Information　134-135　2014

  88. Thermal Transport in Lipid Bilayers

    Taku Ohara, Takeo Nakano, Gota Kikugawa

    Proceedings of the Eleventh International Conference on Flow Dynamics　2014

  89. Molecular dynamics study on the influences of nanostructure on the thermal energy transport at a liquid-solid interface Peer-reviewed

    R. Toda, Y. Ueki, M. Shibahara, T. Ohara

    Proceedings of the 25th International Symposium on Transport Phenomena　2014

  90. Structure and transport properties at the liquid-vapor interfaces of binary n-alkane mixtures Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the 25th International Symposium on Transport Phenomena　2014

  91. Molecular dynamics study on influences of surface structural characteristics on thermal energy transport over liquid-solid interfaces Peer-reviewed

    Masahiko Shibahara, Ryohei Toda, Sho Murakami, Taku Ohara

    Proceedings of the 15th International Heat Transfer Conference　2014

    Publisher: Begellhouse

    DOI： 10.1615/ihtc15.mlt.008513 　

  92. Investigation of Thermal Resistance and Heat Conduction at α-Quartz-Liquid Alkane Interfaces Using Nonequilibrium Molecular Dynamics Simulations Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Masahiko Shibahara, Taku Ohara

    Proceedings of the 15th International Heat Transfer Conference　2014

  93. HEAT TRANSFER CHARACTERISTICS OVER THE INTERFACE OF ALKANETHIOLATE SAM AND ALKANE LIQUID Peer-reviewed

    Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    PROCEEDINGS OF THE ASME SUMMER HEAT TRANSFER CONFERENCE - 2013, VOL 1　CD-ROM　2014

    DOI： 10.1115/HT2013-17607 　

  94. Effect of crosslink formation on heat conduction in amorphous polymers Peer-reviewed

    Gota Kikugawa, Tapan G. Desai, Pawel Keblinski, Taku Ohara

    JOURNAL OF APPLIED PHYSICS　114　(3)　034302　2013/07

    DOI： 10.1063/1.4813505 　

    ISSN： 0021-8979

    eISSN： 1089-7550

  95. Molecular Heat Transfer in Lipid Bilayers With Symmetric and Asymmetric Tail Chains Peer-reviewed

    Takeo Nakano, Gota Kikugawa, Taku Ohara

    JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME　135　(6)　1-061301　2013/06

    DOI： 10.1115/1.4023572 　

    ISSN： 0022-1481

    eISSN： 1528-8943

  96. A molecular dynamics study on transport properties and structure at the liquid-vapor interfaces of alkanes Peer-reviewed

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　59　144-154　2013/04

    DOI： 10.1016/j.ijheatmasstransfer.2012.12.015 　

    ISSN： 0017-9310

  97. Preface Peer-reviewed

    Shigenao Maruyama, Taku Ohara

    Journal of Thermal Science and Technology　8　(2)　336　2013

    DOI： 10.1299/jtst.8.336 　

    ISSN： 1880-5566

  98. Crosslinking Effect in Amorphous Polymers on Heat Transfer Characteristics

    Gota Kikugawa, Pawel Keblinski, Taku Ohara

    Proceedings of the Thirteenth International Symposium on Advanced Fluid Information　194-195　2013

  99. Surface Termination Effect on Structure of Decane Liquid in the Vicinity of Alpha-Quartz Surfaces

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the International Conference on Flow Dynamics 2013　2013

  100. Thermal Transport Characteristics over the Interface of Alkanethiol SAM on a Copper Substrate and Water Solvent Peer-reviewed

    Yoichi Naruke, Gota Kikugawa, Takeshi Bessho, Satoshi Takata, Taku Ohara

    Proceedings of the 12th International Symposium on Fluid Control, Measurement and Visualization (FLUCOME2013)　CD-ROM　2013

  101. Study of Alkane Chain Length Influence on Structure and Dynamic Properties at Intrinsic Liquid-Vapour Interfaces Peer-reviewed

    Hari Krishna Chikukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the 12th International Symposium on Fluid Control, Measurement and Visualization (FLUCOME2013)　CD-ROM　2013

  102. Molecular Dynamics Study on the Influences of Nanochannel Geometry on the Energy Transport Mechanism at Liquid-Solid Interfaces Peer-reviewed

    Masahiko Shibahara, Sho Murakami, Taku Ohara

    Proceedings of the 4th International Symposium on Micro and Nanotechnology　CD-ROM　2013

  103. A Molecular Dynamics Study on Effect of Temperature on Diffusion in the Vicinity of an Alpha-Quartz Surface/Alkane Interfaces Peer-reviewed

    Hari Krishna Chikukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the 4th International Symposium on Micro and Nanotechnology　CD-ROM　2013

  104. Molecular dynamics mechanism of thermal energy transport in liquid methane Peer-reviewed

    Joji Haneda, Gota Kikugawa, Taku Ohara

    Proc. 4th International Symposium on Micro and Nanotechnology　CD-ROM　2013

  105. A molecular dynamics study on mass transport properties in the vicinity of SiO2-water/IPA interfaces Peer-reviewed

    Yoichi Naruke, Shuichi Kosaka, Takeo Nakano, Gota Kikugawa, Taku Ohara

    Proceedings of the 4th International Symposium on Micro and Nanotechnology　CD-ROM　2013

  106. Heat Conduction in Amorphous Polymers with Crosslink Formation Peer-reviewed

    Gota Kikugawa, Pawel Keblinski, Taku Ohara

    Proceedings of the 4th International Symposium on Micro and Nanotechnology　CD-ROM　2013

  107. MASS TRANSPORT CHARACTERISTICS OF WATER/IPA AT SILICA-LIQUID INTERFACES Peer-reviewed

    Takeo Nakano, Shuichi Kosaka, Gota Kikugawa, Taku Ohara

    PROCEEDINGS OF THE 11TH INTERNATIONAL CONFERENCE ON NANOCHANNELS, MICROCHANNELS, AND MINICHANNELS, 2013　CD-ROM　2013

    DOI： 10.1115/ICNMM2013-73195 　

  108. Investigation of interfacial properties at α-quartz/alkane interfaces using molecular dynamics simulations Peer-reviewed

    Hari Krishna Chikukoti, Gota Kikugawa, Taku Ohara

    International Journal of Advanced Research in Engineering & Technology　4　(3)　68-76　2013

  109. Molecular dynamics study on the influences of nanostructure geometry on the energy transport and the local non-equilibrium behavior at the liquid-solid interface Peer-reviewed

    Sho Murakami, Masahiko Shibahara, Taku Ohara

    Proceedings of the 8th KSME-JSME Thermal and Fluids Engineering Conference　CD-ROM　2012/03

  110. Preface Peer-reviewed

    Shigenao Maruyama, Taku Ohara

    Journal of Thermal Science and Technology　7　(2)　350　2012

    DOI： 10.1299/jtst.7.350 　

    ISSN： 1880-5566

  111. Molecular Dynamics Simulation of Thermal and Fluid Phenomena Peer-reviewed

    Taku Ohara

    JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS　57　(8)　547-553　2012

    ISSN： 0915-1168

  112. 熱流体現象の分子動力学シミュレーション Invited Peer-reviewed

    小原 拓

    トライボロジスト　57　(8)　547-553　2012

    Publisher:

    ISSN： 0915-1168

  113. Molecular Dynamics Study on the Influences of Nanostructure Geometry on the Energy Transport and Local Non-Equilibrium Behavior at Liquid-Solid Interfaces Peer-reviewed

    S. Murakami, M. Shibahara, T. Ohara

    Proceedings of the 23rd International Symposium on Transport Phenomena　CD-ROM　2012

  114. Molecular Dynamics Simulation of Liquid-Vapor Interfacial Properties of n-Alkanes Peer-reviewed

    Hari Krishna Chikukoti, G. Kikugawa, T. Ohara

    Proceedings of the 3rd International Forum on Heat Transfer　2012

  115. A Molecular Dynamics Study on Molecular Scale Structure and Mass Transport Properties in the Vicinity of SiO2-Water/IPA Interfaces Peer-reviewed

    S. Kosaka, G. Kikugawa, T. Nakano, T. Ohara

    Proceedings of the 3rd International Forum on Heat Transfer　2012

  116. Energy dissipation in non-isothermal molecular dynamics simulations of confined liquids under shear Peer-reviewed

    Hassan Berro, Nicolas Fillot, Philippe Vergne, Takashi Tokumasu, Taku Ohara, Gota Kikugawa

    JOURNAL OF CHEMICAL PHYSICS　135　(13)　134708　2011/10

    DOI： 10.1063/1.3644938 　

    ISSN： 0021-9606

  117. Heat conduction in chain polymer liquids: Molecular dynamics study on the contributions of inter- and intramolecular energy transfer Peer-reviewed

    Taku Ohara, Tan Chia Yuan, Daichi Torii, Gota Kikugawa, Naohiro Kosugi

    JOURNAL OF CHEMICAL PHYSICS　135　(3)　034507　2011/07

    DOI： 10.1063/1.3613648 　

    ISSN： 0021-9606

  118. Preface Peer-reviewed

    Shigenao Maruyama, Taku Ohara

    Journal of Thermal Science and Technology　6　(2)　203　2011

    DOI： 10.1299/jtst.6.203 　

    ISSN： 1880-5566

  119. Effects of the Nanostructural Geometry at a Liquid-Solid Interface on the Interfacial Thermal Resistance and the Liquid Molecular Non-Equilibrium Behaviors Peer-reviewed

    Masahiko Shibahara, Taku Ohara

    JOURNAL OF THERMAL SCIENCE AND TECHNOLOGY　6　(2)　247-255　2011

    DOI： 10.1299/jtst.6.247 　

    ISSN： 1880-5566

  120. Interfacial Heat Transfer Characteristics over the Self-Assembled Monolayer and Solvent Interfaces

    G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto

    7th US-Japan Joint Seminar on Nanoscale Transport Phenomena - Science and Engineering -　44-44　2011

  121. GPU-based adaptive visualization for particle systems Peer-reviewed

    Masato Odagawa, Yuriko Takeshima, Issei Fujishiro, Gota Kikugawa, Taku Ohara

    Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B　77　(781)　1767-1778　2011

    DOI： 10.1299/kikaib.77.1767 　

    ISSN： 0387-5016

  122. 液体中の熱伝導： 分子動力学による一描像 Invited Peer-reviewed

    小原 拓

    伝熱　50　(211)　37-43　2011

  123. Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces Peer-reviewed

    G. Kikugawa, N. Yamamoto, T. Ohara

    Proceedings of the 4th International Conference on Heat Transfer and Fluid Flow in Microscale　CD-ROM　2011

  124. A MOLECULAR DYNAMICS STUDY ON HEAT TRANSFER CHARACTERISTICS OVER THE INTERFACE OF SELF-ASSEMBLED MONOLAYER AND WATER SOLVENT Peer-reviewed

    Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    PROCEEDINGS OF THE ASME/JSME 8TH THERMAL ENGINEERING JOINT CONFERENCE 2011, VOL 3　405-+　2011

  125. EFFECT OF ALKYL CHAIN LENGTH ON MOLECULAR HEAT TRANSFER CHARACTERISTICS IN LIPID BILAYERS Peer-reviewed

    Takeo Nakano, Gota Kikugawa, Taku Ohara

    PROCEEDINGS OF THE ASME/JSME 8TH THERMAL ENGINEERING JOINT CONFERENCE 2011, VOL 3　397-403　2011

  126. EFFECTS OF THE NANOSTRUCTURAL GEOMETRY AT A LIQUID-SOLID INTERFACE ON THE INTERFACIAL THERMAL RESISTANCE AND THE LIQUID MOLECULAR NON-EQUILIBRIUM BEHAVIORS Peer-reviewed

    Masahiko Shibahara, Taku Ohara

    PROCEEDINGS OF THE ASME/JSME 8TH THERMAL ENGINEERING JOINT CONFERENCE 2011, VOL 3　6　(2)　497-+　2011

    DOI： 10.1299/jtst.6.247 　

    ISSN： 1880-5566

  127. Thickness uniformity of spin coated film influenced by nonuniform temperature of substrates Peer-reviewed

    Taku Ohara, Shinichiro Matsubara, Hirotoshi Kadowaki, Gota Kikugawa, Kazuhiro Takeshita, Tomoko Hamada

    International Journal of Emerging Multidisciplinary Fluid Sciences　2　(4)　215-232　2010/12/01

    DOI： 10.1260/1756-8315.2.4.215 　

    ISSN： 1756-8315

  128. A molecular dynamics study on heat conduction characteristics in DPPC lipid bilayer Peer-reviewed

    Takeo Nakano, Gota Kikugawa, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　133　(15)　154705　2010/10

    DOI： 10.1063/1.3481650 　

    ISSN： 0021-9606

  129. 自己組織化単分子膜のための粒子配置設計支援システム Invited

    TAKESHIMA Yuriko, NIIZAKA Takuma, KIKUGAWA Gota, OHARA Taku, FUJISHIRO Issei

    第38回可視化情報シンポジウム講演論文集　30　(1)　277-280　2010/07/21

    Publisher: 可視化情報学会

  130. T0501-1-2 Two-Dimensional Free Energy Surface along Solute Transport at the Interface of Oxide Solid and Water

    Kikugawa Gota, Kato Junpei, Ohara Taku

    The proceedings of the JSME annual meeting　2010　71-72　2010

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2010.8.0_71 　

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    In this paper, we investigated mass transfer of Fe^<2+> ions adjacent to the magnetite (Fe_3O_4) solid surface from the microscopic viewpoint by using the molecular dynamic simulations. Not only mass transfer characteristic across the interface, but also that along the interface has to be elucidated in order to predict the strict transport path and diffusion process of ions in the vicinity of the interface. Therefore, we here evaluated two-dimensional free energy surface along the interface according to the ion translation. With Fe^<2+> ions fixed at a certain surface separation distance (SSD), the umbrella sampling/WHAM (weighted histogram analysis method) procedure which can be applied to two-dimensional space was adopted for free energy calculations. As a result, it was found that the free energy surface is significantly influenced by the surface charge distribution of the magnetite surface.

  131. T0501-1-1 A Molecular Dynamics Study of Influential Factors on Interfacial Thermal Resistance at Solid-Liquid Interface Modified by Self-Assembled Monolayer

    KAWAGUCHI Touru, KIKUGAWA Gota, KINEFUCHI Ikuya, YATSUZUKA Shinichi, OHARA Taku, MATSUMOTO Yoichiro

    The proceedings of the JSME annual meeting　2010　69-70　2010

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2010.8.0_69 　

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    We studied the influential factors on heat transfer at Au-toluene interface modified by dodecanethiol self-assembled monolayer (SAM). The thermal boundary conductance was calculated for different temperatures using nonequilibrium molecular dynamics simulation. As a result, the overall thermal boundary conductance at Au-SAM-toluene interface decreases as the temperature increases. We analyzed the temperature dependence of SAM structure and discussed the relation between SAM structure and thermal boundary conductance.

  132. T0501-2-1 A Molecular Dynamics Study on Momentum Transfer Characteristics of Lipid Bilayer in Shear Flows

    Nakano Take, Kikugawa Gota, Ohara Taku

    The proceedings of the JSME annual meeting　2010　81-82　2010

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2010.8.0_81 　

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    Nonequilibrium molecular dynamics simulations were conducted for lipid bilayers with ambient water under two directions of shear flow along the bilayer plane to investigate mechanisms of momentum transfer characteristics in the membranes. Under a shear flow parallel to the bilayer plane, intermolecular interaction contributes to momentum flux positively in the lipid tail area, while negative flux due to intramolecular interaction arises. In the lipid head area, positive and negative contributions of each interaction invert. Under a shear flow perpendicular to the bilayer plane, the largest fraction to total momentum flux in the lipid bilayer is in the lipid head groups. This indicates that the contribution of the head group is the most dominant to surface shear viscosity in the lipid bilayer.

  133. Molecular-Scale Mechanism of Thermal Resistance at the Solid-Liquid Interfaces: Influence of Interaction Parameters Between Solid and Liquid Molecules Peer-reviewed

    Daichi Torii, Taku Ohara, Kenji Ishida

    JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME　132　(1)　2010/01

    DOI： 10.1115/1.3211856 　

    ISSN： 0022-1481

  134. Heat Transfer Characteristics at the SAM Interface of Self-Assembled Monolayer with Hydrophobic and Hydrophilic Termini and Solvent

    G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto

    Proc. 7th International Conference on Flow Dynamics　370-371　2010

  135. Molecular Momentun Transfer Characteristics of Liquid Behaviors in Shear Flows

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. 7th International Conference on Flow Dynamics　368-369　2010

  136. Assesment of Different Thermostating Techniques in the Simulation of Molecular Lubrication

    H. Berro, T. Tokumasu, T. Ohara, G. Kikugawa, N. Fillot, P. Vergne

    Proceedings of the 10th International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　128-129　2010

  137. Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study Peer-reviewed

    Toru Kawaguchi, Gota Kikugawa, Ikuya Kinefuchi, Shinichi Yatsuzuka, Taku Ohara, Yoichiro Matsumoto

    Nihon Kikai Gakkai Ronbunshu, C Hen/Transactions of the Japan Society of Mechanical Engineers, Part C　76　(768)　1936-1938　2010

    Publisher: Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaic.76.1936 　

    ISSN： 0387-5024

  138. 長鎖ポリマー液体の熱伝導率：分子間及び分子内エネルギー伝搬の寄与についての分子動力学的研究 Peer-reviewed

    タンチアユアン, 鳥居大地, 小杉直央, 菊川豪太, 小原拓

    熱物性　24　(3)　134-140　2010

    Publisher: JAPAN SOCIETY OF THERMOPHYSICAL PROPERTIES

    DOI： 10.2963/jjtp.24.134 　

    ISSN： 0913-946X

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    In this paper, we discuss the molecular mechanisms which determine the thermal conductivity of long chain polymer liquids according to the results observed in molecular dynamics simulations. Linear chain n-alkane, which is a typical polymer molecule, was chosen as our target of studies and non-equilibrium molecular dynamics (NEMD) simulations of bulk liquid n-alkanes under a constant temperature gradient and heat flux inside the simulation system were performed. Saturated liquids of 6 different chain length n-alkanes at the same reduced temperature (0.7Tc) were studied and the contributions of inter- and intramolecular energy transfer, which have been defined as the components of heat flux by the authors previous theoretical study, were observed. The results show that in n-alkane liquids, the contribution of intramolecular energy transfer to the total heat flux as compared with the contribution of intermolecular energy transfer at the same reduced temperature and saturated density increases as the molecular length increases. It is revealed that in long chain polymer liquids, thermal energy is mainly transferred in the space along firm intramolecular bonds.

  139. MOLECULAR DYNAMICS STUDY OF INTERFACIAL THERMAL RESISTANCE OF MERCAPTO-ALKANOL SELF-ASSEMBLED MONOLAYER AND WATER Peer-reviewed

    Touru Kawaguchi, Gota Kikugawa, Ikuya Kinefuchi, Taku Ohara, Shinichi Yatuzuka, Yoichiro Matsumoto

    MNHMT2009, VOL 2　217-221　2010

  140. A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent Peer-reviewed

    Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Eiichi Torigoe, Yasumasa Hagiwara, Yoichiro Matsumoto

    JOURNAL OF CHEMICAL PHYSICS　130　(7)　074706　2009/02

    DOI： 10.1063/1.3077315 　

    ISSN： 0021-9606

  141. T0501-1-5 Effects of Intramolecular Energy Transfer on Heat Transport Characteristic in Polymer Liquids

    Tan Chia Yuan, Kosugi Naohiro, Torii Daichi, Kikugawa Gota, Ohara Taku

    The proceedings of the JSME annual meeting　2009　103-104　2009

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2009.8.0_103 　

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    Molecular dynamics simulations have been performed to investigate the effects of intramolecular energy transfer on heat conduction characteristics in bulk liquids of n-alkanes with several chain lengths. A simulation system which consists of a rectangular basic cell, where the periodic boundary condition is applied in all directions, is filled with n-alkane molecules. Artificially 'hot' and 'cold' slabs are placed at the middle and at both sides of the cell to generate constant heat energy flux in the system. Contributions of molecular motion and molecular interaction to thermal energy flux are measured in detail by applying a mathematical expression for thermal energy flux in molecular dynamic system which is extended to many-body potentials. The results show that the contribution of intramolecular energy transfer to the total thermal energy flux in n-alkane liquids increases with the extension of the molecular length when compared at the same reduced temperature and the saturation densities.

  142. T0501-4-3 3-D Computational Simulation of Coating Liquid Film Flow

    KADOWAKI Hirotoshi, MATSUBARA Shinichiro, KIKUGAWA Gota, OHARA Taku

    The proceedings of the JSME annual meeting　2009　135-136　2009

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2009.8.0_135 　

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    The transient process of a liquid film flow that covers a rotating substrate in the spin coating process was analyzed by a 3-D computational simulation using the finite difference method. Evaporation of solvent and change of thermophysical properties such as viscosity was taken into account The case of nonuniform temperature distribution of the substrate was analyzed applying ring-like and spot-like high temperature region on the substrate, and it was concluded that hot ring/spot on the substrate results in large final film thickness on those ring/spot. As a special case of the spin coating, the drying process of the coating liquid on a substrate that was not rotating was also simulated, and it was found that the hot range on the substrate produces complicated profiles of the final film thickness.

  143. T0501-1-3 Molecular Dynamics Simulation of Ion Transport in water of solid surface neighborhood

    KATO Junpei, KIKUGAWA Gota, OHARA Taku, CHIAYUAN Tan

    The proceedings of the JSME annual meeting　2009　99-100　2009

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2009.8.0_99 　

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    Molecular dynamics simulations of the magnetite-water interface with eluted ions(Fe^<2+>, Fe(OH)_2 ) were performed in order to estimate free energy profile of the ions across the interface. The purpose of examining the free energy profile is to discuss mass transfer characteristics in the vicinity of interface. The free energy profile was calculated by using the umbrella sampling and WHAM procedure. From the calculation, we show that in the case of Fe^<2+> ion, a high free energy barrier exist at the solvent surface. On the other hand, in the case of Fe(OH)_2, the free energy barrier is not recognized because the strong coulomb interaction between hydroxyl group of Fe(OH)_2 and the magnetite surface contributes decrease of the energy barrier.

  144. T0501-1-6 A Molecular Dynamics Study on Heat Transfer Characteristics at the SAM Phase and SAM Interface

    Kikugawa Gota, Mochimaru Takato, Ohara Taku, Kawaguchi Toru, Matsumoto Yoichiro

    The proceedings of the JSME annual meeting　2009　105-106　2009

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2009.8.0_105 　

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    In this paper, we focused on heat transfer characteristics in the self-assembled monolayer (SAM) system with elucidating the dominant contribution of the molecular interactions to the heat transfer in each constituent phase, i.e., the alkanethiolate SAM phase, the interface of SAM and solvent, and alkane solvent phase. By using direct nonequilibrium molecular dynamics simulations, in which the temperature gradient was imposed across the SAM interface, each component of heat flux vector, which is transferred by molecular interactions including intra- and intermolecular interactions, were separately measured. Moreover, in order to investigate the effect of the SAM modification on thermal boundary resistance of the solid-liquid interface, the bare solid interface without the SAM was examined as well. As a result, the thermal boundary resistance at the SAM interface is much lower than that at the bare solid interface.

  145. T0501-1-2 A Molecular Dynamics Study on Anisotropy of Momentum Transport Characteristics of Lioid Bilavers in Shear Flows

    Nakano Take, Kikugawa Gota, Ohara Taku

    The proceedings of the JSME annual meeting　2009　97-98　2009

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2009.8.0_97 　

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    Nonequilibrium molecular dynamics simulations were performed for lipid bilayers with ambient water under two shear flows along the bilayer plane to investigate mechanisms of heat generation and momentum transfer characteristics in the membranes. Under parallel shear flow to the bilayer, temperature rises by viscous heating in water layer and by frictional heating at the interface between two lipid monolayers. In the lipid tail area, intermolecular interaction contributes to momentum flux positively, while negative flux due to intramolecular interaction arises. In the lipid head area, positive and negative contributions of each interaction inverts. Under perpendicular shear flow to the bilayer, temperature of lipid is higher than that of water because of the difference of heat production by viscous heating and thermal conductivity. Momentum is dominantly transferred by intra- and intermolecular interaction between lipids. From the both simulations, friction coefficient at the interface of lipid acyl chains and surface shear viscosity of lipid are evaluated.

  146. The Effect of Different Thermostating Techniques on Friction and Dissipation in Molecular Dynamics Simulations of Confined Lubrication Films

    Hassan Berro, Nicoas Fillot, Philippe Vergne, Takashi Tokumasu, Taku Ohara, Gota Kikugawa

    Proc. of the World Tribology Congress 2009　622　2009

  147. Heat Transfer Characteristics inside the SAM layer and at the SAM interface

    Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    Proc. 6th International Conference on Flow Dynamics　534-535　2009

  148. Thermal conductivity of silicon nanowire by nonequilibrium molecular dynamics simulations Peer-reviewed

    Shuai-chuang Wang, Xin-gang Liang, Xiang-hua Xu, Taku Ohara

    JOURNAL OF APPLIED PHYSICS　105　(1)　14316　2009/01

    DOI： 10.1063/1.3063692 　

    ISSN： 0021-8979

  149. SAM–溶媒界面の界面熱抵抗に関する分子動力学的研究 Peer-reviewed

    菊川豪太, 小原拓, 川口暢, 鳥越栄一, 萩原康正, 松本洋一郎

    日本機械学会論文集B編　75　(749)　146-154　2009

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.75.749_146 　

    ISSN： 0387-5016

    More details Close

    In this paper, we perform molecular dynamics (MD) simulations of the interfaces composed of the self-assembled monolayer (SAM) and organic solvent in order to investigate the interfacial heat transfer characteristics of SAMs from the microscopic viewpoint. Archetypal SAMs, i.e., alkanethiol molecules chemically adsorbed on Au (111) substrate, and toluene solvent are adopted for the computational system. Two alkanethiols with different chain lengths, that is, 1-propanethiol (C_3H_7SH) and 1-dodecanethiol (C_<12>H_<25>SH), are used for SAM interface systems. In addition to the SAM interfaces, bare solid substrate without SAM are examined for comparison of the heat transfer characteristics. Nonequilibrium MD (NEMD) simulations in which a temperature gradient is imposed across the interface are performed and the interfacial thermal resistance in each system is discussed. As a result, it is shown that the SAM-solvent interfaces have the smaller thermal resistance as compared with that at the bare Au interface. In order to investigate the mechanisms of the small resistance at SAM-solvent interface, a vibrational character of molecules in the interface region and an adsorbed structure of solvent molecules are discussed.

  150. Heat transfer characteristics inside the SAM layer and at the SAM interfaces with organic solvents Peer-reviewed

    Gota Kikugawa, Takahito Mochimaru, Taku Ohara, Toru Kawaguchi, Yoichiro Matsumoto

    Proceedings of 2nd Asian Symposium on Computational Heat Transfer and Fluid Flow　CD-ROM　225-229　2009

  151. A molecular dynamics Study on lipid bilayers in shear flows Peer-reviewed

    Takeo Nakano, Gota Kikugawa, Taku Ohara

    Proceedings of 2nd Asian Symposium on Computational Heat Transfer and Fluid Flow　CD-ROM　220-224　2009

  152. 数万オーダ粒子系のイメージベース可視化 Invited

    小田川 雅人, 竹島 由里子, 藤代 一成, 菊川 豪太, 小原 拓

    第３６回可視化情報シンポジウム講演論文集　28　(1)　73-74　2008/07

    Publisher: 可視化情報学会

    ISSN： 0916-4731

  153. Molecular-scale heat transfer in liquids and at liquid-solid interfaces: Toward the quality evaluation of heat flux Invited Peer-reviewed

    Taku Ohara

    JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE　5　(2)　175-186　2008/02

    ISSN： 1546-1955

  154. 505 Energy and Momentum Transfer Characteristics at Solid-Liquid Interfaces of Alkane Liquids

    Tan Chia Yuan, Torii Daichi, Kikugawa Gota, Ohara Taku

    The proceedings of the JSME annual meeting　2008　209-210　2008

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2008.8.0_209 　

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    Molecular dynamics simulations have been performed on ultra-thin liquid film which is sheared between two solid surfaces to clarify the mechanisms and characteristics of momentum and thermal energy transfer at solid-liquid interface. Four types of crystal plane of FCC lattice were examined for the surface of platinum solid wall and four types of n-alkane were employed as liquid. It was found that transfer characteristics of thermal energy and momentum at the solid-liquid interfaces were significantly influenced by the types of crystal plane of the solid surface and the length of the n-alkanes.

  155. 507 A Molecular Dynamics study on Thermal Boundary Resistance at SAM-solvent Interfaces

    Kikugawa Gota, Ohara Taku, Kawaguchi Toru, Torigoe Eiichi, Hagiwara Yasumasa, Matsumoto Yoichiro

    The proceedings of the JSME annual meeting　2008　213-214　2008

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2008.8.0_213 　

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    In this paper, we perform molecular dynamics simulations of self-assembled monolayer (SAM) and solvent interfaces in order to elucidate the microscopic mechanisms of interfacial heat transfer at the SAM interfaces. Archetypal SAM systems, i.e., n-alkanethiol chemically adsorbed on Au (111), and toluene solvent are employed in our simulations. By using nonequilibrium molecular dynamics technique, a temperature gradient is imposed perpendicular to the interface, and interfacial heat transfer characteristics are analyzed. In addition to the SAM systems, a bare solid substrate and solvent system is examined to compare thermal boundary resistances at the SAM-modified interface and non-modified one. As a result, we find a significant decrease of the thermal boundary resistance at the SAM-toluene interface as compared to that of the bare Au interface. In order to explain this effect, we focus on the adsorption structure of toluene in the vicinity of the interface.

  156. Contribution of inter- and intramolecular energy transfers to heat conduction in liquids Peer-reviewed

    Daichi Torii, Takeo Nakano, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　128　(4)　44504　2008/01

    DOI： 10.1063/1.2821963 　

    ISSN： 0021-9606

  157. Study on Molecular Thermal Energy Transfer in a Lipid Bilayer Peer-reviewed

    Takeo Nakano, Taku Ohara, Gota Kikugawa

    JOURNAL OF THERMAL SCIENCE AND TECHNOLOGY　3　(3)　421-429　2008

    DOI： 10.1299/jtst.3.421 　

    ISSN： 1880-5566

  158. A Molecular Dynamics Study on the Local Structure of Liquid-Vapor Interface of Water and L-J Fluid Peer-reviewed

    Gota Kikugawa, Shu Takagi, Yoichiro Matsumoto, Taku Ohara

    JOURNAL OF THERMAL SCIENCE AND TECHNOLOGY　3　(2)　234-240　2008

    DOI： 10.1299/jtst.3.234 　

    ISSN： 1880-5566

  159. Ion transport by the thermally rectified Brownian ratchet Peer-reviewed

    Taku Ohara, Takeo Nakano, Daichi Torii

    NANOSCALE AND MICROSCALE THERMOPHYSICAL ENGINEERING　12　(2)　144-153　2008

    DOI： 10.1080/15567260802171911 　

    ISSN： 1556-7265

  160. Molecular dynamics study on lipid-bilayer membranes in shear flow Peer-reviewed

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. The Seventh JSME-KSME Thermal and Fluids Engineering Conference　CD-ROM　2008

  161. Thermal boundary resistance at the interface of self-assembled monolayers Peer-reviewed

    G. Kikugawa, T. Kawaguchi, T. Ohara, E. Torigoe, Y. Hagiwara, Y. Matsumoto

    Proc. The Seventh JSME-KSME Thermal and Fluids Engineering Conference, Sapporo　CD-ROM　2008

  162. Molecular dynamics study on ultrathin liquid water film sheared between platinum solid walls: Liquid structure and energy and momentum transfer Peer-reviewed

    Daichi Torii, Taku Ohara

    JOURNAL OF CHEMICAL PHYSICS　126　(15)　154706　2007/04

    DOI： 10.1063/1.2719699 　

    ISSN： 0021-9606

  163. Molecular scale mechanism of thermal resistance at solid-liquid interfaces (influence of interaction parameters between solid and liquid molecules) Peer-reviewed

    Daichi Toril, Taku Ohara, Kenji Ishida

    PROCEEDINGS OF THE ASME/JSME THERMAL ENGINEERING SUMMER HEAT TRANSFER CONFERENCE 2007, VOL 1　132　(1)　23-31　2007

  164. Molecular heat conduction in liquid alkane: Contribution of inter- and intramolecular energy transfer Peer-reviewed

    Daichi Torii, Taku Ohara, Takehiro Matsuzaka

    Proc. 5th International Conference on Heat Transfer, Fluid Mechanics and Thermodynamics　CD-ROM　2007

  165. A molecular dynamics study on the local structure of liquid-vapor interface of water and L-J fluid Peer-reviewed

    Gota Kikugawa, Shu Takagi, Yoichiro Matsumoto, Taku Ohara

    PROCEEDINGS OF THE ASME/JSME THERMAL ENGINEERING SUMMER HEAT TRANSFER CONFERENCE 2007, VOL 1　CD-ROM　91-96　2007

    DOI： 10.1115/HT2007-32722 　

  166. Study on molecular thermal energy transfer in a lipid bilayer Peer-reviewed

    Takeo Nakano, Taku Ohara, Gota Kikugawa

    PROCEEDINGS OF THE ASME/JSME THERMAL ENGINEERING SUMMER HEAT TRANSFER CONFERENCE 2007, VOL 1　CD-ROM　59-63　2007

    DOI： 10.1115/HT2007-32635 　

  167. Molecular scale mechanism of thermal resistance at solid-liquid interfaces (influence of interaction parameters between solid and liquid molecules) Peer-reviewed

    Daichi Toril, Taku Ohara, Kenji Ishida

    PROCEEDINGS OF THE ASME/JSME THERMAL ENGINEERING SUMMER HEAT TRANSFER CONFERENCE 2007, VOL 1　CD-ROM　23-31　2007

    DOI： 10.1115/HT2007-32391 　

  168. 液体／固液界面／気液界面の構造と輸送 Invited Peer-reviewed

    小原 拓, 菊川豪太

    フルードパワーシステム　38　(5)　233-238　2007

  169. 多体ポテンシャルによる液体中の熱伝導（分子内及び分子間エネルギー伝搬の寄与） Peer-reviewed

    鳥居大地, 中野雄大, 小 原拓

    日本機械学会論文集B編　73　(734)　2122-2199　2007

    DOI： 10.1299/kikaib.73.2122 　

  170. Transport of ions by the thermally anisotropic Brownian ratchet microchip Peer-reviewed

    Taku Ohara, Takeo Nakano, Daichi Torii

    International Journal of Transport Phenomena　9　41-53　2007

  171. Transport of ions by the thermally anisotropic Brownian ratchet microchip Peer-reviewed

    Taku Ohara, Takeo Nakano, Daichi Torii

    Proc. 17th Internatioinal Symposium on Transport Phenomena　CD-ROM　2006

  172. Solid-liquid boundary resistance: A molecular dynamics study on intermolecular energy transfer at solid-liquid interfaces Peer-reviewed

    Daichi Torii, Taku Ohara, kenji Ishida

    Proc. 13th International Heat Transfer Conference　CD-ROM　2006

  173. Molecular thermal phenomena in an ultrathin lubrication liquid film of linear molecules between solid surfaces Peer-reviewed

    T Ohara, D Torii

    MICROSCALE THERMOPHYSICAL ENGINEERING　9　(3)　265-279　2005/07

    DOI： 10.1080/10893950500196386 　

    ISSN： 1089-3954

  174. Molecular dynamics study of thermal phenomena in an ultrathin liquid film sheared between solid surfaces: The influence of the crystal plane on energy and momentum transfer at solid-liquid interfaces Peer-reviewed

    T Ohara, D Torii

    JOURNAL OF CHEMICAL PHYSICS　122　(21)　214717　2005/06

    DOI： 10.1063/1.1902950 　

    ISSN： 0021-9606

  175. 熱伝導の「質」についての一考察 Invited Peer-reviewed

    小原 拓

    熱物性　19　(3)　181-184　2005

  176. Molecular dynamics study on ultra-thin liquid film sheared between solid surfaces (Influence of the crystal plane to energy and momentum transfer at the solid-liquid interfaces) Peer-reviewed

    Daichi Torii, Taku Ohara

    Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B　71　(710)　2507-2514　2005

    Publisher: Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.71.2507 　

    ISSN： 0387-5016

  177. Molecular thermal and fluid phenomena in an ultrathin lubrication liquid film Peer-reviewed

    Taku Ohara, Daichi Torii

    Proc. 1st International Symposium on Micro & Nano Technology, the Pacific Center of Thermal-Fluids Engineering　CD-ROM　2004

  178. Transport of biomolecules in the ratcheting electrophoresis microchip (REM) Peer-reviewed

    T Ohara, D Torii, A Majumdar, K Dunphy

    JSME INTERNATIONAL JOURNAL SERIES B-FLUIDS AND THERMAL ENGINEERING　46　(4)　593-599　2003/11

    DOI： 10.1299/jsmeb.46.593 　

    ISSN： 1340-8054

  179. Effect of molecular elongation on the thermal conductivity of diatomic liquids Peer-reviewed

    T Tokumasu, T Ohara, K Kamijo

    JOURNAL OF CHEMICAL PHYSICS　118　(8)　3677-3685　2003/02

    DOI： 10.1063/1.1540089 　

    ISSN： 0021-9606

  180. Investigation of Thermal Conductivity of Diatomic Liquid by Molecular Dynamics Method Peer-reviewed

    Takashi Tokumasu, Taku Ohara, Kenjiro Kamijo

    Nippon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B　69　(683)　1644-1650　2003

    Publisher: Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.69.1644 　

    ISSN： 0387-5016

  181. Energy and momentum transfer in an ultrathin liquid film under shear between solid surfaces Peer-reviewed

    T Ohara, T Yatsunami

    MICROSCALE THERMOPHYSICAL ENGINEERING　7　(1)　1-13　2003/01

    DOI： 10.1080/10893950390150412 　

    ISSN： 1089-3954

  182. Shock wave relation containing lane change source term for two-lane traffic flow Peer-reviewed

    A Sasoh, T Ohara

    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　71　(9)　2339-2347　2002/09

    DOI： 10.1143/JPSJ.71.2339 　

    ISSN： 0031-9015

  183. Rapid separation and manipulation of DNA by a Ratcheting Electrophoresis Microchip (REM) Peer-reviewed

    Katherine Dunphy, Veljko Milanovic, Samantha Andrews, Taku Ohara, Arun Majumdar

    ASME International Mechanical Engineering Congress and Exposition, Proceedings　419-423　2002

    Publisher: American Society of Mechanical Engineers (ASME)

    DOI： 10.1115/IMECE2002-33564 　

  184. 二原子分子流体の熱物性に回転自由度が及ぼす影響

    徳増崇, 上條謙二郎, 小原拓, 松本洋一郎

    日本機械学会2002年度年次大会講演論文集(IV)　2002　33-34　2002

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmemecjo.2002.4.0_33 　

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    In this paper the effect of rotational degree of freedom on the properties of liquid is analyzed by the Molecular Dynamics (MD) Method. Oxygen is assumed as the liquid and molecules are assumed as both monatomic and diatomic one. 2 center Lennard-Jones (2CLJ) potential is assumed as the intermolecular potential for diatomic molecules and Lennard-Jones (LJ) potential is used for monatomic molecule. Simulations are performed at various combinations of density and temperature and an Equation of State (EOS) of each liquid is obtained by using these results. The parameters of each potential are determined so that the critical temperature and density are consistent with each other. The properties of liquid such as, latent heat, specific heat, thermal conductivity and surface tension are compared with each other and the effect of rotational degree of freedom on the properties of liquid is investigated.

  185. 熱流体工学における分子動力学（第4回） Invited Peer-reviewed

    徳増 崇, 小原 拓

    日本数値流体力学会誌　10　41-46　2002

  186. Molecular dynamics study for thermodynamic properties of diatomic fluid (the effect of rotational degree of freedom on properties of fluid) Peer-reviewed

    Takashi Tokumasu, Kenjiro Kamijo, Taku Ohara, Yoichiro Matsumoto

    Nippon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B　68　(668)　1227-1234　2002

    Publisher: Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.68.1227 　

    ISSN： 0387-5016

  187. Intermolecular momentum transfer in a simple liquid and its contribution to shear viscosity Peer-reviewed

    T Ohara, D Suzuki

    MICROSCALE THERMOPHYSICAL ENGINEERING　5　(2)　117-130　2001/04

    DOI： 10.1080/108939501750397463 　

    ISSN： 1089-3954

  188. G214 Ratcheting Electrophoresis of Biomolecules by a Microchip

    OHARA Taku, Majumdar Arun

    Proceedings of thermal engineering conference　2001　631-632　2001

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmeptec.2001.0_631 　

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    A ratcheting electrophoresis microchip (REM), a novel microdevice that can separate biomolecules such as DNA and proteins in aqueous solution using low applied voltages as low as 1 V, is introduced in the present report. The device consists of several thousands of parallel linear electrodes with a pitch of 10 μm typically, which is produced easily by the microlithography technique. A spatial saw-tooth potential distribution is generated by the electrode array, which works to drive charged analyte molecules to migrate in the electrophoresis fashion. Results of simple 1-D simulations suggest the REM can function as a molecular filter through which only molecules having mobility larger than a desired threshold can pass. The REM can also be programmed to separate molecules to create a molecular profile, much like conventional electrophoresis. 2-D simulations for a real device, which consider molecular diffusion, transient development of diffuse-electric double layers near the electrodes as well as electrophoretic migration of analyte molecules, are also performed and feasibility of this chip is proved.

  189. Ratcheting electrophoresis microchip (REM) for programmable transport and separation of macromolecules Peer-reviewed

    Taku Ohara, Arun Majumdar

    Proc. ASME International Mechanical Engineering Congress and Exposition, MEMS　3　619-628　2001

  190. 熱流体工学における分子動力学（第3回） Invited Peer-reviewed

    徳増 崇, 小原 拓

    日本数値流体力学会誌　9　177-182　2001

  191. 熱流体工学における分子動力学（第2回） Invited Peer-reviewed

    徳増 崇, 小原 拓

    日本数値流体力学会誌　9　122-127　2001

  192. 熱流体工学における分子動力学（第1回） Invited Peer-reviewed

    徳増 崇, 小原 拓

    日本数値流体力学会誌　9　89-94　2001

  193. 液体水における分子間エネルギー伝搬とその熱伝導への寄与に関する分子動力学的研究 Invited

    小原 拓

    ながれ　20　159-164　2001

  194. 「拡散項３兄弟」を考える Invited Peer-reviewed

    小原 拓

    伝熱,日本伝熱学会　40　(160)　38-43　2001

    Publisher: The Heat Transfer Society of Japan

    DOI： 10.11368/htsj1999.40.38 　

    ISSN： 0910-7851

  195. バイオ分子解析のためのラチェット式電気泳動マイクロチップ Peer-reviewed

    小原 拓, Arun Majumdar

    Thermal Science and Engineering　9　(3)　37-47　2001

  196. Molecular dynamics study in microscale thermophysical engineering: Current activities and future in Japan Invited Peer-reviewed

    T Ohara

    MICROSCALE THERMOPHYSICAL ENGINEERING　4　(4)　213-221　2000/10

    ISSN： 1089-3954

  197. Intermolecular energy transfer at a solid-liquid interface Peer-reviewed

    T Ohara, D Suzuki

    MICROSCALE THERMOPHYSICAL ENGINEERING　4　(3)　189-196　2000/07

    ISSN： 1089-3954

  198. Molecular dynamics study on the cluster structure of the 2-D LJ fluid and water Peer-reviewed

    Taku Ohara, Toru Watanabe

    Heat Transfer - Asian Research　29　(3)　218-232　2000

    DOI： 10.1002/(SICI)1523-1496(200005)29:3<218::AID-HTJ6>3.0.CO;2-6 　

    ISSN： 1099-2871

  199. Molecular dynamics study on molecule-to-molecule energy transfer in fluid water Peer-reviewed

    Taku Ohara, Hiroshi Odagiri

    International Journal of Heat and Technology　18　31-36　2000

  200. Contribution of intermolecular energy transfer to heat conduction in a simple liquid Peer-reviewed

    T Ohara

    JOURNAL OF CHEMICAL PHYSICS　111　(21)　9667-9672　1999/12

    DOI： 10.1063/1.480338 　

    ISSN： 0021-9606

  201. Intermolecular energy transfer in liquid water and its contribution to heat conduction: A molecular dynamics study Peer-reviewed

    T Ohara

    JOURNAL OF CHEMICAL PHYSICS　111　(14)　6492-6500　1999/10

    DOI： 10.1063/1.480025 　

    ISSN： 0021-9606

  202. Molecular mechanism of energy and momentum transfer in liquids Peer-reviewed

    Taku Ohara, Daigo Suzuki

    Thermal Science and Engineering　7　(6)　1-8　1999

  203. Molecular dynamics study on structure of water around an ion Peer-reviewed

    Taku Ohara, Toru Watanabe

    Proc. 5th ASME-JSME Thermal Engineering Joint Conference　CD-ROM　1999

  204. 熱伝導の機構をさぐる Invited Peer-reviewed

    小原 拓

    熱物性　13　(2)　102-112　1999

  205. Transition from boiling to free convection in supercritical fluid Peer-reviewed

    J Tamba, T Takahashi, T Ohara, T Aihara

    EXPERIMENTAL THERMAL AND FLUID SCIENCE　17　(3)　248-255　1998/07

    DOI： 10.1016/S0894-1777(97)10062-0 　

    ISSN： 0894-1777

    eISSN： 1879-2286

  206. Molecular dynamics study on molecule-to-molecule energy transfer in fluid water Peer-reviewed

    Taku Ohara, Hiroshi Odagiri

    Proc. Eurotherm Seminar No.57, Microscale Heat Transfer　121-127　1998

  207. Molecular Dynamics Study on Cluster Structure of 2-D LJ Fluid and Water Peer-reviewed

    OHARA Taku

    Trans. Japan Society of Mechanical Engineers, Ser. B　64　(626)　3414-3422　1998

    DOI： 10.1299/kikaib.64.3414 　

  208. Analysis of particle motion in a very shallow fluidized bed Peer-reviewed

    U Schaflinger, T Aihara, T Gruber, U Weingerl, T Ohara, W Schneider

    INTERNATIONAL JOURNAL OF MULTIPHASE FLOW　23　(3)　455-471　1997/06

    DOI： 10.1016/S0301-9322(96)00082-1 　

    ISSN： 0301-9322

    eISSN： 1879-3533

  209. Heat-transfer and defrosting characteristics of a horizontal array of cooled tubes immersed in a very shallow fluidized bed Peer-reviewed

    T Aihara, T Ohara, T Shimoyama, H Kitano

    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER　40　(8)　1807-1815　1997/05

    DOI： 10.1016/S0017-9310(96)00258-X 　

    ISSN： 0017-9310

  210. Overall performance of a heat sink-fan/pump unit and its optimum design

    Toshio Aihara, Taku Ohara, Akira Sasago

    Heat Transfer - Asian Research　26　(8)　515-527　1997

    Publisher: John Wiley and Sons Inc.

    DOI： 10.1002/(sici)1520-6556(1997)26:8<515::aid-htj2>3.0.co;2-z 　

    ISSN： 1099-2871

  211. A turbulent two-phase jet in a very shallow fluidized bed Peer-reviewed

    T Gruber, U Schaflinger, T Aihara, T Ohara

    ZEITSCHRIFT FUR ANGEWANDTE MATHEMATIK UND MECHANIK　77　S107-S108　1997

    ISSN： 0044-2267

  212. MD study on microscopic structure of water in bulk liquid and liquid-vapor interface regions Peer-reviewed

    Taku Ohara, Toshio Aihara

    Proc. JSME Centennial Grand Congress, International Conference on Fluid Engineering　3　1491-1496　1997

  213. MD study on dynamic structure of water Peer-reviewed

    Taku Ohara, Toshio Aihara

    Proc. International Center for Heat and Mass Transfer (ICHMT) Symposium on Molecular and Microscale Heat Transfer in Materials Processing and Other Applications　1　75-84　1997

  214. MD study on interfacelike phenomena in supercritical fluid Peer-reviewed

    J Tamba, T Ohara, T Aihara

    MICROSCALE THERMOPHYSICAL ENGINEERING　1　(1)　19-30　1997/01

    ISSN： 1089-3954

  215. Rapid Transient Boiling Heat-Transfer from a Coated Strip Horizontally Placed in Liquid Helium-I Peer-reviewed

    KOMURA Akiyoshi, OKADA Sadayuki, AIHARA Toshio, OHARA Taku, YAMAMOTO Hiroe

    Cryogenic engineering　32　(2)　66-72　1997

    Publisher:

    DOI： 10.2221/jcsj.32.66 　

    ISSN： 0389-2441

  216. Augumentation of free-convection heat transfer between vertical parallel plates by inserting an auxirialy plate Peer-reviewed

    Toshio Aihara, Taku Ohara, Akira Sasago, Motoyuki Ukaku, Fabio Gori

    Proc. 2nd European Thermal-Sciences and 14th UIT National Heat Transfer Conference　2　731-738　1996

  217. Overall performance of heat sink - fan/pump unit and its optimum design Peer-reviewed

    Toshio Aihara, Taku Ohara, Akira Sasago

    Proc. 3rd KSME/JSME Thermal Engineering Conference　1　483-488　1996

  218. Heat Transfer and Defrosting Characteristics of Horizontal Cooled Tube Array Immersed in Very Shallow Fluidized Bed Peer-reviewed

    OHARA Taku

    Trans. Japan Society of Mechanical Engineers　62　(598)　2406-2413　1996

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.62.2406 　

    ISSN： 0387-5016

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    Heat transfer and defrosting characteristics of a horizontal single-row array of cooled tubes immersed in a gas-solid fluidized bed have been studied experimentally. The test fluidized bed with a low static bed height of l0mm produced excellent fluidization and effective gas-solid particle impinging jets for defrosting through the use of a newly developed cornice-type multislit distributor, in spite of very low pressure loss. The measured local heat-transfer coefficients and their transient behavior were discussed by consideration and comparison with these defrosting mechanisms. The defrosting limit when utilizing the present fluidized bed was also examined. It has been verified that frost-free running of the cooled tubes is possible with the use of this fluidized bed system under the conditions of inlet air temperature of -7℃, tube-surface temperature of -17℃, and relative humidity of 80%. Local contact frequency of particles onto the tube surface was measured by an optical sensing system and the defrosting mechanism of impinging solid particles was observed in detail by a visualization technique.

  219. Free-convection heat-transfer from a step- and pulse-heated wire in supercritical fluid Peer-reviewed

    Toshio Aihara, Jun Tamba, Taku Ohara

    Proc. 4th ASME/JSME Thermal Engineering Joint Conference　1　179-184　1995

  220. Molecular Dynamics Study on Hydrogen Bond and Cluster formation in Water Peer-reviewed

    Taku Ohara, Toshio Aihara

    Proc. 4th ASME-JSME Thermal Engineering Joint Conference　2　549-556　1995

  221. Overall Performance of Heat Sink - Fan/Pump Unit and the Optimum Design Peer-reviewed

    OHARA Taku

    Trans. JSME, Ser. B　61　(584)　1528-1533　1995

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.61.1528 　

    ISSN： 0387-5016

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    Performance of a forced-convection-cooling fin array in practical use should be evaluated taking its pressure-loss characteristics into account. On the other hand, the influence of the pressure loss on the cooling performance of a fin array is strongly dependent on the pressure-rise characteristics of fans/pumps driving the cooling fluid. From this poing of view, total performance of a forced-convection fin-array is analyzed in the present report considering its pressure loss and the performance of applied fan simultaneously. Based on this result, the optimum design method for forced-convection-cooling fin arrays is presented.

  222. Measurement of Rapid Transient Boiling Heat Transfer with a Carbon-past Film by Aid of Numerical Analysis Peer-reviewed

    OHARA Taku

    Cryogenic Engineering　30　(9)　420-430　1995

    DOI： 10.2221/jcsj.30.420 　

    ISSN： 0389-2441

  223. Heat Transfer of a Horizontal Array of Frosted Tubes in Impinging Jets Peer-reviewed

    OHARA Taku, KITANO Hitoshi, AIHARA Toshio, SHIMOYAMA Toshiyuki

    Transactions of the Society of Heating,Air-conditioning and Sanitary Engineers of Japan　20　(58)　103-109　1995

    Publisher: The Society of Heating, Air-Conditioning & Sanitary Engineers of Japan

    DOI： 10.18948/shase.20.58_103 　

    ISSN： 0385-275X

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    Heat pump systems utilizing ambient air as a heat source are widely used; however, in the case of using conventional tube banks as an evaporator, moisture in humid air freezes and forms the frost layer on tube surface, which produces a decrease in heat transfer, an increase in pressure loss, and finally choking of the evaporators. High performance heat exchanger can be expected by applying an impinging jet having high heat-transfer characteristics for the conventional tube-bank heat exchanger. In order to utilizing the impinging-jet tube-bank heat exchanger in an environment where the above-mentioned frost formation is unavoidable, the heat-transfer and frosting characteristics of a cooled tube in an impinging jet must be clarified. In the present report, a comparison is made between heat transfer of a tube in an uniform flow and that in an impinging jet, and then the possibility of improving the performance of tube-bank heat exchanger by utilizing the impinging jet is shown. After that the local heat-transfer characteristics of a cooled tube in an air impinging jet and the influence of frosting on them are analyzed in an intensive experiment. The results obtained in the present report are as follows; (1) The heat transfer of a heated tube in an impinging jet is much higher than that in a uniform flow when they are compared at the same superficial velocity. (2) The transient frost-layer thickness, local heat-transfer coefficient, and the circumferential distribution of overall local Nusselt number were clarified. (3) In the test conditions applied in the present study, the heat transfer of a frosted tube is less than that of the heated tubes because the effect of the increase of thermal resistance due to the frost layer is dominant as compared with the effects of the latent-heat release and increase of heat-transfer area due to frosting. (4) Finally the ratio of the convection thermal resistance between the surface of the frost layer and air flow to the total thermal resistance between tube surface and air flow including that of frost layer was obtained and shown by an empirical formula as a function of time and temperature difference between inlet air and tube surface.

  224. Molecular Dynamics Study on Hydrogen Bond in Water (2nd Report, Analysis of Hydrogen Bond Network) Peer-reviewed

    OHARA Taku

    Trans. JSME, Ser. B　61　(583)　1107-1113　1995

    DOI： 10.1299/kikaib.61.1107 　

  225. Molecular Dynamics Study on Hydrogen bond in Water (1st Report, Dependence of Number and Lifetime on Temperature and Density) Peer-reviewed

    OHARA Taku

    Trans. JSME, Ser. B　61　(582)　592-598　1995

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.61.592 　

    ISSN： 0387-5016

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    A molecular dynamics study has been performed for water over wide ranges of temperature and density. The Carravetta-Clementi intermolecular potential model was applied for a system of 256 molecules. The liquid-vapor coexistence, near-critical and supercritical regions, and the region of compressed liquid having high density were extensively studied. The behavior of hydrogen bonds is analyzed in the present report. The number of bonds per molecule, their lifetime, and temperature-and density-dependences are presented in detail.

  226. RAPID TRANSIENT HEAT TRANSFER OF NEAR-CRITICAL CARBON DIOXIDE Peer-reviewed

    T AIHARA, T OHARA, J TAMBA

    HEAT TRANSFER 1994 - PROCEEDINGS OF THE TENTH INTERNATIONAL HEAT TRANSFER CONFERENCE, VOL 5　(135)　13-18　1994

  227. Molecular Dynamics Study on Structure of Near-Critical Water Peer-reviewed

    Taku Ohara, Toshio Aihara

    Thermal Science and Engineering　2　(1)　132-137　1994

    ISSN： 0918-9963

  228. Heat transfer and defrosting characteristics of a horizontal tube array evaporator immersed in a very shallow fluidized bed Peer-reviewed

    Toshio Aihara, Taku Ohara, Hitoshi Kitano

    Proc. CFCs, THE DAY AFTER International Conference　599-606　1994

  229. [Rapid Transient Heat-Transfer of Near-Critical Carbon Dioxide] Peer-reviewed

    OHARA Taku

    Trans. JSME, m Ser. B　60　(572)　1370-1377　1994

    DOI： 10.1299/kikaib.60.1370 　

  230. Molecular Dynamics Study on Cluster Structure of Water (Dependence of Cluster Size and Its Probability Distribution on Temperature and Density Peer-reviewed

    Taku Ohara, Toshio Amara

    Transactions of the Japan Society of Mechanical Engineers Series B　60　(570)　496-503　1994

    DOI： 10.1299/kikaib.60.496 　

    ISSN： 0387-5016

  231. [Rapid Transient Boiling Heat-Transfer from a Coated Strip Vertically Placed in Liquid Helium-I] Peer-reviewed

    OHARA Taku

    Cryogenic Engineering　29　(1)　2-11　1994

    Publisher: CRYOGENICS AND SUPERCONDUCTIVITY SOCIETY OF JAPAN

    DOI： 10.2221/jcsj.29.2 　

    ISSN： 0389-2441

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    In order to simulate an insulated superconductor in practical use, a 20-μm-thick stainless steel strip, both surfaces of which were coated with a PVF film and a carbon-paste film, was used as a test piece in the present experiment. Rapid transient (up to approx. 5, 000K/s) and steady-state boiling heat transfer from this vertical test strip, which was heated stepwise in saturated liquid helium-4 at atmospheric pressure, has been studied. In steady-state boiling, thermal resistance of the coating shifts the nucleate boiling curve to a higher wall-superheat region and suppresses burnout and a quick transition; consequently, heat transfer data were well correlated with a single boiling curve with smooth and continuous transition from nucleate boiling to film boiling. In the case of stepwise heating with a heat flux below the steady-state CHF, the wall superheat suddenly increases to a value corresponding to the Kapitza resistance just as the thermal wave reaches the test piece surface; steady-state nucleate boiling is attained within a very short time after rapid increase in the wall temperature. In the case of a heat flux above the steady-state CHF, just after the transition from transient nucleate boiling to film boiling, the wall heat flux sharply dips once; then steady-state film boiling is attained within a very short time. A rapid transient boiling curve has also been obtained.

  232. 液体をミクロに見れば Invited Peer-reviewed

    小原 拓, 相原利雄

    日本機械学会誌　96　(892)　180-183　1993

  233. Molecular Dynamics Study on Trans-Critical Water Peer-reviewed

    OHARA Taku

    日本機械学会論文集（B編）　59　(561)　1658-1663　1993

    DOI： 10.1299/kikaib.59.1658 　

  234. FILM THINNING PROCESS ON A ROTATING-DISK Peer-reviewed

    T OHARA, Y MATSUMOTO, H OHASHI

    ROTATING MACHINERY : TRANSPORT PHENOMENA　209-224　1992

  235. RESIST FILM FORMATION IN SPIN COATING Peer-reviewed

    T OHARA, Y MATSUMOTO, H OHASHI

    INTERSOCIETY CONFERENCE ON THERMAL PHENOMENA IN ELECTRONIC SYSTEMS　281-288　1992

  236. Cooling performance of compact heat sinks with semimicrochannels Peer-reviewed

    Taku Ohara, Toshio Aihara, Chihiro Hayashi

    Proc. 1992 Joint ASME/JSME Conference on Electronic Packaging　1　249-252　1992

  237. 回転円盤上の液膜形成

    小原 拓, 他

    日本の伝熱研究　20　(1)　36-55　1991

  238. Thin-Film Formation on a Rotating Disk Peer-reviewed

    OHARA Taku

    Trans. of Japan Society of Mechanical Engineers　57　(543)　3807-3814　1991

    DOI： 10.1299/kikaib.57.3807 　

  239. Numerical analysis of bubbly flow in a channel with backward step

    Y. Matsumoto, Y. Morii, T. Ohara, H. Ohashi

    American Society of Mechanical Engineers, Fluids Engineering Division (Publication) FED　98　61-64　1990

    Publisher: Publ by ASME

  240. PRESSURE WAVE PHENOMENA IN BUBBLY LIQUID Peer-reviewed

    Y MATSUMOTO, H NISHIKAWA, T OHARA, H OHASHI

    CURRENT TOPICS IN SHOCK WAVES　208　837-842　1990

  241. THE FILM FORMATION DYNAMICS IN SPIN COATING Peer-reviewed

    T OHARA, Y MATSUMOTO, H OHASHI

    PHYSICS OF FLUIDS A-FLUID DYNAMICS　1　(12)　1949-1959　1989/12

    DOI： 10.1063/1.857520 　

    ISSN： 0899-8213

  242. NUMERICAL-ANALYSIS AT THE INITIAL-STAGE - LIQUID-FILM FORMATION ON A ROTATING-DISK Peer-reviewed

    Y MATSUMOTO, T OHARA, TERUYA, I, H OHASHI

    JSME INTERNATIONAL JOURNAL SERIES II-FLUIDS ENGINEERING HEAT TRANSFER POWER COMBUSTION THERMOPHYSICAL PROPERTIES　32　(1)　52-56　1989/02

    DOI： 10.1299/jsmeb1988.32.1_52 　

    ISSN： 0914-8817

  243. Liquid film formation on a rotating disk. (2nd Report, Numerical analysis of the film thinning process with heat and mass transfer). Peer-reviewed

    OHARA Taku, MATSUMOTO Yoichiro, SHIMAMOTO Norio, OHASHI Hideo

    Transactions of the Japan Society of Mechanical Engineers Series C　55　(514)　1640-1648　1989

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.55.1640 　

    ISSN： 0387-5016

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    The unsteady flow of a liquid film and the surrounding gas on a rotating disk, which is related to a spin-coating technique to form a thin uniform film on a plate, is simulated numerically with emphasis on the heat and mass transfer at the interface. The full governing equations and boundary conditions are formulated and a newly developed calculation method is applied. The numerical results reveal that the liquid film thickness decreases mainly by convection in the middle stage. The radial and azimuthal velocities are proportional to the radius, and other values are independent of it. According to these results, one-dimensional calculation models for both phases are developed. The results show that the increased viscosity due to the evaporation of the solvent has considerable effects on the film formation process when the film is sufficiently thin. The liquid film thins mainly because of evaporation in the last stage.

  244. Liquid Film Formation on a Rotating Disk (1st Report) Peer-reviewed

    Yoichiro Matsumoto, Taku Ohara, Isao Teruya, Hideo Ohashi

    Trans. of Japan Society of Mechanical Engineers　54　(499)　569-574　1988

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/kikaib.54.569 　

    ISSN： 0387-5016

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    Unsteady liquid film flow on a rotating disk, which is related to a spin coating technique to form a thin uniform film on a plate, is calculated numerically. Vewly developed calculation method, where the surface tension on the liquid surface can be taken into account, is applied. The numerical results reveal the followings : The hemi-spherical liquid on the disk, which starts to rotate impulsively from rest, spreads by a gravitational force at the first stage. The development of the distribution of radial and azimuthal velocities is affected complicatedly by the Coriolis force, viscous force and centrifugal force. The liquid spreads mainly by centrifugal force and forms a uniforml thin film on the disk at the last stage. The surface tension has a little influence on the spreading process only at the first stage.

Show all ︎Show first 5

Misc. 135

  1. Atomistic Insights into the Heat Conduction of Sugar Alcohol-based PCMs

    2026/05/28

  2. 液体粘性の非線形せん断応答と運動量輸送 経路に関する分子動力学的解析

    吉田 和栄, Surblys Donatas, 小原 拓

    第63回日本伝熱シンポジウム　2026/05/27

  3. 熱力学的積分に基づく多様な界面における 濡れ性の評価

    田中 拓海, Surbyls Donatas, 小原 拓

    第63回日本伝熱シンポジウム　2026/05/27

  4. Investigation on heat transfer characteristics over the solid-liquid interface of poly(ethylene glycol) SAM with hydrophilic terminals

    菊川豪太, SAHA Leton Chandra, 八木貴志, 山下雄一郎, 佐藤正秀, 小原拓

    日本伝熱シンポジウム講演論文集(CD-ROM)　60th　2023

    ISSN： 1346-1532

  5. 静電相互作用による高熱伝導性高分子電解質交互積層膜の創成と熱界面材料としての応用

    的場優仁, 佐藤正秀, 八木貴志, 山下雄一郎, 川越吉晃, SURBLYS Donatas, 松原裕樹, 菊川豪太, 小原拓

    化学工学会秋季大会研究発表講演要旨集(CD-ROM)　54th　2023

  6. 様々な水モデルを用いた分子動力学シミュレーションによる各種熱物性の再現性評価

    田村 双, 松原 裕樹, SURBLYS Donatas, 小原 拓

    第42回日本熱物性シンポジウム講演論文集　B212　2021/10

  7. 構造制御されたポリアクリル酸/ポリエチレンイミン相互積層膜の熱伝導率

    佐藤 正秀, 伊藤 晴美, 的場 優仁, 山下 雄一郎, 八木 貴志, 川越 吉晃, Surblys Donatas, 松原 裕樹, 菊川 豪太, 小原 拓

    第42回日本熱物性シンポジウム講演論文集　B311　2021/10

  8. SiO2結晶表面近傍における液体水/IPAの物質輸送特性

    佐藤 大雅, 早坂 裕真, SURBLYS Donatas, 松原, 裕樹, 中野 雄大, 菊川 豪太, 小原 拓

    日本機械学会2021年度年次大会　J52-06　2021/09

  9. 表面微細構造をもつ加熱基板近傍に置かれた物体に誘起される接線方向クヌッセン力の源

    オティック クリントジョン, 小原 拓, 米村 茂

    日本機械学会2021年度年次大会　J52-11　2021/09

  10. ナノ粒子を含む液体のエネルギー輸送機構に関する分子動力学的研究

    芝原正彦, 山本幸宏, 藤原邦夫, 植木祥高, 小原拓

    第58回日本伝熱シンポジウム講演論文集　2021/05

  11. 多体ポテンシャルを有する系の原子応力による熱流束算出

    Surblys Donatas, 松原裕樹, 菊川豪太, 小原拓

    第58回日本伝熱シンポジウム講演論文集　2021/05

  12. パラフィン/屈曲グラフェン複合材料のフィラー分散性および熱伝導率に関する分子動力学解析

    松原裕樹, 小原拓

    第58回日本伝熱シンポジウム講演論文集　2021/05

  13. フルオロカーボン系熱媒の熱伝導機構と熱伝導率の関係に関する分子動力学的研究

    小久保信佑, 松原裕樹, Surblys Donatas, 菊川豪太, 小原拓

    第58回日本伝熱シンポジウム講演論文集　2021/05

  14. 分子接合されたグラフェンの熱伝導特性に関する分子動力学的研究

    伊藤豪志, 松原裕樹, Surblys Donatas, 小原拓

    第58回日本伝熱シンポジウム講演論文集　2021/05

  15. 自己組織化単分子膜表面上の液滴接触状態に関する分子動力学的研究

    菊川豪太, 新田則佳, Surblys Donatas, 小原拓

    第58回日本伝熱シンポジウム講演論文集　2021/05

  16. Reducing thermal boundary resistance at Au/water interface using self-assembled monolayer with PEG functional group formed on Au surface

    八木貴志, 八木貴志, 山下雄一郎, 佐藤正秀, SAHA Leton Chandra, SAHA Leton Chandra, 菊川豪太, 小原拓

    Thermophysical Properties (CD-ROM)　41st　2020

    ISSN： 0911-1743

  17. Molecular dynamics study on the effect of surfactant adsorption on heat transport at solid-liquid interface

    BAO Yunhao, MATSUBARA Hiroki, KAWAGOE Yoshiaki, DONATAS Surblys, GUO Yuting, OHARA Taku

    日本伝熱シンポジウム講演論文集(CD-ROM)　57th　2020

    ISSN： 1346-1532

  18. Molecular dynamics study on the effect of surface roughness and liquid molecular length on interfacial thermal conductance at solid-liquid interface

    LI Yining, SURBLYS Donatas, 松原裕樹, 川越吉晃, GUO Yuting, 小原拓

    日本伝熱シンポジウム講演論文集(CD-ROM)　57th　2020

    ISSN： 1346-1532

  19. Molecular Dynamics Investigation of the Effect of Surfactant Adsorption on Reducing Contact Thermal Resistance between Two Solid Surfaces

    GUO Yuting, SURBLYS Donatas, 川越吉晃, 松原裕樹, 小原拓

    日本伝熱シンポジウム講演論文集(CD-ROM)　57th　2020

    ISSN： 1346-1532

  20. Molecular Dynamics Study on Energy Transport Mechanism in Liquid with Nanoparticle Suspension

    Yamamoto Yukihiro, Fujiwara Kunio, Ueki Yoshitaka, Ohara Taku, Shibahara Masahiko

    The Proceedings of the Thermal Engineering Conference　2019　(0)　24-24　2019/10

    Publisher: The Japan Society of Mechanical Engineers

    DOI： 10.1299/jsmeted.2019.0024 　

    More details Close

    <p>In the present study, we conducted nonequilibrium molecular dynamics simulations in order to investigate influences of the adsorption layers of the liquid around a nanoparticle on the effective thermal conductivity of liquid with nanoparticle suspension. We adopted liquid systems with nanoparticle suspension between two solid walls and obtained the effective thermal conductivity based on the Fourier's law imposing a temperature difference between the two solid walls. Contributions of the adsorption layer to the effective thermal conductivity were investigated quantitatively, and the results showed that the thermal conductivity in the adsorption layer increases with the increase of the interaction intensity between the nanoparticle and the liquid.</p>

  21. ナノ粒子が液体のエネルギー輸送機構に与える影響に関する分子動力学的研究

    大茂昌史, 藤原邦夫, 植木祥高, 小原拓, 芝原正彦

    日本伝熱シンポジウム講演論文集(CD-ROM)　56th　ROMBUNNO.D324　2019

    ISSN： 1346-1532

  22. ナノノスケール微細構造における熱交換機構に関する分子動力学解析

    SURBLYS Donatas, 川越吉晃, 芝原正彦, 小原拓

    2018/12

  23. 界面活性剤吸着が固液界面の熱輸送に及ぼす影響に関する分子動力学的研究

    GUO Yuting, SURBLYS Donatas, 川越吉晃, 松原裕樹, LIU Xiao, 小原拓

    数値流体力学シンポジウム講演論文集(CD-ROM)　32nd　2018

    ISSN： 2433-2674

  24. ナノ粒子による液体の熱伝導率変化に関する分子動力学的研究

    大茂昌史, 藤原邦夫, 植木祥高, 芝原正彦, 小原拓

    日本伝熱シンポジウム講演論文集(CD-ROM)　55th　ROMBUNNO.P1420　2018

    ISSN： 1346-1532

  25. 101 A Molecular Dynamics Study on Heat Transfer Characteristics over Fluorocarbon SAM Interfaces

    Nemoto Mitsuru, Kikugawa Gota, Bessho Takeshi, Yamashita Seiji, Ohara Taku

    2016　(51)　3-4　2016

    Publisher: The Japan Society of Mechanical Engineers

  26. 108 Molecular Thermal Energy Transfer in Binary Mixture of Simple Liquids

    Fang Yingping, Kikugawa Gota, Matsubara Hiroki, Bessho Takeshi, Yamashita Seiji, Ohara Taku

    2016　(51)　15-16　2016

    Publisher: The Japan Society of Mechanical Engineers

  27. A molecular dynamics study on molecular diffusion in liquids of water and IPA in the vicinity of solid surfaces and in liquid mixture

    Y. Naruke, J. Suzuki, T. Nakano, G. Kikugawa, T. Ohara

    Proceedings of the First Pacific Rim Thermal Engineering Conference　2016

  28. Molecular dynamics study on influences of slit structures on thermal resistance and energy transport mechanism at a liquid-solid interface

    M. Shibahara, R. Toda, Y. Ueki, T. Ohara

    Proceedings of the First Pacific Rim Thermal Engineering Conference　2016

  29. Molecular dynamics mechanism of heat conduction in 1-butyl-3-methylimidazolium ionic liquid

    Joji Haneda, Gota Kikugawa, Taku Ohara

    Proceedings of the 11th Asian Thermophysical Properties Conference　2016

  30. Molecular mechanism of heat conduction in linear alcohol liquids: Effect of chain length

    Hiroki Matsubara, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    Proceedings of the 11th Asian Thermophysical Properties Conference　2016

  31. Molecular thermophysical properties toward the design of liquids and soft matters

    Taku Ohara, Gota Kikugawa, Hiroki Matsubara

    Proceedings of the 11th Asian Thermophysical Properties Conference　2016

  32. Molecular dynamics mechanism to determine viscosity of thermal medium liquids

    Satoru Harada, Gota Kikugawa, Taku Ohara

    Proceedings of the 4th International Forum on Heat Transfer　2016

  33. Molecular mechanism for thermal boundary conductance over fluorinated SAM-solvent interfaces

    Mitsuru Nemoto, Gota Kikugawa, Takeshi Bessho, Seiji Yamashita, Taku Ohara

    Proceedings of the 4th International Forum on Heat Transfer　2016

  34. Thermal rectification over solid-liquid interfaces of gold (Au) contacting liquid methane (CH4)

    Abdul Rafeq Saleman, Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the 4th International Forum on Heat Transfer　2016

  35. C214 Molecular Dynamics Simulation of Heat Transfer Mechanisms in 1-Butyl-3-Methylimidazolium Ionic Liquid

    Haneda Joji, Kikugawa Gota, Ohara Taku

    Procee[d]ings of Thermal Engineering Conference　2015　"C214-1"-"C214-2"　2015/10/23

    Publisher: The Japan Society of Mechanical Engineers

    More details Close

    The molecular level mechanism of thermal energy transfer is important in thermal engineering or understanding the factors that determine macroscopic thermal conductivity, which enables design of thermal medium having desired thermophysical properties. This is a report of non-equilibrium molecular dynamics (MD)simulation of heat conduction in ionic liquids, which attract attentions in various engineering fieldsrecently. MD simulations were performed for 1-butyl-3-metyhlimidazolium ionic liquids at 323 K and 1×10^5 Pa by using the united atom model in three systems which have different size of anions (F^-, Cl^- and Br^-). Thecontributions of molecular migration and intra/intermolecular interactions to heat flux has been analyzed.

  36. J0540304 Mass transport properties of nanoscale liquid at the solid-liquid interface

    SUZUKI Jo, KIKUGAWA Gota, NAKANO Takeo, OHARA Taku

    Mechanical Engineering Congress, Japan　2015　"J0540304-1"-"J0540304-3"　2015/09/13

    Publisher: The Japan Society of Mechanical Engineers

    More details Close

    Mass transport in ordered structures of a liquid which are formed in the vicinity of a solid-liquid interface exhibits decidedly different characteristics from the ordinary diffusion. Using the PMF (potential of mean force) profile obtained from the number density of liquid molecules, the kinetic process model to describe the molecular mobility inside these ordered structures was developed in this study. From the result obtained from molecular dynamics (MD) simulations, it was found that the developed kinetic model can accurately predict the molecular mobility over the free energy barrier.

  37. スリット状微細構造が固液界面エネルギー輸送に及ぼす影響に関する分子動力学的研究

    芝原正彦, 戸田亮平, 植木祥高, 小原拓

    日本伝熱シンポジウム講演論文集(CD-ROM)　52nd　ROMBUNNO.H235　2015

    ISSN： 1346-1532

  38. Effect of Computational Domain Shape on Self-Diffusion Coefficient of Bulk Liquids in MD Simulation Systems

    SUZUKI Jo, KIKUGAWA Gota, ANDO Shotaro, NARUKE Yoichi, OHARA Taku

    The Computational Mechanics Conference　2014　(27)　711-713　2014/11/22

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 1348-026X

    More details Close

    In the present study, molecular dynamics (MD) simulations on simple liquids like monatomic Lennard-Jones and water bulk liquids in periodic boundary systems were performed to clarify the effect of the system size and shape on self-diffusion coefficient. So far, in the previous publications, the system size effect in cubic computational domains has been reported, and these studies showed that the diffusion coefficient becomes smaller as the system size decreases. Here we examined the system size effect not only in the cubic cell systems, but also in the rectangular cell systems which were created by changing one side length of the cubic cell with the system density kept constant. It is found that the diffusion coefficient in the direction perpendicular to the long side of the rectangular cell significantly increases more or less linearly as the side length increases for both liquids. On the other hand, the diffusion coefficient in the direction along the long side is almost constant. In consequence, anisotropy of the diffusivity appears in the rectangular cell with a periodic boundary condition even though the diffusion property of bulk liquids is examined.

  39. Molecular Dynamics Analysis of Heat Conduction in Chain Alkane Liquids : Effects of Branched Chains

    Matsubara Hiroki, Kikugawa Gota, Bessho Takeshi, Yamashita Seiji, Ohara Taku

    The Computational Mechanics Conference　2014　(27)　714-715　2014/11/22

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 1348-026X

    More details Close

    This paper investigates how the details of molecular structure affect the thermal properties of liquids. We carried out the nonequilibrium molecular dynamics simulations for the liquids of a systematic series of branched-alkanes. In the simulations, the thermal conductivity as well as the corresponding heat flux were calculated. Particularly, the heat transfer by way of side chain was analyzed in detail. It is shown that the heat flux associated with one side chain atom is not significantly different for the different alkane species, and thus the total heat flux of side chain is proportional to the number density of side chain atoms.

  40. B222 Local Thermal Conductivity of Liquid Alkane in the Solid-Liquid Interface Region

    Chilukoti Hari Krishna, Kikugawa Gota, Ohara Taku

    Procee[d]ings of Thermal Engineering Conference　2014　"B222-1"-"B222-2"　2014/11/08

    Publisher: The Japan Society of Mechanical Engineers

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    In this paper, thermal conductivity of liquid n-alkanes in the vicinity of three crystal planes of a-quartz substrate terminated with H and OH-groups have been investigated using nonequilibrium molecular dynamics simulations. Methane and decane molecules are considered as alkane molecules in this study. It is found that the thermal conductivity fluctuates in an oscillating manner in the solid-liquid interface region. These fluctuations are typically in proportion to the oscillations in the density profile.

  41. J0550304 Effect of Computational Domain Shape on Self-Diffusion Coefficient of Lennard-Jones and Water Bulk Liquids

    KIKUGAWA Gota, ANDO Shotaro, SUZUKI Jo, NARUKE Yoichi, NAKANO Takeo, OHARA Taku

    Mechanical Engineering Congress, Japan　2014　"J0550304-1"-"J0550304-5"　2014/09/07

    Publisher: The Japan Society of Mechanical Engineers

    More details Close

    In the present study, molecular dynamics (MD) simulations on monatomic Lennard-Jones and water bulk liquids in the periodic boundary system were performed in order to elucidate the effect of the system size and shape on self-diffusion coefficient. So far, the system size effect in cubic computational domains has been intensively investigated and these studies showed that the diffusion coefficient becomes smaller as the system size decreases. We examined the system size effect not only in the cubic cell systems, but also in the rectangular cell systems which were created by changing one side length of the cubic cell with the system density kept. As a result, the diffusion coefficient in the direction perpendicular to the longer side of the rectangular cell significantly increases more or less linearly as the side length increases for both liquids. On the other hand, the diffusion coefficient in the direction along the longer side is almost constant or slightly decreases. Consequently, anisotropy of diffusion coefficient appears in the rectangular cell with a periodic boundary condition even in the case of bulk liquids.

  42. G131 A Molecular Dynamics Study on Mass Transport Characteristics of Liquid Water and IPA in the Vicinity of Solid Silica Surfaces

    Naruke Yoichi, Kosaka Shuichi, Nakano Takeo, Kikugawa Gota, Ohara Taku

    Procee[d]ings of Thermal Engineering Conference　2013　215-216　2013/10/18

    Publisher: The Japan Society of Mechanical Engineers

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    Mass transport in the vicinity of solid-liquid interfaces exhibits complicated characteristics and an essential understanding of their mechanism is of critical importance. The interfaces between SiO_2 and water or IPA (iso-propyl alcohol) are typical system in the semiconductor industry. In the present study, we investigated molecular-scale structures of the adsorption layers of liquid molecules and molecular transport characteristics by using molecular dynamics (MD) simulations in order to clarify the mass transport in the vicinity of the interfaces between SiO_2 and liquids. As typical terminations of SiO_2 surfaces, H- and OH- terminated ones were used and self-diffusion coefficients in the direction parallel to the interface were measured and the mass transfer properties were discussed.

  43. J053013 Heat Conduction Mechanism on Amorphous Polymer Materials with Crosslinking

    KIKUGAWA Gota, KEBLINSKI Pawel, OHARA Taku

    Mechanical Engineering Congress, Japan　2013　"J053013-1"-"J053013-5"　2013/09/08

    Publisher: The Japan Society of Mechanical Engineers

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    In the present study, molecular dynamics (MD) simulations on two typical amorphous polymers, polyethylene (PE) and polystyrene (PS) were performed in order to elucidate the effect of crosslinks between polymer chains on heat conduction. Direct nonequilibrium MD techniques were used to evaluate thermal conductivities in both polymeric systems with varying a crosslink concentration. In the PE systems, the effect of crosslinking on thermal conductivity is significant and the thermal conductivity more or less linearly increases with the crosslink concentration. On the other hand, the change of thermal conductivity in the PS systems is insignificant. We guess that this striking difference is due to highly heterogeneous PS based network including phenyl side groups in terms of molecular interactions and molecular conformation. In order to elucidate the molecular-scale mechanism on the increase of thermal conductivity with the crosslink concentration for PE, we monitored microscopic energy transfer modes associated with various bonded and non-bonded interactions. The results show that crosslinking plays a role in creating new thermal paths to increase thermal conductivity.

  44. Scientific Contribution Award of the Heat Transfer Society of Japan

    NAKANO Takeo, KIKUGAWA Gota, OHARA Taku

    52　(220)　6-6　2013/07/01

    ISSN： 1344-8692

  45. Molecular Dynamics Mechanism of Thermal Energy Transport in Liquid Methane Reproduced by All-Atom and United-Atom Models

    Joji Haneda, Gota Kikugawa, Taku Ohara

    Proceedings of the 4th International Symposium on Micro and Nanotechnology　2013

  46. OS1-1-6 Effect of Temperature on Molecular-Scale Structure and Mass Transport Properties in the Vicinity of SiO_2-Water/IPA Interfaces

    NAKANO Takeo, KOSAKA Shuichi, KIKUGAWA Gota, OHARA Taku

    2012　(4)　129-130　2012/10/21

    Publisher: The Japan Society of Mechanical Engineers

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    Molecular dynamics simulations are performed in order to investigate an impact of temperature on molecular structure and mass transport properties in the vicinity of silica-water and/or iso-propyl alcohol (IPA) liquid film interfaces. Water and IPA liquid molecules form layer structure in the vicinity of the solid, respectively. Although temperature has an insignificant effect on the first layer from the solid, the layer structure at higher temperature decays farther away from the second layer comparing with lower temperature for both silica-water and silica-IPA systems. Moreover, interfusion of water and IPA molecules between silica substrates is simulated and coverage molecules on the substrates are analyzed for temperatures of 300K and 350K.

  47. J053026 Molecular Dynamics Study on the Influence of Adherent Nanostructures on Interfacial Thermal Resistance and Energy Transport Mechanism at a Liquid-Solid Interface

    SHIBAHARA Masahiko, MURAKAMI Sho, MATSUMOTO Takuya, OHARA Taku

    Mechanical Engineering Congress, Japan　2012　"J053026-1"-"J053026-5"　2012/09/09

    Publisher: The Japan Society of Mechanical Engineers

    More details Close

    The influences of the nanostructures adherent to a surface on the macroscopic thermal resistance and the molecular energy transport mechanism at a liquid-solid interface were investigated directly by the nonequilibrium classical molecular dynamics simulations. There was a negative correlation between the interfacial liquid molecular density and the macroscopic interfacial thermal resistance in the case of the same nanostructure adherent surface. The increase of the heat flux through the nanostructures was observed when the macroscopic interfacial thermal resistance was reduced by the nanostructures in the case of the same nanostructure adherent surface.

  48. J053034 All-Atom Molecular Dynamics Simulation of Mechanisms of Thermal Energy Transport in Saturated Liquids of /i-Alkanes

    HANEDA Joji, KIKUGAWA Gota, OHARA Taku

    Mechanical Engineering Congress, Japan　2012　"J053034-1"-"J053034-3"　2012/09/09

    Publisher: The Japan Society of Mechanical Engineers

    More details Close

    This report mentions non-equilibrium molecular dynamics (MD) simulation of heat conduction in alkane liquids. In the previous study, the authors have analyzed the molecular mechanism of heat conduction in liquid n-alkanes ofvarious molecular lengths by utilizing the united-atom model. Although the results were satisfactorily reasonable, the influence of C-H bonds was not clarified because the bonds were ignored in the united atom model. To analyze the influence, a non-equilibrium MD simulation was performed in the present study for heat conduction in liquid n-alkanes applying an all-atom model. The influence of the presence of H sites and the contributions of the C-H bond were examined.

  49. On Receiving the Best Paper Award of JSTP

    OHARA T., YUAN T. C., TORII D., KOSUGI N., KIKYUKAWA G.

    26　(1)　4-4　2012/02/29

    ISSN： 0913-946X

  50. G114 Detailed Analyses of Heat Transfer Mechanism at the Hydrophilic and Hydrophobic SAM/Water Interfaces

    Kikugawa Gota, Ohara Taku, Kawaguchi Toru, Kinefuchi Ikuya, Matsumoto Yoichiro

    Procee[d]ings of Thermal Engineering Conference　2011　159-160　2011/10/28

    Publisher: The Japan Society of Mechanical Engineers

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    In the present paper, molecular dynamics simulations of the interface system comprised of self-assembled monolayers (SAMs) and water solvent were performed in order to investigate heat transfer characteristics. Here we focused on the effect of hydrophobicity of SAMs on interfacial heat transfer. Two types of SAM terminal groups, i.e., methyl (CH3-) and hydroxyl (OH-) terminals which have hydrophobic and hydrophilic characters, respectively, were adopted. Nonequilibrium molecular dynamics simulations, in which a constant heat flux was imposed across the SAM interface, were performed to evaluate thermal boundary conductances (TBCs). The result demonstrated that the TBC at the OH-terminated SAM interface is one order of magnitude larger than that at the methyl-terminated SAM interface. Moreover, possible reasons for this significant difference were explored.

  51. 4-4 Free Energy Profile according to Ion Translation at the Magnetite/Water Interface

    Kikugawa Gota, Kato Junpei, Ohara Taku

    2011　(3)　43-44　2011/09/25

    Publisher: The Japan Society of Mechanical Engineers

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    In the present paper, we investigated mass transfer characteristics of Fe^<2+> ions over the magnetite (Fe_3O_4) substrate/water solvent interface by using the molecular dynamics simulations. In addition to the transfer perpendicular to the interface, that along the interface has to be elucidated in order to understand the precise transport properties and diffusion process of ions in the vicinity of the interface with complicated surface structure. Therefore, we here evaluated two-dimensional free energy surface along the interface according to the ion translation with umbrella sampling/WHAM (weighted histogram analysis method) technique. Additionally, actual ion trajectories adjacent to the interface were traced to compare those with the probable transport paths predicted from the free energy surface. As a result, it was found that the free energy surface is significantly influenced by the surface charge distribution of the magnetite surface, and the trajectories show a good correlation with the free energy profiles.

  52. J054051 Effects of the Local Non-equilibrium Behaviors Caused by Nanostructures on the Energy Transport at a Liquid-Solid Interface

    MURAKAMI Sho, SHIBAHARA Masahiko, OHARA Taku

    Mechanical Engineering Congress, Japan　2011　"J054051-1"-"J054051-5"　2011/09/11

    Publisher: The Japan Society of Mechanical Engineers

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    The influences of the structural geometry at the nanometer scale on the thermal resistance at a liquid molecule-solid interface, as well as the interfacial local non-equilibrium behaviors of liquid molecules, were investigated directly by the non-equilibrium classical molecular dynamics simulations. A liquid molecular region confined between the solid walls, of which the interparticle potential was Lennard-Jones model or SPC/E model, was employed as a calculation system. The interfacial thermal resistance was dependent on the surface geometry at the nanometer scale and the interaction parameters between the solid atoms and the liquid molecules. The interfacial thermal resistance at the liquid-solid interface related to the interfacial local non-equilibrium behaviors of the liquid molecules regardless of liquid molecular degrees of freedom. The energy transport mechanism at the liquid-solid interface was changeable depending on the surface geometry at the nanometer scale under the present calculation conditions and it might relate to the variations of the interfacial thermal resistance and the local non-equilibrium behaviors of the liquid molecules at the liquid-solid interface.

  53. B214 Heat Transfer Characteristics at the Interface of Solvent and SAM with Hydrophilic and Hydrophobic Termini

    Kikugawa Gota, Ohara Taku, Kawaguchi Toru, Kinefuchi Ikuya, Matsumoto Yoichiro

    Procee[d]ings of Thermal Engineering Conference　2010　259-260　2010/10/29

    Publisher: The Japan Society of Mechanical Engineers

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    In this paper, we investigated the heat transfer characteristics over the interface of self-assembled monolayers (SAMs) and water solvent by using molecular dynamics simulations. Two types of SAM terminal groups, i.e., methyl (CH_3-) and hydroxyl (OH-) which have a hydrophobic and hydrophilic property, respectively, were applied to elucidate the effect of the affinity between the SAM and solvent. By nonequilibrium molecular dynamics simulations, a constant heat flux was imposed across the SAM interface and the resultant temperature distribution was obtained. Thereby, thermal boundary conductances (TBC) were evaluated at the both SAM interfaces. The result demonstrated that the TBC at the OH-terminated SAM interface is one order of magnitude larger than that at the methyl-terminated SAM interface.

  54. B221 Effects of the Local Non-equilibrium Behaviors Caused by Nanostructures on the Energy Transport at a Liquid-Solid Interface

    Shibahara Masahiko, Ohara Taku

    Procee[d]ings of Thermal Engineering Conference　2010　261-262　2010/10/29

    Publisher: The Japan Society of Mechanical Engineers

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    The influences of the structural geometry at the nanometer scale on the thermal resistance at a liquid molecule-solid interface, as well as the interfacial energy transport mechanism of liquid molecules, were investigated directly by the nonequilibrium classical molecular dynamics simulations. The interfacial thermal resistance is dependent on the surface geometry at the nanometer scale and the interaction parameters between solids and liquid molecules. The energy transport mechanism at a liquid-solid interface can be varied by the surface geometry at the nanometer scale under some specific conditions.

  55. MNM-5A-4 Influence of Alkyl Chain Interface on Characteristics of Heat Transfer in Lipid Bilayers

    Nakano Takeo, Kikugawa Gota, Ohara Taku

    2010　(2)　201-202　2010/10/12

    Publisher: The Japan Society of Mechanical Engineers

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    Nonequilibrium molecular dynamics simulations are carried out on single component lipid bilayer membranes with ambient water in order to elucidate influence of alkyl chain length on characteristics of heat transfer along and across the membranes. It was found that thermal conductivity along membrane corresponds with that of each membrane despite different lipid species. On the other hand, in the direction perpendicular to the membrane, the highest thermal resistance exists at the center of lipid bilayer where lipid acyl chains face each other. However, asymmetric chain length increases interface thermal conductance at the center of lipid bilayer compared with symmetric chain length. Thereby, overall thermal conductivity of across the membrane which consists of asymmetric chain length is higher than that which consists of symmetric chain length.

  56. MNM-5A-6 Molecular Dynamics Study on Temperature Dependence of Thermal Boundary Conductance of Solid-liquid Interface Modified by Self-Assembled Monolayer

    Kawaguchi Touru, Kinefuchi Ikuya, Kikugawa Gota, Ohara Taku, Matsumoto Yoichiro

    2010　(2)　205-206　2010/10/12

    Publisher: The Japan Society of Mechanical Engineers

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    We studied influential factors in heat transfer characteristics at the Au-toluene interface modified by dodecanethiol self-assembled monolayer (SAM) using nonequilibrium molecular dynamics simulation. The thermal boundary conductances of Au-SAM-toluene interface for different temperature were evaluated. As a result, the overall thermal boundary conductance tends to decrease as the temperature increases. This is partly because the depth of the hollow on the SAM surface becomes small and the probability density of toluene at the hollow site becomes lower as the temperature increases.

  57. Report on Joint International Symposia on 3rd Micro & Nano Technology and Micro/nanoscale Energy Conversion & Transport-2010

    OHARA Taku

    49　(208)　85-85　2010/07/01

    ISSN： 1344-8692

  58. 大規模粒子系の対話的可視化による分子配置に関するパラメータスタディ支援

    NIIZAKA Takuma, TAKESHIMA Yuriko, KIKUGAWA Gouta, OHARA Taku, FUJISHIRO Issei

    情報処理学会第72回全国大会講演論文集　4　321-322　2010/03/09

    Publisher: 情報処理学会

  59. Effect of Molecular Species for Heat Transport Characteristics of Lipid Bilayers Membranes

    NAKANO Takeo, KIKUGAWA Gota, OHARA Taku

    2010　111-111　2010

    Publisher: 日本流体力学会

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    Nonequilibrium molecular dynamics simulations are performed on single component DPPC, DLPC, and SMPC lipid bilayer membranes with ambient water in order to investigate the effect of molecular species on heat transport characteristics along and across the membranes. Thermal conductivity along membrane corresponds with that of each membrane monolayer. On the other hand, in the direction across membrane, the highest thermal resistance exists at the center of lipid bilayer where lipid acyl chains face each other. However, asymmetric chain length reduces thermal resistance at the interface between lipid monolayers. Thus, thermal conductivity across the membrane which consists of asymmetric chain length is higher than those which consist of symmetric chain length.

  60. Heat Transfer Characteristics at the Interface of Self-Assembled Monolayer and Water

    Kikugawa Gota, Ohara Taku, Kawaguchi Toru, Kinefuchi Ikuya, Matsumoto Yoichiro

    2010　110-110　2010

    Publisher: 日本流体力学会

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    Molecular dynamics simulations of the interface of self-assembled monolayer (SAM) with two kinds of terminal group and water were performed in order to investigate heat transfer characteristics over the SAM interfaces. Particularly, thermal boundary conductance (TBC) at these interfaces was evaluated and the effect of hydrophobic/hydrophilic property of SAM terminal was discussed. As a result, it was found that the local TBC at the hydroxyl-terminated SAM interface is an order of magnitude larger than that at the methyl-terminated SAM interface. In order to elucidate the reason for this large TBC, components contributing to thermal energy flux across the interface were evaluated in detail, i.e., the total thermal energy flux is decomposed into the contribution of molecular transport and that of energy exchange by molecular interactions.

  61. Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents

    Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    Proceedings of Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport - 2010　116-118　2010

  62. C141 A Molecular Dynamics Study on Heat Transfer Characteristics at the SAM Interface with Like and Unlike Solvents

    Kikugawa Gota, Ohara Taku, Kawaguchi Toru, Kinetuchi Ikuya, Matsumoto Yoichiro

    Procee[d]ings of Thermal Engineering Conference　2009　83-84　2009/11/06

    Publisher: The Japan Society of Mechanical Engineers

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    The present paper focuses on the difference of thermal boundary resistances at the interface of alkanethiolate self-assembled monolayer (SAM) with hydrophobic and hydrophilic solvents. By using nonequilibrium molecular dynamics simulations, a temperature gradient was imposed across the SAM interface and thermal boundary resistance was evaluated at the both interfaces. It was found that the resistance between hydrophobic SAM and hydrophilic solvent is much larger than that at the hydrophobic SAM and hydrophobic solvent. As one of the influential factors in this difference, the matching of vibrational spectrums of molecules at the interface region was examined.

  63. M3-13 Interfacial Thermal Resistance of Hydrophilically-Terminated Self-Assembled Monolayer and Water; Molecular Dynamics Study (M3 Micro/NanoThermo-FluidsSystem)

    Kinefuchi Ikuya, Matsumoto Yoichiro, Kikugawa Gota, Ohara Taku, Yatsuzuka Shinnichi

    2009　(1)　69-70　2009/10/15

    Publisher: The Japan Society of Mechanical Engineers

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    The interfacial thermal resistance at the interface of 11-mercapoundecanol (-S(CH_2)_<11>OH) self-assembled monolayer (SAM) adsorbed on Au(111) substrate and water was investigated using nonequilibrium molecular dynamics simulations. As a result, the interfacial thermal resistance was found to be a half of that in the system that consists of 1-dodecanthiol (-S(CH_2)_<11>OH) SAM adsorbed on Au(111) and toluene [Kikugawa, G., et al., J. Chem. Phys. (2009)]. Also the local thermal resistance between SAM and water was found to be very small. We consider that hydrogen bonds between SAM terminal and water contribute the effective thermal energy transfer from SAM to water. The detailed analysis of heat transport phenomena at the interface was performed and the influence of the bonding structure of water molecules near the interface on the thermal resistance was discussed.

  64. Thermal energy transfer in liquids with ordered/random structures

    Taku Ohara, Gota Kikugawa

    Proc. 6th International Conference on Flow Dynamics, Sendai　578　2009

  65. Transport Phenomena at Nano-Structured Interfaces

    Taku Ohara, Masahiko Shibahara, Gota Kikugawa

    Proc. 9th International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration, Sendai　82-83　2009

  66. Thermal energy transfer in liquids with ordered/random structures

    Taku Ohara, Gota Kikugawa

    Proc. 6th International Conference on Flow Dynamics, Sendai　578　2009

  67. Transport Phenomena at Nano-Structured Interfaces

    Taku Ohara, Masahiko Shibahara, Gota Kikugawa

    Proc. 9th International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration, Sendai　82-83　2009

  68. A molecular dynamics study on heat conduction characteristics in lipid bilayer

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. The Second International Forum on Heat Transfer　2008

  69. A molecular dynamics study on the heat transfer characteristics at a SAM-solvent interface

    G. Kikugawa, T. Kawaguchi, T. Ohara, E. Torigoe, Y. Hagiwara, Y. Matsumoto

    Proc. The Second International Forum on Heat Transfer　2008

  70. A molecular dynamics study on heat transfer characteristics in lipid membranes

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  71. Interfacial heat transfer characteristics at the interface of self-assembled monolayers and organic solvent

    G. Kikugawa, T. Ohara, T. Kawaguchi, E. Torigoe, Y. Hagiwara, Y. Matsumoto

    Proc. The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  72. Point sprite-based visualization of large-scale particle systems

    M. Odagawa, Y. Takeshima, I. Fujishiro, G. Kikugawa, T. Ohara, Y. Terada, M. Tokuyama

    Proc. The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  73. A molecular dynamics study on heat conduction characteristics in lipid bilayer

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. The Second International Forum on Heat Transfer　2008

  74. A molecular dynamics study on the heat transfer characteristics at a SAM-solvent interface

    G. Kikugawa, T. Kawaguchi, T. Ohara, E. Torigoe, Y. Hagiwara, Y. Matsumoto

    Proc. The Second International Forum on Heat Transfer　2008

  75. A molecular dynamics study on heat transfer characteristics in lipid membranes

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  76. Interfacial heat transfer characteristics at the interface of self-assembled monolayers and organic solvent

    G. Kikugawa, T. Ohara, T. Kawaguchi, E. Torigoe, Y. Hagiwara, Y. Matsumoto

    Proc. The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  77. Point sprite-based visualization of large-scale particle systems

    M. Odagawa, Y. Takeshima, I. Fujishiro, G. Kikugawa, T. Ohara, Y. Terada, M. Tokuyama

    Proc. The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  78. D245 Molecular Dynamics Analysis of the Molecular Structure and Heat Transfer Properties at the Interface of Alkanethiol SAMs

    Kikugawa Gota, Kawaguchi Toru, Ohara Taku, Torigoe Eichi, Hagiwara Yasumasa, Matsumoto Yoichiro

    Procee[d]ings of Thermal Engineering Conference　2007　321-322　2007/11/23

    Publisher: The Japan Society of Mechanical Engineers

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    In this paper, molecular structure and heat transfer properties at the interface of alkanethiol SAMs (self-assembled monolayers) adsorbed on Au surface and toluene solvent are investigated by using molecular dynamics simulations. Heat transfer properties at the solid-liquid interface have not fully been understood as compared to the solid-solid interface because the phonon-based theoretical framework breaks down. In this study, we focus on the SAM-solvent interfaces on the solid substrate which are widely used not only in the industrial devices, but also in the biomaterials and biodevices. By molecular dynamics simulations of SAM-solvent systems, the molecular structures of toluene and SAM molecules are obtained and the difference of the heat transfer property between the SAM-modified interface and the bare solid-lquid interface (Au-toluene) is discussed.

  79. 固液界面の熱抵抗に関する分子動力学的研究

    鳥居大地, 小原 拓

    理論応用力学連合会 講演論文集　131-132　2007

  80. 気液界面における水分子およびL-J流体の微視的構造とダイナミクス

    菊川豪太, 高木周, 松本洋一郎, 小原拓

    第44回日本伝熱シンポジウム講演論文集　III　585-586　2007

  81. アルカン液体中における熱エネルギー伝搬特性

    鳥居大地, 小原 拓, 松坂岳廣

    第44回日本伝熱シンポジウム講演論文集　III　583-584　2007

  82. 脂質二重膜の熱エネルギー伝搬特性

    中野雄大, 小原 拓, 菊川豪太

    第44回日本伝熱シンポジウム講演論文集　III　581-582　2007

  83. Molecular dynamics study on thermal resistance at solid-liquid interfaces

    Daichi Torii, Taku Ohara

    理論応用力学連合会 講演論文集　131-132　2007

  84. Heat conduction in liquids due to many-body potential (Contributions of intra- and intermolecular transfer)

    Daichi Torii, Takeo Nakano, Taku Ohara

    Trans. JSME, Ser. B　73　(734)　2122-2199　2007

  85. Microscopic structure and dynamics of water and L-J liquids at gas-liquid interfaces

    Gota Kikugawa, Shu Takagi, Yoichiro Matsumoto, Taku Ohara

    Proc. 44th National Heat Transfer Conference　III　585-586　2007

  86. Thermal energy transfer characteristics in alkane liquids

    Daichi Torii, Taku Ohara, Takehiro Matsuzaka

    Proc. 44th National Heat Transfer Conference　III　583-584　2007

  87. Thermal energy transfer characteristics of lipid bilayer

    Takeo Nakano, Taku Ohara, Gota Kikugawa

    Proc. 44th Nationa Heat Transfer Conference　III　581-582　2007

  88. Structure of liquids, solid-liquid/gas-liquid interfaces and their transport characteristics

    Taku Ohara, Gota Kikugawa

    Fluid Power System　38　(5)　233-238　2007

  89. Structure of liquids and solid-liquid/gas-liquid interfaces and transport characteristics

    Taku Ohara, Gota Kikugawa

    Fluid Power System　38　(5)　233-238　2007

  90. Thermophysics

    OHARA Taku

    45　(193)　22-22　2006/10/01

    ISSN： 1344-8692

  91. AM06-20-002 Characteristics of momentum and energy transfer in Couette-flow generated in ultra-thin liquid film

    Torii Daichi, Ohara Taku

    2006　292-292　2006

    Publisher: 日本流体力学会

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    The Couette flow of an ultra-thin liquid film between solid surfaces has been studied by molecular dynamics simulations. Water molecules were assumed as liquid and platinum was employed as solid wall in the present report. For the first half of this paper, the characteristics of flow profile and structure and orientation of water molecules adjacent to the solid surfaces were studied. It was revealed that there is little velocity slip at the boundary even the shear stress is as high as the order of 10^2MPa and that the orientation of water molecule is strongly influenced by the application of a shear. For the latter half, transfer of energy and momentum both in liquid film and at the solid-liquid interface was analyzed.

  92. Thermally driven ion transport by the spatially symmetric Brownian ratchet

    Taku Ohara, Takeo Nakano, Daichi Torii

    Proc. 2nd International Symposium on Micro and Nano Technology　390-393　2006

  93. Thermally driven ion transport by the spatially symmetric Brownian ratchet

    Taku Ohara, Takeo Nakano, Daichi Torii

    Proc. 2nd International Symposium on Micro and Nano Technology　390-393　2006

  94. C131 Molecular Thermal Study on Energy Transfer at Solid-Liquid Interfaces

    TORII Daichi, ISHIDA Kenji, OHARA Taku

    Procee[d]ings of Thermal Engineering Conference　2005　109-110　2005/11/02

    Publisher: The Japan Society of Mechanical Engineers

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    Molecular dynamics simulation has been performed to clarify the mechanism and characteristics of the energy transfer at the solid-liquid interfaces. The system consists of a pair of parallel solid walls and a liquid film in between. The solid walls have different temperatures in order to generate a constant thermal energy flux, and three kinds of crystal planes that contact the liquid are employed. Investigating the intermolecular energy transfer at the solid-liquid interfaces, the characteristics of the energy transfer are found to be greatly influenced by the molecular surface configuration of the solid walls and the mechanism of the energy transfer is clarified.

  95. AM05-06-002 Influence of characteristics of solid wall surface on nanoscale Couette flow

    Ohara Taku, Torii Daichi

    2005　96-96　2005

    Publisher: 日本流体力学会

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    The Couette flow of an ultra-thin liquid film between solid surfaces has been studied by a molecular dynamics simulation. A liquid of diatomic molecules and liquid water were assumed for the film liquid, and transfer of energy and momentum both in liquid film and at the solid-liquid interface was analyzed. It was revealed that the flow has peculiar characteristics when shear at high rate is given to the liquid. Highly nonequilibrium energy distribution occurs in the liquid just close to the solid surface in the process of energy conversion from flow to thermal one, i.e., viscous heating in a macroscopic sense, and energy transfer among degrees of freedom for rotational motion of molecules and translational one. Influence of the molecular scale structure of the solid surface is revealed in the present study.

  96. Energy and momentum transfer in an ultra-thin liquid water film sheared between solid surfaces

    Daichi Torii, Taku Ohara

    Proc. Engineering Conference International, Heat Transfer and Fluid Flow in Microscale　CD-ROM　2005

  97. Energy and momentum transfer in an ultra-thin liquid water film sheared between solid surfaces

    Daichi Torii, Taku Ohara

    Proc. Engineering Conference International, Heat Transfer and Fluid Flow in Microscale　CD-ROM　2005

  98. Molecular dynamics study on ultrathin liquid film sheared between solid surfaces

    Daichi Torii, Taku Ohara

    Trans. JSME, Ser. B　71　(710)　2507-2514　2005

  99. Thinking about "quality" of heat conduction flux

    Taku Ohara

    Thermophysical Properties　19　(3)　181-184　2005

  100. Molecular dynamics simulation of ultrathin liquid water film sheared between solid walls

    TORII Daichi, OHARA Taku

    The Computational Mechanics Conference　2004　(17)　537-538　2004/11/17

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 1348-026X

  101. Energy and momentum transfer at solid-liquid interfaces : Influence of the crystal plane

    TORII Daichi, OHARA Taku

    Procee[d]ings of Thermal Engineering Conference　2004　139-140　2004/11/10

    Publisher: The Japan Society of Mechanical Engineers

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    Molecular dynamics simulation has been performed on pairs of solid walls and liquid films in between. As a shear is given to the liquid film by moving the solid walls, the Couette-like flow is generated in the liquid film and energy conversion occurs from the macroscopic flow to the thermal one, i.e., viscous heating in the macroscopic sense. In such a way, momentum transfer and thermal energy transfer are present simultaneously. At the solid-liquid interfaces, there exist large velocity and temperature jumps due to the large momentum and heat fluxes. It has been revealed in our present study that the characteristics of the energy and momentum transfer at the interfaces are greatly influenced by the crystal plane of the solid walls which contacts to the liquid film.

  102. On Receiving Heat Transfer Society Award for Scientific Contribution

    OHARA Taku, MAJUMDAR Arun

    43　(181)　5-5　2004/07/01

    ISSN： 1344-8692

  103. B234 Study on the Couette Flow of Nano-scale Liquid Film between Sliding Solid Surfaces

    OHARA Taku, TORII Daichi

    2004　292-293　2004

    Publisher: 日本流体力学会

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    The Couette flow of an ultra-thin liquid film between solid surfaces has been studied by a molecular dynamics simulation. A liquid of diatomic molecules and liquid water were assumed for the film liquid, and transfer of energy and momentum both in liquid film and at the solid-liquid interface was analyzed. It was revealed that the flow has peculiar characteristics when shear at high rate is given to the liquid due to velocity difference between the two solid walls. Highly nonequilibrium energy distribution occurs in the liquid just close to the solid surface in the process of energy conversion from flow to thermal one, i.e., viscous heating in a macroscopic sense, and energy transfer among degrees of freedom for rotational motion of molecules and translational one.

  104. Energy and momentum transfer in a lubrication liquid film

    OHARA Taku

    The Computational Mechanics Conference　2003　(16)　213-214　2003/11/22

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 1348-026X

  105. Energy and Momentum Transfer at a Solid-Liquid Interface

    OHARA Taku, SHIBAHARA Masahiko

    Procee[d]ings of Thermal Engineering Conference　2003　297-298　2003/11/10

    Publisher: The Japan Society of Mechanical Engineers

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    Energy and momentum transfer at a solid-liquid interface has peculiar characteristics when shear at high rate is applied to the liquid by the moving solid wall. It has been showed in the previous report of ours on this problem for a monatomic liquid film that highly nonequilibrium energy distribution occurs in the liquid just close to the solid surface in the process of energy conversion from flow to thermal one, i.e., viscous heating in the macroscopic sense. This phenomenon will be more complicated for the case with polyatomic liquid, where degree of freedom in rotational motion plays an important role in energy transfer. The present report is on the molecular dynamics study of this phenomenon, in which diatomic molecules are applied for the sheared liquid.

  106. Molecular dynamics study on lubrication liquid film

    Ohara Taku

    The Computational Mechanics Conference　2002　(15)　599-600　2002/10/30

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 1348-026X

  107. Molecular Dynamics in Thermofluid Engineering

    Takashi Tokumasu, Taku Ohara

    日本数値流体力学会誌,日本数値流体力学会　10　41-46　2002

  108. Separation of DNA by a Microchip

    OHARA Taku

    40　(165)　7-7　2001/11/01

    ISSN： 0910-7851

  109. Intermolecular Energy Transfer in Liquid Water and Its Contribution to Heat Conduction : A Molecular Dynamics Study

    OHARA Taku

    2001　5-8　2001

    Publisher: 日本流体力学会

    ISSN： 1342-8004

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    Intermolecular energy transfer (IET) is a dominant factor in heat conduction in liquid. The IET in liquid water and its contribution to macroscopic heat conduction under a temperature gradient was analyzed by a molecular dynamics simulation. Intermolecular energy exchange rates (IEERs) for both the translational and rotational motion of molecules were defined and their characteristics examined. The IEER of hydrogen-bonded molecules and non-bonded molecules have different characteristics. In the present study, the effective rate of the IET was assumed to be proportional to the magnitude of the IEER that oscillates with a high amplitude. Based on the characteristics of the IEER, contributions of the translational and rotational IET between hydrogen-bonded molecules and non-bonded molecules to macroscopic heat conduction were evaluated. The evaluated results were compared with the results of a MD simulation of heat conduction under a constant temperature gradient, and good qualitative agreement between the predicted value and the simulated result were found. The rotational IET was found to be dominant as compared with the translational IET, and the contribution of hydrogen-bonded molecules to heat conduction was found to be relatively small. The possibility of a mechanism that cancels the IET between distant molecules and the development of a precise model for this mechanism was also discussed.

  110. Ratcheting Electrophoresis Microchip for Analysis of Biomolecules

    OHARA Taku

    Thermal Science and Engineering　9　(3)　37　2001

  111. 固液界面近傍における分子間エネルギー伝搬

    OHARA Taku

    8　(3)　19　2000

  112. Molecular Dynamics Simulation of Heat Conduction in Liquids

    OHARA Taku

    18　339-340　1999/07/29

    ISSN： 1342-8004

  113. Stimulating Studies in 36th National Heat Transfer Symposium Mass Transfer, Utilization of Thermal Energy, Molecular Scale

    OHARA Taku

    38　(151)　10-10　1999/07/01

    ISSN： 0910-7851

  114. Intermolecular Energy Transfer Characteristics of Simple Liquid in Heat Conduction

    OHARA Taku

    Thermal Science and Engineering　7　(1)　53-61　1999

    Publisher: Heat Transfer Society of Japan

    ISSN： 0918-9963

  115. Intermolecular Energy Transer Characteristics of Simple Liquid Heat Conduction

    OHARA Taku

    Thermal Science and Engineering　7　(1)　53-61　1999

  116. Microscopic Insight into Heat Conduction

    OHARA Taku

    熱物性　13　(2)　102-112　1999

  117. 水の分子間エネルギー伝搬に関する分子動力学的研究

    OHARA Taku

    6　(4)　1-8　1998

  118. Molecular Dynamics Study on Intermolecular Energy Transfer in Water

    OHARA Taku

    Thermal Science and Engineering　6　(4)　1-8　1998

  119. Numerical Analysis of Unsteady Heat Transfer of Supercritical Fluid in Closed Cells

    Ohara Taku, Aihara Toshio, Motoki Ichiro

    Memoirs of the Institute of Fluid Science, Tohoku University　8　17-24　1997/03

    Publisher: Tohoku University

    ISSN： 0916-2860

  120. 気液界面における液体水の構造

    小原 拓, 他

    第34回日本伝熱シンポジウム講演論文集　3　671-672　1997

  121. Rapid Transient Boiling Heat Transfer from a Horizontal Coated Strip in HeI

    OHARA Taku

    Cryogenic Engineering　32　(2)　66-72　1997

    Publisher: 低温工学協会

    ISSN： 0389-2441

  122. Structure of Liquid Water at the Liquid-Vapor Interface Region

    OHARA Taku

    第34回日本伝熱シンポジウム講演論文集　3　671-672　1997

  123. Molecular Dynamics Study on Phase Change and Cluster Formation in Fluids

    OHARA Taku

    Proc. Symposium on Molecular Thermo Fluid Dynamics　104-109　1995

  124. Molecular Dynamics Study on Phase Change and Cluster Formation in Fluids

    OHARA Taku

    Thermal Science and Engineering　3　(3)　7-13　1995

  125. Molecular Dynamics Study on Phase Change and Cluster Formation in Fluids

    OHARA Taku

    Proc. Symposium on Molecular Thermo Fluid Dynamics　104-109　1995

  126. Heat Transfer of a Horizontal Array of Frosted Tubes in Impinging Jets

    OHARA Taku

    Trans.Soc.Air-Conditioning and Sanitary Eng.　20　(58)　103-109　1995

    Publisher: The Society of Heating, Air-Conditioning & Sanitary Engineers of Japan

    DOI： 10.18948/shase.20.58_103 　

    ISSN： 0385-275X

    More details Close

    Heat pump systems utilizing ambient air as a heat source are widely used; however, in the case of using conventional tube banks as an evaporator, moisture in humid air freezes and forms the frost layer on tube surface, which produces a decrease in heat transfer, an increase in pressure loss, and finally choking of the evaporators. High performance heat exchanger can be expected by applying an impinging jet having high heat-transfer characteristics for the conventional tube-bank heat exchanger. In order to utilizing the impinging-jet tube-bank heat exchanger in an environment where the above-mentioned frost formation is unavoidable, the heat-transfer and frosting characteristics of a cooled tube in an impinging jet must be clarified. In the present report, a comparison is made between heat transfer of a tube in an uniform flow and that in an impinging jet, and then the possibility of improving the performance of tube-bank heat exchanger by utilizing the impinging jet is shown. After that the local heat-transfer characteristics of a cooled tube in an air impinging jet and the influence of frosting on them are analyzed in an intensive experiment. The results obtained in the present report are as follows; (1) The heat transfer of a heated tube in an impinging jet is much higher than that in a uniform flow when they are compared at the same superficial velocity. (2) The transient frost-layer thickness, local heat-transfer coefficient, and the circumferential distribution of overall local Nusselt number were clarified. (3) In the test conditions applied in the present study, the heat transfer of a frosted tube is less than that of the heated tubes because the effect of the increase of thermal resistance due to the frost layer is dominant as compared with the effects of the latent-heat release and increase of heat-transfer area due to frosting. (4) Finally the ratio of the convection thermal resistance between the surface of the frost layer and air flow to the total thermal resistance between tube surface and air flow including that of frost layer was obtained and shown by an empirical formula as a function of time and temperature difference between inlet air and tube surface.

  127. Molecular Dynamics Study on Phase Change and Cluster Formation in Fluids

    OHARA Taku

    Thermal Science and Engineering　3　(3)　7-13　1995

  128. [Molecular Dynamics Study on cluster Structure of Water]

    OHARA Taku

    Trans. JSME, Ser. B　60　(570)　496-503　1994

  129. Visualization of cluster formation of water molecules

    OHARA Taku, AIHARA Toshio

    Transactions of Visualization Society of Japan　13　(1)　107-108　1993

    Publisher: The Visualization Society of Japan

    DOI： 10.3154/jvs.13.Supplement1_107 　

    ISSN： 0916-4731

    More details Close

    Huge amount of information about velocities and locations of individual molecules is derived in the molec-ular dynamics calculation. On the other hand it is difficult to understand from these results how molecules behave. The authors have been studying about microscopic structure of water in a wide range of temperature and density, including liquid-gas coexistence region and near the critical point. The motion of 256 water molecules in a cubic cell is analyzed by molecular dynamics calculations. Visualization of molecules' location and animation of molecules' motion are successfully performed in the present report to see how molecular structure is formed.

  130. Microscopic Insight into Liquid

    OHARA Taku

    Journal of the Japan Society of Mechanical Engineers　96　(892)　180-183　1993

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 0021-4728

  131. Visualization of Cluster Formation of Water Molecules

    OHARA Taku

    Journal of the Visualization Society of Japan　13　(1)　107-108　1993

    Publisher: The Visualization Society of Japan

    DOI： 10.3154/jvs.13.Supplement1_107 　

    ISSN： 0916-4731

    More details Close

    Huge amount of information about velocities and locations of individual molecules is derived in the molec-ular dynamics calculation. On the other hand it is difficult to understand from these results how molecules behave. The authors have been studying about microscopic structure of water in a wide range of temperature and density, including liquid-gas coexistence region and near the critical point. The motion of 256 water molecules in a cubic cell is analyzed by molecular dynamics calculations. Visualization of molecules' location and animation of molecules' motion are successfully performed in the present report to see how molecular structure is formed.

  132. Liquid Film Formation on a Rotating Disk

    OHARA Taku

    Heat Transfer Japanese Research　20　(1)　36-55　1991

  133. Liquid Film Formation on a Rotating Disk (Numerical Analysis at the Initial Stage)

    MATSUMOTO Y., OHARA Taku, TERUYA Isao, OHASHI Hideo

    JSME Int. J. Series II　32　52-52　1989

    Publisher: The Japan Society of Mechanical Engineers

    ISSN： 0914-8817

    More details Close

    Unsteady liquid film flow on a rotating disk which is related to a spin coating technique to form a uniform thin film on a plate is calculated numerically. A newly developed calculation method which takes the surface tension on the liquid surface into account is applied. The numerical results reveal the following : the hemispherical liquid on the disk, which starts to rotate impulsively from rest, spreads by gravitational forces at the first stage. The development of the distribution of radial and azimuthal velocities is affected complicatedly by the Coriolis forces, viscous forces and centrifugal forces. The liquid spreads mainly by centrifugal forces and forms a uniform thin film on the disk at the last stage. The surface tension only show a little influence on the spreading process at the first stage.

  134. Liquid Film Formation on a Rotating Disk (2nd Report)

    OHARA Taku

    Trans. of Japan Society of Mechanical Engineers　55　(514)　1989

  135. 粒子の流れ場に対する追従性に関する数値解析

    李 英浩, 小原 拓, 松本 洋一郎

    東京大学工学部総合試験所年報　(47)　p163-166　1988/09

    Publisher: 東京大学工学部総合試験所

    ISSN： 0371-3067

Show all ︎Show first 5

Books and Other Publications 16

  1. マイクロ・ナノ熱工学の進展

    小原 拓

    エヌ・ティー・エス　2021/05

  2. マイクロ・ナノ熱工学の進展

    松原裕樹, 小原 拓

    エヌ・ティー・エス　2021/05

  3. マイクロ・ナノ熱工学の進展

    菊川豪太, 松原裕樹, 小原 拓

    エヌ・ティー・エス　2021/05

  4. 高熱伝導材料の開発～さらなる熱伝導率の向上のために～

    小原拓

    技術情報協会　2019/07

  5. ナノ・マイクロスケール熱物性ハンドブック

    養賢堂　2014

  6. 計算力学ハンドブック

    日本機械学会　2009

  7. Nano-mega scale flow dynamics in highly coupled systems

    Taku Ohara, Daichi Torii

    Tohoku University Press　2008

  8. Capter 4, Transport phenomena in nanoscale solid-liquid structures

    Tohoku University Press　2008

  9. Handbook of Mechanical Engineering, Vol. A5, Thermal Engineering

    OHARA Taku

    Japanese Society of Mechanical Engineering　2006/10

  10. マイクロ・ナノ熱流体ハンドブック

    OHARA Taku

    NTS pub.　2006/06

  11. Heat and Fluid Flow in Microscale and Nanoscale Structures

    Taku Ohara

    WIT Press　2004/07

  12. 新機能性材料のNEMSへの展開

    小原 拓, 日本機械工業連合会

    マイクロマシンセンター　2004

  13. 環境と省エネルギーのためのエネルギー新技術大系

    相原利雄, 小原 拓, 日本伝熱学会編

    エヌ・ティー・エス　1996

  14. Experiment in Heat Transfer and ThermodynamicsMeasurement of Heat and Mass Transfer from a Body in Air-Water Mist flow

    Toshio Aihara, Taku Ohara

    1994

  15. Molecular Dynamics Study on Structure of Near Critical Water

    1994

  16. Liquid Film Formation on a Rotating Disk

    1990

Show all Show first 5

Presentations 304

  1. グラフェン上における液体流動発電の出力密度定量

    栗谷京生, 落合耕太朗, Golap Kalita, 種村眞幸, 小宮敦, 菊川豪太, 小原拓, 山下一郎, Fumio S. Ohuchi, M. Meyyappan, 寒川誠二, 鷲尾勝由, 岡田健

    2020年応用物理学東北支部 第75回学術講演会　2020/12/04

  2. PEG基自己組織化単分子層修飾によるAu/水界面の熱抵抗低減

    八木貴志, 山下雄一郎, 佐藤正秀, Leton Chandra Saha, 菊川豪太, 小原拓

    第41回日本熱物性シンポジウム　2020/10/30

  3. 平衡分子動力学シミュレーションによるパラフィン/ナノグラフェンコンポジット有効熱伝導率の評価

    松原裕樹, 小原拓

    第41回日本熱物性シンポジウム　2020/10/28

  4. Dry-surface法による遮蔽クーロン相互作用を有する系の固液界 面の付着仕事算出

    Surblys Doatas, Muller-Plathe Florian, Taku Ohara

    日本流体力学会年会2020　2020/09/19

  5. Molecular dynamics investigation of the effect of surfactant adsorption on reducing contact thermal resistance between two solid surfaces

    郭 玉婷, Surblys Donatas, 川越 吉晃, 松原 裕樹, 小原 拓

    第57回日本伝熱シンポジウム　2020/06

  6. Computing the work of adhesion from interfaces with damped Coulomb interactions via dry-surface method

    2020/06

  7. Molecular dynamics study on the effect of surfactant adsorption on heat transport at solid-liquid interface

    Bao Yunhao, MATSUBARA Hiroki, KAWAGOE Yoshiaki, Donatas Surblys, Yuting GUO, OHARA Taku

    2020/06

  8. ナノ粒子懸濁液のエネルギー輸送機構に関する分子動力学的研究

    山本幸宏, 藤原邦夫, 植木祥高, 小原拓, 芝原正彦

    第57回日本伝熱シンポジウム　2020/06

  9. 交互累積膜内の面内および面垂直方向熱輸送に関する分子動力学解析

    川越 吉晃, Surblys Donatas, 松原 裕樹, 菊川 豪太, 岡部 朋永, 小原 拓

    第57回日本伝熱シンポジウム　2020/06

  10. パラフィン-ナノグラフェンコンポジット中の熱輸送に対する分子ス ケールの描像

    松原 裕樹, 伊藤 豪志, 小原 拓

    第57回日本伝熱シンポジウム　2020/06

  11. 固液界面での界面熱コンダクタンスに対する表面粗さと液体分子長の影響に関する分子動力学研究

    李 一凝, Donatas Surblys, 松原 裕樹, 川越 吉晃, 郭 玉婷, 小原 拓

    第57回日本伝熱シンポジウム　2020/06

  12. 水/IPA液置換挙動の分子動力学解析

    中野 雄大, スルブリス ドナタス, 菊川 豪太, 小原 拓

    第57回日本伝熱シンポジウム　2020/06

  13. 熱流スペクトル分解による自己組織化単分子膜と溶媒の界面における熱伝導の理解

    菊川豪太, 小原拓

    第32回数値流体力学シンポジウム　2018/12/12

  14. 界面活性剤吸着が固液界面の熱伝導に及ぼす影響に関する分子動力学研究

    Guo Yuting, Surblys Donatas, 川越吉晃, 松原裕樹, Liu Xiao, 小原拓

    第32回数値流体力学シンポジウム　2018/12/12

  15. 固体表面間の極薄液膜における熱輸送に関する分子動力学的解析

    劉瀟、Surblys Donatas, 川越吉晃, Saleman Abdul Rafeq, 松原裕樹, 菊川豪太, 小原拓

    第32回数値流体力学シンポジウム　2018/12/12

  16. ポリアクリル酸の熱伝導特性に関する分子動力学解析

    川越吉晃, Surblys Donatas, 菊川豪太, 小原拓

    第32回数値流体力学シンポジウム　2018/12/12

  17. ナノスケール微細構造における熱交換機構に関する分子動力学解析

    Surblys Donatas, 川越吉晃, 芝原正彦, 小原拓

    第32回数値流体力学シンポジウム　2018/12/12

  18. 熱伝導率の分子スケール構成要素に対するGreen-Kubo式

    松原裕樹, 菊川豪太, 石切山守, 山下征士, 小原拓

    日本熱物性シンポジウム　2018/11/13

  19. Kinetic model for molecular transport of liquid mixtures in the vicinity of solid-liquid interfaces International-presentation

    Mamoru Hirasawa, Gota Kikugawa, Takeo Nakano, Taku Ohara

    16th International Heat Tarnsfer Conference　2018/08/15

  20. A molecular dynamics study on thermophysical and transport properties of fluorinated alkane liquids International-presentation

    Gota Kikugawa, Naoki Minami, Yingping Fang, Mitsuru Nemoto, Hiroki Matsubara, Taku Ohara

    16th International Heat Tarnsfer Conference　2018/08/11

  21. 分子動力学シミュレーションによる会合性液体中熱伝導の分子メカニズムの解析

    松原裕樹, 菊川豪太, 石切山守, 山下征士, 小原拓

    第55回日本伝熱シンポジウム　2018/05/30

  22. 有機分子修飾膜界面における固液親和性の分子動力学的研究

    菊川豪太, 菅原大樹, 小原拓

    第55回日本伝熱シンポジウム　2018/05/30

  23. ナノ粒子による液体の熱伝導率変化に関する分子動力学的研究

    大茂 昌史, 藤原 邦夫, 植木 祥高, 芝原 正彦, 小原 拓

    第55回日本伝熱シンポジウム　2018/05/29

  24. 分子熱流体解析に基づく分子界面修飾とナノ熱界面材料による固体接合界面熱抵抗低減 Invited

    小原 拓

    日本学術振興会アモルファス・ナノ材料第147委員会第142回研究会　2018/04/19

  25. Analysis of molecular energy transfer in liquids toward the design of thermal medium International-presentation Invited

    Taku Ohara

    Korea-Japan Joint Seminar on Heat Transfer VII　2018/03/24

  26. ポリマー液体・ソフトマター中の熱輸送と固体接合界面熱抵抗低減

    小原拓, 菊川豪太, 松原裕樹

    第65回応用物理学会春季学術講演会 「有機・無機複合材料で放熱問題に挑む」　2018/03/19

  27. 2成分混合単純液体の分子スケール熱伝導

    日本機械学会東北支部第51期総会講演会　2016

  28. フルオロカーボンSAM界面の熱輸送特性に関する分子動力学的研究

    日本機械学会東北支部第51期総会講演会　2016

  29. A molecular dynamics study on molecular diffusion in liquids of water and IPA in the vicinity of solid surfaces and in liquid mixture

    First Pacific Rim Thermal Engineering Conference　2016

  30. Molecular dynamics study on influences of slit structures on thermal resistance and energy transport mechanism at a liquid-solid interface

    First Pacific Rim Thermal Engineering Conference　2016

  31. 熱流体の分子設計

    日本伝熱学会東北支部総会　2016

  32. アルカン・アルコール液体の熱伝導率と分子スケール熱伝搬特性の関係

    第53回日本伝熱シンポジウム　2016

  33. フルオロカーボン系SAMと各種溶媒の界面熱輸送と界面親和性に関する分子論的研究

    第53回日本伝熱シンポジウム　2016

  34. フッ素系SAM－溶媒界面における熱輸送特性に対するフルオロカーボン長さの影響

    日本機械学会2016年度年次大会　2016

  35. Molecular dynamics mechanism of heat conduction in 1-butyl-3-methylimidazolium ionic liquid

    11th Asian Thermophysical Properties Conference　2016

  36. Molecular mechanism of heat conduction in linear alcohol liquids: Effect of chain length

    11th Asian Thermophysical Properties Conference　2016

  37. Molecular thermophysical properties toward the design of liquids and soft matters

    11th Asian Thermophysical Properties Conference　2016

  38. Molecular dynamics mechanism to determine viscosity of thermal medium liquids

    4th International Forum on Heat Transfer　2016

  39. Molecular mechanism for thermal boundary conductance over fluorinated SAM-solvent interfaces

    4th International Forum on Heat Transfer　2016

  40. Thermal rectification over solid-liquid interfaces of gold (Au) contacting liquid methane (CH4)

    4th International Forum on Heat Transfer　2016

  41. 2成分混合単純液体の分子スケール熱伝導

    日本機械学会東北支部第51期総会講演会　2016

  42. フルオロカーボンSAM界面の熱輸送特性に関する分子動力学的研究

    日本機械学会東北支部第51期総会講演会　2016

  43. A molecular dynamics study on molecular diffusion in liquids of water and IPA in the vicinity of solid surfaces and in liquid mixture

    First Pacific Rim Thermal Engineering Conference　2016

  44. Molecular dynamics study on influences of slit structures on thermal resistance and energy transport mechanism at a liquid-solid interface

    First Pacific Rim Thermal Engineering Conference　2016

  45. 熱流体の分子設計

    日本伝熱学会東北支部総会　2016

  46. アルカン・アルコール液体の熱伝導率と分子スケール熱伝搬特性の関係

    第53回日本伝熱シンポジウム　2016

  47. フルオロカーボン系SAMと各種溶媒の界面熱輸送と界面親和性に関する分子論的研究

    第53回日本伝熱シンポジウム　2016

  48. フッ素系SAM－溶媒界面における熱輸送特性に対するフルオロカーボン長さの影響

    日本機械学会2016年度年次大会　2016

  49. Molecular dynamics mechanism of heat conduction in 1-butyl-3-methylimidazolium ionic liquid

    11th Asian Thermophysical Properties Conference　2016

  50. Molecular mechanism of heat conduction in linear alcohol liquids: Effect of chain length

    11th Asian Thermophysical Properties Conference　2016

  51. Molecular thermophysical properties toward the design of liquids and soft matters

    11th Asian Thermophysical Properties Conference　2016

  52. Molecular dynamics mechanism to determine viscosity of thermal medium liquids

    4th International Forum on Heat Transfer　2016

  53. Molecular mechanism for thermal boundary conductance over fluorinated SAM-solvent interfaces

    4th International Forum on Heat Transfer　2016

  54. Thermal rectification over solid-liquid interfaces of gold (Au) contacting liquid methane (CH4)

    4th International Forum on Heat Transfer　2016

  55. ナノスケール構造中の液体における物質拡散に関する分子動力学的研究

    日本機械学会東北支部第50期総会講演会　2015

  56. 各種アルカンにおける熱伝導に関する非平衡分子動力学シミュレーション

    日本機械学会東北支部第50期総会講演会　2015

  57. A molecular dynamics analysis of water/IPA liquid displacement in the vicinity of silica interface

    Fifth International Symposium on Micro and Nano Technology　2015

  58. Influence of computational domain shape in molecular dynamics simulations on self-diffusion coefficient of bulk liquids

    Fifth International Symposium on Micro and Nano Technology　2015

  59. 自己拡散係数の計算系形状効果に関する流体力学的考察

    第52回日本伝熱シンポジウム　2015

  60. スリット状微細構造が固液界面エネルギー輸送に及ぼす影響に関する分子動力学的研究

    第52回日本伝熱シンポジウム　2015

  61. 壁面近傍のナノスケール液体における物質輸送特性

    日本機械学会2015年度年次大会　2015

  62. 自己拡散係数の有限サイズ効果に関する流体力学的解析

    日本流体力学会年会2015　2015

  63. Atomistic heat path analysis of heat transfer in chain polymer liquids

    12th International Conference on Flow Dynamics　2015

  64. Interfacial properties of binary n-alkane mixtures at the liquid-vapor interfaces

    12th International Conference on Flow Dynamics　2015

  65. Nonequilibrium molecular dynamics approach to molecular mechanisms of thermal properties in liquid

    The 3rd International Workshops on Advances in Computational Mechanics　2015

  66. 非平衡分子動力学シミュレーションを活用した定圧比熱の計算

    第36回日本熱物性シンポジウム　2015

  67. 1-ブチル-3-メチルイミゾダリウム塩系イオン液体中の熱エネルギー伝搬機構に関する分子動力学シミュレーション

    日本機械学会熱工学コンファレンス2015　2015

  68. ナノスケール構造中の液体における物質拡散に関する分子動力学的研究

    日本機械学会東北支部第50期総会講演会　2015

  69. 各種アルカンにおける熱伝導に関する非平衡分子動力学シミュレーション

    日本機械学会東北支部第50期総会講演会　2015

  70. A molecular dynamics analysis of water/IPA liquid displacement in the vicinity of silica interface

    Fifth International Symposium on Micro and Nano Technology　2015

  71. Influence of computational domain shape in molecular dynamics simulations on self-diffusion coefficient of bulk liquids

    Fifth International Symposium on Micro and Nano Technology　2015

  72. 自己拡散係数の計算系形状効果に関する流体力学的考察

    第52回日本伝熱シンポジウム　2015

  73. スリット状微細構造が固液界面エネルギー輸送に及ぼす影響に関する分子動力学的研究

    第52回日本伝熱シンポジウム　2015

  74. 壁面近傍のナノスケール液体における物質輸送特性

    日本機械学会2015年度年次大会　2015

  75. 自己拡散係数の有限サイズ効果に関する流体力学的解析

    日本流体力学会年会2015　2015

  76. Atomistic heat path analysis of heat transfer in chain polymer liquids

    12th International Conference on Flow Dynamics　2015

  77. Interfacial properties of binary n-alkane mixtures at the liquid-vapor interfaces

    12th International Conference on Flow Dynamics　2015

  78. Nonequilibrium molecular dynamics approach to molecular mechanisms of thermal properties in liquid

    The 3rd International Workshops on Advances in Computational Mechanics　2015

  79. 非平衡分子動力学シミュレーションを活用した定圧比熱の計算

    第36回日本熱物性シンポジウム　2015

  80. 1-ブチル-3-メチルイミゾダリウム塩系イオン液体中の熱エネルギー伝搬機構に関する分子動力学シミュレーション

    日本機械学会熱工学コンファレンス2015　2015

  81. バルク液体における自己拡散係数の計算系サイズおよび形状効果

    第51回日本伝熱シンポジウム　2014

  82. 微細構造が固液界面エネルギー輸送機構に及ぼす影響に関する分子動力学的研究

    第51回日本伝熱シンポジウム　2014

  83. Molecular dynamics study on influences of surface structural characteristics on thermal energy transport over liquid-solid interfaces

    15th International Heat Transfer Conference　2014

  84. Investigation of Thermal Resistance and Heat Conduction at α-Quartz-Liquid Alkane Interfaces Using Nonequilibrium Molecular Dynamics Simulations

    The 15th International Heat Transfer Conference　2014

  85. Lennard-Jonesおよび水バルク液体の自己拡散係 数に対する計算系形状の影響

    日本機械学会2014年度年次大会　2014

  86. アルカン気液界面の内在的構造と分子拡散に関する分子動力学的研究

    日本流体力学会年会2014　2014

  87. Molecular dynamics study on the influences of nanostructure on the thermal energy transport at a liquid-solid interface

    25th International Symposium on Transport Phenomena　2014

  88. Thermal Resistance between Nano-Structured Surfaces and Liquids

    Taku Ohara, Masahiko Shibahara, Gota Kikugawa, Hari Krishna Chilukoti

    Proceedings of the 14th International Symposium on Advanced Fluid Information　2014

  89. Thermal Transport in Lipid Bilayers

    Taku Ohara, Takeo Nakano, Gota Kikugawa

    Proceedings of the Eleventh International Conference on Flow Dynamics　2014

  90. Structure and transport properties at the liquid-vapor interfaces of binary n-alkane mixtures

    The 25th International Symposium on Transport Phenomena　2014

  91. 固液界面近傍におけるアルカン液体の局所的熱伝導率

    日本機械学会 熱工学コンファレンス2014　2014

  92. バルク液体の自己拡散係数に対する計算系形状の影響

    第28回分子シミュレーション討論会　2014

  93. 分子の構造の違いが分子熱輸送特性に与 える影響

    第28回分子シミュレーション討論会　2014

  94. 分子動力学計算系におけるバル ク液体の自己拡散係数に対する計算系形状の影響

    日本機械学会第27回計算力学講演会　2014

  95. 分子動力学法による鎖状アルカン液体の熱伝導解析：分岐鎖の影響

    日本機械学会第27回計算力学講演会　2014

  96. バルク液体における自己拡散係数の計算系サイズおよび形状効果

    第51回日本伝熱シンポジウム　2014

  97. 微細構造が固液界面エネルギー輸送機構に及ぼす影響に関する分子動力学的研究

    第51回日本伝熱シンポジウム　2014

  98. Molecular dynamics study on influences of surface structural characteristics on thermal energy transport over liquid-solid interfaces

    15th International Heat Transfer Conference　2014

  99. Investigation of Thermal Resistance and Heat Conduction at α-Quartz-Liquid Alkane Interfaces Using Nonequilibrium Molecular Dynamics Simulations

    The 15th International Heat Transfer Conference　2014

  100. Lennard-Jonesおよび水バルク液体の自己拡散係 数に対する計算系形状の影響

    日本機械学会2014年度年次大会　2014

  101. アルカン気液界面の内在的構造と分子拡散に関する分子動力学的研究

    日本流体力学会年会2014　2014

  102. Molecular dynamics study on the influences of nanostructure on the thermal energy transport at a liquid-solid interface

    25th International Symposium on Transport Phenomena　2014

  103. Structure and transport properties at the liquid-vapor interfaces of binary n-alkane mixtures

    The 25th International Symposium on Transport Phenomena　2014

  104. 固液界面近傍におけるアルカン液体の局所的熱伝導率

    日本機械学会 熱工学コンファレンス2014　2014

  105. バルク液体の自己拡散係数に対する計算系形状の影響

    第28回分子シミュレーション討論会　2014

  106. 分子の構造の違いが分子熱輸送特性に与 える影響

    第28回分子シミュレーション討論会　2014

  107. 分子動力学計算系におけるバル ク液体の自己拡散係数に対する計算系形状の影響

    日本機械学会第27回計算力学講演会　2014

  108. 分子動力学法による鎖状アルカン液体の熱伝導解析：分岐鎖の影響

    日本機械学会第27回計算力学講演会　2014

  109. Investigation of Interfacial Properties at α-Quartz/Alkane Interfaces Using Molecular Dynamics Simulations

    Hari Krishna Chikukoti, G. Kikugawa, T. Ohara

    Proceedings of the 2nd International Conference on Advancements in Engineering and Management　2013

  110. Heat Effect of Cross-Linking on Heat Conduction of Amorphous Polymers

    MRS (Materials Research Society) Spring Meeting 2013　2013

  111. アモルファスポリマー内の架橋による熱伝導特性への影響

    第50回日本伝熱シンポジウム　2013

  112. ナノメートルスケールの微細構造が固液界面エネルギー輸送機構に及ぼす影響

    第50回日本伝熱シンポジウム　2013

  113. 気液瞬時界面近傍における液体アルカンの構造

    第50回日本伝熱シンポジウム　2013

  114. 銅基盤上のアルカンチオールSAMの構造と熱輸送特性

    第50回日本伝熱シンポジウム　2013

  115. Mass Transport Characteristics of Water/IPA at Silica-Liquid Interfaces

    ASME 2013 11th International Conference on Nanochannels, Microchannels and Minichannels　2013

  116. Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid

    Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto

    Proceedings of the ASME 2013 Summer Heat Transfer Conference　2013

  117. Intrinsic Structure and Diffusion at the Liquid-Vapor Interfaces of Alkanes by Molecular Dynamics Simulation

    ASME 2013 Summer Heat Transfer Conference　2013

  118. 架橋を有するアモルファスポリマー材料における熱輸送機構の解明

    日本機械学会2013年度年次大会　2013

  119. Heat Conduction in Amorphous Polymers with Crosslink Formation

    4th International Symposium on Micro and Nanotechnology　2013

  120. Molecular Dynamics Study on the Influences of Nanochannel Geometry on the Energy Transport Mechanism at Liquid-Solid Interfaces

    4th International Symposium on Micro and Nanotechnology　2013

  121. SiO2固体壁近傍における水およびIPAの物質輸送特性に関する分子動力学的研究

    日本機械学会熱工学コンファレンス2013　2013

  122. Molecular Dynamics Mechanism of Thermal Energy Transport in Liquid Methane Reproduced by All-Atom and United-Atom Models

    4th International Symposium on Micro and Nanotechnology　2013

  123. A Molecular Dynamics Study on Effect of Temperature on Diffusion in the Vicinity of an Alpha-Quartz Surface/Alkane Interfaces

    4th International Symposium on Micro and Nanotechnology　2013

  124. A molecular dynamics study on mass transport properties in the vicinity of SiO2-water/IPA interfaces

    4th International Symposium on Micro and Nanotechnology　2013

  125. Study of Alkane Chain Length Influence on Structure and Dynamic Properties at Intrinsic Liquid-Vapour Interfaces

    12th International Symposium on Fluid Control, Measurement and Visualization (FLUCOME2013)　2013

  126. Thermal Transport Characteristics over the Interface of Alkanethiol SAM on a Copper Substrate and Water Solvent

    12th International Symposium on Fluid Control, Measurement and Visualization (FLUCOME2013)　2013

  127. Surface Termination Effect on Structure of Decane Liquid in the Vicinity of Alpha-Quartz Surfaces

    Hari Krishna Chilukoti, Gota Kikugawa, Taku Ohara

    Proceedings of the International Conference on Flow Dynamics 2013　2013

  128. 微細構造が固液界面エネルギー輸送機構に及ぼす影響に関する分子動力学的研究

    第27回数値流体力学シンポジウム　2013

  129. Heat Effect of Cross-Linking on Heat Conduction of Amorphous Polymers

    MRS (Materials Research Society) Spring Meeting 2013　2013

  130. アモルファスポリマー内の架橋による熱伝導特性への影響

    第50回日本伝熱シンポジウム　2013

  131. ナノメートルスケールの微細構造が固液界面エネルギー輸送機構に及ぼす影響

    第50回日本伝熱シンポジウム　2013

  132. 気液瞬時界面近傍における液体アルカンの構造

    第50回日本伝熱シンポジウム　2013

  133. 銅基盤上のアルカンチオールSAMの構造と熱輸送特性

    第50回日本伝熱シンポジウム　2013

  134. Mass Transport Characteristics of Water/IPA at Silica-Liquid Interfaces

    ASME 2013 11th International Conference on Nanochannels, Microchannels and Minichannels　2013

  135. Intrinsic Structure and Diffusion at the Liquid-Vapor Interfaces of Alkanes by Molecular Dynamics Simulation

    ASME 2013 Summer Heat Transfer Conference　2013

  136. 架橋を有するアモルファスポリマー材料における熱輸送機構の解明

    日本機械学会2013年度年次大会　2013

  137. Heat Conduction in Amorphous Polymers with Crosslink Formation

    4th International Symposium on Micro and Nanotechnology　2013

  138. Molecular Dynamics Study on the Influences of Nanochannel Geometry on the Energy Transport Mechanism at Liquid-Solid Interfaces

    4th International Symposium on Micro and Nanotechnology　2013

  139. SiO2固体壁近傍における水およびIPAの物質輸送特性に関する分子動力学的研究

    日本機械学会熱工学コンファレンス2013　2013

  140. Molecular Dynamics Mechanism of Thermal Energy Transport in Liquid Methane Reproduced by All-Atom and United-Atom Models

    4th International Symposium on Micro and Nanotechnology　2013

  141. A Molecular Dynamics Study on Effect of Temperature on Diffusion in the Vicinity of an Alpha-Quartz Surface/Alkane Interfaces

    4th International Symposium on Micro and Nanotechnology　2013

  142. A molecular dynamics study on mass transport properties in the vicinity of SiO2-water/IPA interfaces

    4th International Symposium on Micro and Nanotechnology　2013

  143. Study of Alkane Chain Length Influence on Structure and Dynamic Properties at Intrinsic Liquid-Vapour Interfaces

    12th International Symposium on Fluid Control, Measurement and Visualization (FLUCOME2013)　2013

  144. Thermal Transport Characteristics over the Interface of Alkanethiol SAM on a Copper Substrate and Water Solvent

    12th International Symposium on Fluid Control, Measurement and Visualization (FLUCOME2013)　2013

  145. 微細構造が固液界面エネルギー輸送機構に及ぼす影響に関する分子動力学的研究

    第27回数値流体力学シンポジウム　2013

  146. Structure and Transport Characteristics at Liquid-Vapor Interfaces of Alkanes

    第49回日本伝熱シンポジウム　2012

  147. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    第49回日本伝熱シンポジウム　2012

  148. SiO2－水/IPA界面近傍における液膜中の構造と物質輸送に関する分子動力学的研究

    第49回日本伝熱シンポジウム　2012

  149. All-atomモデルによる各種アルカン飽和液中の熱伝導に関する分子動力学シミュレーション

    第49回日本伝熱シンポジウム　2012

  150. Thermal Resistance between Nano-Structured Surfaces and Liquids

    M. Shibahara, T. Ohara, G. Kikugawa

    Proceedings of the 9th International Conference on Fluid Dynamics　2012

  151. Molecular Dynamics Study on Effect of Chain Length on Liquid-Vapor Interfacial Properties of alkanes

    Hari Krishna Chikukoti, G. Kikugawa, T. Ohara

    Proceedings of the 9th International Conference on Fluid Dynamics　2012

  152. 直鎖アルカン飽和液中の熱エネルギー伝搬機構に関するAll-Atom分子動力学シミュレーション

    日本機械学会2012年度年次大会　2012

  153. ナノメートルスケールの微細構造が固液界面の熱抵抗とエネルギー輸送に与える影響に関する分子動力学的研究

    日本機械学会2012年度年次大会　2012

  154. SiO2－水/IPA界面近傍における液膜中の構造と物質輸送に対する温度の影響

    日本機械学会第4回マイクロ・ナノ工学シンポジウム　2012

  155. A Molecular Dynamics Study on Molecular Scale Structure and Mass Transport Properties in the Vicinity of SiO2-Water/IPA Interfaces

    3rd International Forum on Heat Transfer　2012

  156. SiO2-水/IPA界面近傍での液膜構造と物質輸送に関する分子動力学的研究

    日本機械学会熱工学コンファレンス2012　2012

  157. Molecular Dynamics Simulation of Liquid-Vapor Interfacial Properties of n-Alkanes

    3rd International Forum on Heat Transfer　2012

  158. Molecular Dynamics Study on the Influences of Nanostructure Geometry on the Energy Transport and Local Non-Equilibrium Behavior at Liquid-Solid Interfaces

    23rd International Symposium on Transport Phenomena　2012

  159. 流体の熱輸送を支配する分子動力学機構

    大阪大学機械工学系第63回技術交流会　2012

  160. SiO2-水/IPA界面近傍における物質輸送に関する分子動力学的研究（吸着層内での分子の挙動とエネルギー状態）

    第26回数値流体力学シンポジウム　2012

  161. Structure and Transport Characteristics at Liquid-Vapor Interfaces of Alkanes

    第49回日本伝熱シンポジウム　2012

  162. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    第49回日本伝熱シンポジウム　2012

  163. SiO2－水/IPA界面近傍における液膜中の構造と物質輸送に関する分子動力学的研究

    第49回日本伝熱シンポジウム　2012

  164. All-atomモデルによる各種アルカン飽和液中の熱伝導に関する分子動力学シミュレーション

    第49回日本伝熱シンポジウム　2012

  165. 直鎖アルカン飽和液中の熱エネルギー伝搬機構に関するAll-Atom分子動力学シミュレーション

    日本機械学会2012年度年次大会　2012

  166. ナノメートルスケールの微細構造が固液界面の熱抵抗とエネルギー輸送に与える影響に関する分子動力学的研究

    日本機械学会2012年度年次大会　2012

  167. SiO2－水/IPA界面近傍における液膜中の構造と物質輸送に対する温度の影響

    日本機械学会第4回マイクロ・ナノ工学シンポジウム　2012

  168. A Molecular Dynamics Study on Molecular Scale Structure and Mass Transport Properties in the Vicinity of SiO2-Water/IPA Interfaces

    3rd International Forum on Heat Transfer　2012

  169. SiO2-水/IPA界面近傍での液膜構造と物質輸送に関する分子動力学的研究

    日本機械学会熱工学コンファレンス2012　2012

  170. Molecular Dynamics Simulation of Liquid-Vapor Interfacial Properties of n-Alkanes

    3rd International Forum on Heat Transfer　2012

  171. Molecular Dynamics Study on the Influences of Nanostructure Geometry on the Energy Transport and Local Non-Equilibrium Behavior at Liquid-Solid Interfaces

    23rd International Symposium on Transport Phenomena　2012

  172. 流体の熱輸送を支配する分子動力学機構

    大阪大学機械工学系第63回技術交流会　2012

  173. SiO2-水/IPA界面近傍における物質輸送に関する分子動力学的研究（吸着層内での分子の挙動とエネルギー状態）

    第26回数値流体力学シンポジウム　2012

  174. A Molecular Dynamics Study on Heat Transfer Characteristics over the Interface of Self-Assembled Monolayer and Water Solvent

    ASME/JSME 2011 8th Thermal Engineering Joint Conference　2011

  175. Effect of Alkyl Chain Length on Molecular Heat Transfer Characteristics in Lipid Bilayers

    ASME/JSME 2011 8th Thermal Engineering Joint Conference　2011

  176. Effects of the Nanostructural Geometry at a Liquid-Solid Interface on the Interfacial Thermal Resistance and the Liquid Molecular Non-Equilibrium Behaviors

    ASME/JSME 2011 8th Thermal Engineering Joint Conference　2011

  177. SiO2－水界面近傍における分子スケール構造と物質輸送に関する分子動力学的研究

    第48回日本伝熱シンポジウム　2011

  178. 自己組織化膜修飾界面によるアルカン極薄液膜のせん断に関する分子動力学シミュレーション

    第48回日本伝熱シンポジウム　2011

  179. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    第48回日本伝熱シンポジウム　2011

  180. Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces

    4th International Conference on Heat Transfer and Fluid Flow in Microscale　2011

  181. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    日本機械学会2011年度年次大会　2011

  182. SiO2－水／IPA界面近傍における構造と物質輸送に関する分子動力学的研究

    熱工学コンファレンス　2011

  183. 親水性および疎水性SAMと水溶媒の界面における熱輸送特性の詳細解析

    熱工学コンファレンス2011　2011

  184. 液体メタンの熱伝導を支配する分子動力学機構

    第32回日本熱物性シンポジウム　2011

  185. All-atomモデルによるアルカン飽和液中の熱伝導に関する分子動力学シミュレーション

    第25回数値流体力学シンポジウム　2011

  186. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    第25回数値流体力学シンポジウム　2011

  187. The midle way: Transport Phenomena in Soft Matters

    7th NSF-JSPS US-Japan Joint Seminar on Nanoscale Transport Phenomena - Science and Engineering -　2011

  188. A Molecular Dynamics Study on Heat Transfer Characteristics over the Interface of Self-Assembled Monolayer and Water Solvent

    ASME/JSME 2011 8th Thermal Engineering Joint Conference　2011

  189. Effect of Alkyl Chain Length on Molecular Heat Transfer Characteristics in Lipid Bilayers

    ASME/JSME 2011 8th Thermal Engineering Joint Conference　2011

  190. Effects of the Nanostructural Geometry at a Liquid-Solid Interface on the Interfacial Thermal Resistance and the Liquid Molecular Non-Equilibrium Behaviors

    ASME/JSME 2011 8th Thermal Engineering Joint Conference　2011

  191. SiO2－水界面近傍における分子スケール構造と物質輸送に関する分子動力学的研究

    第48回日本伝熱シンポジウム　2011

  192. 自己組織化膜修飾界面によるアルカン極薄液膜のせん断に関する分子動力学シミュレーション

    第48回日本伝熱シンポジウム　2011

  193. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    第48回日本伝熱シンポジウム　2011

  194. Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces

    4th International Conference on Heat Transfer and Fluid Flow in Microscale　2011

  195. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    日本機械学会2011年度年次大会　2011

  196. SiO2－水／IPA界面近傍における構造と物質輸送に関する分子動力学的研究

    熱工学コンファレンス　2011

  197. 親水性および疎水性SAMと水溶媒の界面における熱輸送特性の詳細解析

    熱工学コンファレンス2011　2011

  198. 液体メタンの熱伝導を支配する分子動力学機構

    第32回日本熱物性シンポジウム　2011

  199. All-atomモデルによるアルカン飽和液中の熱伝導に関する分子動力学シミュレーション

    第25回数値流体力学シンポジウム　2011

  200. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    第25回数値流体力学シンポジウム　2011

  201. The midle way: Transport Phenomena in Soft Matters

    7th NSF-JSPS US-Japan Joint Seminar on Nanoscale Transport Phenomena - Science and Engineering -　2011

  202. Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents

    Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport - 2010　2010

  203. SAM-溶媒界面の熱輸送特性に対する親水性・疎水性の影響

    第47回日本伝熱シンポジウム　2010

  204. 脂質二重膜の熱伝導特性に対する炭化水素鎖長による影響

    第47回日本伝熱シンポジウム　2010

  205. 自己組織化単分子膜のための粒子配置設計支援システム

    第38回可視化情報シンポジウム　2010

  206. 脂質二重膜の熱輸送特性に対する脂質分子種の影響

    日本流体力学会年会2010　2010

  207. 自己組織化単分子膜の水溶媒界面における熱輸送特性

    日本流体力学会年会2010　2010

  208. せん断流中における脂質二重膜の運動量伝搬特性に関する分子動力学的研究

    日本機械学会2010年度年次大会　2010

  209. 酸化物固体－溶媒界面における溶質移動に関する2次元自由エネルギー局面

    日本機械学会2010年度年次大会　2010

  210. 自己組織化膜修飾が固液界面熱抵抗に与える諸影響の分子論的解析

    日本機械学会2010年度年次大会　2010

  211. 界面における熱流体輸送現象の分子動力学解析

    第１２回分子シミュレーションのトライボロジーへの応用研究会　2010

  212. 親水性および疎水性末端基を持つSAM－溶媒界面の熱輸送特性

    日本機械学会熱工学コンファレンス2010　2010

  213. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    日本機械学会熱工学コンファレンス2010　2010

  214. Effects of Nanostructural Geometry at a Liquid-Solid Interface on the Interfacial Thermal Resistance and Liquid Molecular Non-Equilibrium Behaviors

    M. Shibahara, T. Ohara

    Proc. 7th International Conference on Flow Dynamics　2010

  215. Heat Transfer Characteristics at the SAM Interface of Self-Assembled Monolayer with Hydrophobic and Hydrophilic Termini and Solvent

    G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto

    Proc. 7th International Conference on Flow Dynamics　2010

  216. Molecular Momentun Transfer Characteristics of Liquid Behaviors in Shear Flows

    T. Nakano, G. Kikugawa, T. Ohara

    Proc. 7th International Conference on Flow Dynamics　2010

  217. Transport Phenomena at Nano-Structured Interfaces

    IFS Collaborative Research Forum (AFI/TFI-2010)　2010

  218. Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents

    Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport - 2010　2010

  219. SAM-溶媒界面の熱輸送特性に対する親水性・疎水性の影響

    第47回日本伝熱シンポジウム　2010

  220. 脂質二重膜の熱伝導特性に対する炭化水素鎖長による影響

    第47回日本伝熱シンポジウム　2010

  221. 自己組織化単分子膜のための粒子配置設計支援システム

    第38回可視化情報シンポジウム　2010

  222. 脂質二重膜の熱輸送特性に対する脂質分子種の影響

    日本流体力学会年会2010　2010

  223. 自己組織化単分子膜の水溶媒界面における熱輸送特性

    日本流体力学会年会2010　2010

  224. せん断流中における脂質二重膜の運動量伝搬特性に関する分子動力学的研究

    日本機械学会2010年度年次大会　2010

  225. 酸化物固体－溶媒界面における溶質移動に関する2次元自由エネルギー局面

    日本機械学会2010年度年次大会　2010

  226. 自己組織化膜修飾が固液界面熱抵抗に与える諸影響の分子論的解析

    日本機械学会2010年度年次大会　2010

  227. 界面における熱流体輸送現象の分子動力学解析

    第１２回分子シミュレーションのトライボロジーへの応用研究会　2010

  228. 親水性および疎水性末端基を持つSAM－溶媒界面の熱輸送特性

    日本機械学会熱工学コンファレンス2010　2010

  229. 微細構造によって誘起された局所非平衡性が固液界面エネルギー輸送に及ぼす影響

    日本機械学会熱工学コンファレンス2010　2010

  230. Transport Phenomena at Nano-Structured Interfaces

    IFS Collaborative Research Forum (AFI/TFI-2010)　2010

  231. せん断流中における脂質二重膜の運動量伝搬特性

    第46回日本伝熱シンポジウム　2009

  232. マグネタイト－水界面における溶出分子の物質輸送特性

    第46回日本伝熱シンポジウム　2009

  233. SAM内部およびSAM界面における熱輸送特性の分子動力学的研究

    日本機械学会2009年度年次大会　2009

  234. コーティング液膜流れの3次元数値解析

    日本機械学会2009年度年次大会　2009

  235. せん断流動場における脂質二重膜の運動量輸送特性の異方性に関する分子動力学的研究

    日本機械学会2009年度年次大会　2009

  236. ポリマー液体の熱輸送特性に及ぼす分子内エネルギー伝搬の影響

    日本機械学会2009年度年次大会　2009

  237. 固体表面近傍の水中における物質輸送特性

    日本機械学会2009年度年次大会　2009

  238. A molecular dynamics Study on lipid bilayers in shear flows

    Takeo Nakano, Gota Kikugawa, Taku Ohara

    Proceedings of 2nd Asian Symposium on Computational Heat Transfer and Fluid Flow, Jeju　2009

  239. Heat transfer characteristics inside the SAM layer and at the SAM interfaces with organic solvents

    Gota Kikugawa, Takato Mochimaru, Taku Ohara, Toru Kawaguchi, Yoichiro Matsumoto

    Proceedings of 2nd Asian Symposium on Computational Heat Transfer and Fluid Flow, Jeju　2009

  240. SAM修飾による固液界面の界面熱抵抗低減特性

    第30回日本熱物性シンポジウム　2009

  241. ポリマー液体の熱伝導率に対する分子内エネルギー伝搬の寄与

    第30回日本熱物性シンポジウム　2009

  242. 脂質二重膜の熱伝導特性に関する分子動力学解析

    第30回日本熱物性シンポジウム講演論文集　2009

  243. Thermal energy transfer in liquids with ordered/random structures

    6th International Conference on Flow Dynamics, Sendai, GCOE, IFS-Tsinghua University Joint Workshop　2009

  244. Transport Phenomena at Nano-Structured Interfaces

    9th International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration, Sendai　2009

  245. 親和性および非親和性溶媒を用いたSAM界面熱輸送特性の分子動力学解析

    日本機械学会熱工学コンファレンス2009　2009

  246. Molecular Dynamics Study of International Thermal Resistance of Mercapto-Alkanol Self-Assembled Monolayer and Water

    ASME 2009 2nd Micro/Nanoscale Heat & Mass Transfer　2009

  247. せん断流中における脂質二重膜の運動量伝搬特性

    第46回日本伝熱シンポジウム　2009

  248. マグネタイト－水界面における溶出分子の物質輸送特性

    第46回日本伝熱シンポジウム　2009

  249. SAM内部およびSAM界面における熱輸送特性の分子動力学的研究

    日本機械学会2009年度年次大会　2009

  250. コーティング液膜流れの3次元数値解析

    日本機械学会2009年度年次大会　2009

  251. せん断流動場における脂質二重膜の運動量輸送特性の異方性に関する分子動力学的研究

    日本機械学会2009年度年次大会　2009

  252. ポリマー液体の熱輸送特性に及ぼす分子内エネルギー伝搬の影響

    日本機械学会2009年度年次大会　2009

  253. 固体表面近傍の水中における物質輸送特性

    日本機械学会2009年度年次大会　2009

  254. SAM修飾による固液界面の界面熱抵抗低減特性

    第30回日本熱物性シンポジウム　2009

  255. ポリマー液体の熱伝導率に対する分子内エネルギー伝搬の寄与

    第30回日本熱物性シンポジウム　2009

  256. 脂質二重膜の熱伝導特性に関する分子動力学解析

    第30回日本熱物性シンポジウム講演論文集　2009

  257. Thermal energy transfer in liquids with ordered/random structures

    6th International Conference on Flow Dynamics, Sendai, GCOE, IFS-Tsinghua University Joint Workshop　2009

  258. Transport Phenomena at Nano-Structured Interfaces

    9th International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration, Sendai　2009

  259. 親和性および非親和性溶媒を用いたSAM界面熱輸送特性の分子動力学解析

    日本機械学会熱工学コンファレンス2009　2009

  260. Molecular Dynamics Study of International Thermal Resistance of Mercapto-Alkanol Self-Assembled Monolayer and Water

    ASME 2009 2nd Micro/Nanoscale Heat & Mass Transfer　2009

  261. 膜・界面の輸送現象

    日本機械学会RC225分科会「マイクロ・ナノフルイディクス調査研究分科会」　2008

  262. SAM膜－溶媒界面における熱輸送特性の分子動力学解析

    第45回日本伝熱シンポジウム　2008

  263. 脂質二重膜界面における熱輸送特性

    第45回日本伝熱シンポジウム　2008

  264. 数万オーダ粒子系のイメージベース可視化

    第36回可視化情報シンポジウム　2008

  265. Thermal energy transfer in membranes and at liquid-solid interfaces

    6th NSF-ONR US-Japan Seminar on Nanoscale Transport Phenomena　2008

  266. SAM-溶媒界面における界面熱抵抗特性の分子論的研究

    日本機械学会2008年度年次大会　2008

  267. アルカン液体の固液界面におけるエネルギー・運動量伝搬特性

    日本機械学会2008年度年次大会　2008

  268. せん断流中における脂質二重膜の分子動力学的研究

    日本機械学会2008年度年次大会　2008

  269. A molecular dynamics study on heat conduction characteristics in lipid bilayer

    The Second International Forum on Heat Transfer　2008

  270. A molecular dynamics study on the heat transfer characteristics at a SAM-solvent interface

    The Second International Forum on Heat Transfer　2008

  271. Molecyular dynamics study on lipid-bilayer membranes in shear flow

    The Seventh JSME-KSME Thermal and Fluids Engineering Conference　2008

  272. Thermal boundary resistance at the interface of self-assembled monolayers

    The Seventh JSME-KSME Thermal and Fluids Engineering Conference　2008

  273. 熱工学におけるナノ

    日本機械学会熱工学部門活性化のためのワークショップ　2008

  274. A molecular dynamics study on heat transfer characteristics in lipid membranes

    The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  275. Interfacial heat transfer characteristics at the interface of self-assembled monolayers and organic solvent

    The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  276. Point sprite-based visualization of large-scale particle systems

    The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  277. 膜・界面の分子熱流動

    2008流体工学シンポジウム　2008

  278. 膜・界面の輸送現象

    日本機械学会RC225分科会「マイクロ・ナノフルイディクス調査研究分科会」　2008

  279. SAM膜－溶媒界面における熱輸送特性の分子動力学解析

    第45回日本伝熱シンポジウム　2008

  280. 脂質二重膜界面における熱輸送特性

    第45回日本伝熱シンポジウム　2008

  281. 数万オーダ粒子系のイメージベース可視化

    第36回可視化情報シンポジウム　2008

  282. Thermal energy transfer in membranes and at liquid-solid interfaces

    6th NSF-ONR US-Japan Seminar on Nanoscale Transport Phenomena　2008

  283. SAM-溶媒界面における界面熱抵抗特性の分子論的研究

    日本機械学会2008年度年次大会　2008

  284. アルカン液体の固液界面におけるエネルギー・運動量伝搬特性

    日本機械学会2008年度年次大会　2008

  285. せん断流中における脂質二重膜の分子動力学的研究

    日本機械学会2008年度年次大会　2008

  286. A molecular dynamics study on heat conduction characteristics in lipid bilayer

    The Second International Forum on Heat Transfer　2008

  287. A molecular dynamics study on the heat transfer characteristics at a SAM-solvent interface

    The Second International Forum on Heat Transfer　2008

  288. Molecyular dynamics study on lipid-bilayer membranes in shear flow

    The Seventh JSME-KSME Thermal and Fluids Engineering Conference　2008

  289. Thermal boundary resistance at the interface of self-assembled monolayers

    The Seventh JSME-KSME Thermal and Fluids Engineering Conference　2008

  290. 熱工学におけるナノ

    日本機械学会熱工学部門活性化のためのワークショップ　2008

  291. A molecular dynamics study on heat transfer characteristics in lipid membranes

    The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  292. Interfacial heat transfer characteristics at the interface of self-assembled monolayers and organic solvent

    The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  293. Point sprite-based visualization of large-scale particle systems

    The Eighth International Symposium on Advanced Fluid Information and Transdisciplinary Fluid Integration　2008

  294. 膜・界面の分子熱流動

    2008流体工学シンポジウム　2008

  295. Thermally driven ion transport by the Spatially Symmetric Brownian Ratchet

    2nd International Symposium on Micro and Nano Technology　2006

  296. Solid-liquid boundary resistance: A molecular dynamics study on intermolecular energy transfer at solid-liquid interfaces

    13th International Heat Transfer Conference　2006

  297. Transport of ions by the thermally anisotropic Brownian ratchet microchip

    17th International Symposium on Transport Phenomena　2006

  298. Ion pump by the thermally anisotropic Brownian ratchet microchip

    International Conference of Flow Dynamics 2006　2006

  299. Molecular scale governing factor on characteristics of thermal energy transfer at solid-liquid interfaces

    International Conference of Flow Dynamics 2006　2006

  300. Thermally driven ion transport by the Spatially Symmetric Brownian Ratchet

    2nd International Symposium on Micro and Nano Technology　2006

  301. Solid-liquid boundary resistance: A molecular dynamics study on intermolecular energy transfer at solid-liquid interfaces

    13th International Heat Transfer Conference　2006

  302. Transport of ions by the thermally anisotropic Brownian ratchet microchip

    17th International Symposium on Transport Phenomena　2006

  303. Ion pump by the thermally anisotropic Brownian ratchet microchip

    International Conference of Flow Dynamics 2006　2006

  304. Molecular scale governing factor on characteristics of thermal energy transfer at solid-liquid interfaces

    International Conference of Flow Dynamics 2006　2006

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Research Projects 44

  1. Study of molecular dynamics mechanisms of phase change materials for the prediction and design of their thermophysical properties

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: Tohoku University

    2024/04/01 - 2028/03/31

  2. Establishment of molecular dynamics data basis for prediction and design of thermophysical properties of liquids

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (C)

    Category: Grant-in-Aid for Scientific Research (C)

    Institution: Tohoku University

    2020/04 - 2023/03

  3. Elucidation and control of thermal transport characteristics of nanoscale solid-liquid interface complex toward the creation of novel thermal materials

    Ohara Taku

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (C)

    Institution: Tohoku University

    2017/04/01 - 2020/03/31

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    This is a fundamental study on establishing novel thermal media utilizing special (i.e., different from bulk liquids and solids) heat transfer characteristics over solid-liquid interfaces, which can be realized by using macro scale media made of solid-liquid interfaces exclusively such as multiple solid and liquid layers having thicknesses of 0.3 - 10 nm. Large-scale molecular dynamics simulations have been performed to analyze heat transfer characteristics of solid-liquid interfaces and thin liquid films sandwiched by two solid walls. It was found that the heat transfer characteristics change much influenced by some factors which include liquid film thickness, lattice-scale structure of solid surfaces, and adsorption density of liquid molecules on the solid surfaces, which leads to a new control technology of the heat transfer media by utilizing these factors as control parameters.

  4. Reduction of thermal boundary resistance at solid-solid junctions by means of molecular surface modification and nanoscale thermal interface materials Competitive

    OHARA Taku

    Offer Organization: Japan Science and Technology Agency

    System: CREST

    2017/11 -

  5. Induction mechanism of targeted gene expression by controlling spatiotemporally plasma flow at biological interface

    SATO Takehiko, JOHKURA Kohei, OHARA Taku, KANAZAWA Seiji, MIYAHARA Takashi, KOMIYA Atsuki, OHTANI Kiyonobu, YOSHINO Daisuke

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (A)

    Institution: Tohoku University

    2012/04/01 - 2015/03/31

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    The development of the formation and controlling method of the self-preserving plasma flow were accomplished by development of the high-speed high-voltage power supply, visualization system which had a very high spatiotemporal resolution and high accurate synchronous measurement system of the plasma characteristics. It has been shown that the self-preserving plasma flow makes a microscopic bubble cluster at the tip of the electrode several hundred nanoseconds after the voltage was applied, then starts propagation intermittently with a speed of about 2 kilometers per second from the tip of the protrusion of the bubbles synchronously with the pulsed discharge current. As for the induction of gene cluster expression, it has been shown by the comprehensive gene analysis that the gene cluster with functions of metabolism, immunity, regeneration, etc. expressed by weak plasma stimuli, which was different from hydrogen peroxide which was a main cause of the plasma stimuli.

  6. 熱媒流体の分子設計 Competitive

    System: その他の研究制度

    2013 -

  7. Molecular design of thermofluid Competitive

    System: The Other Research Programs

    2013 -

  8. ポリマー液体及びソフトマター中に発現する構造と熱エネルギー伝搬特性 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 基盤研究(C)

    2012 -

  9. ナノスケール固液複合システムの物質輸送特性 Competitive

    System: その他の研究制度

    2012 -

  10. Mass transport characteristics of nanoscale solid-liquid complex systems Competitive

    System: The Other Research Programs

    2012 -

  11. Mechanism of activation and inactivation of cell viability by generation and transport control of biological reactive plasma flow

    SATO Takehiko, OHARA Taku, JOHKURA Kohei, MIYAHARA Takashi

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (A)

    Institution: Tohoku University

    2009 - 2011

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    The chemical species of the biological reactive plasma flow was mainly transported by the generation of the expanding high temperature gas flow on the water surface and induced water flow due to the gas flow. Hydrogen peroxide among the stable chemical species generated by the plasma flow was identified as an important inactivation factor of the HeLa cell viability by the morphological variation process, the effect of catalase, the gene expression analysis, and so on. The energy transport in the cell membrane was affected by the transport directions and molecular types.

  12. 液体およびその界面における分子スケールヘテロ構造と熱・運動量・物質輸送特性 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 基盤研究(C)

    2009 -

  13. ナノ熱流体システムの構築を志向した液膜及び固液界面における熱・物質移動の基礎研究 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 基盤研究(C)

    2006 -

  14. ポリマーの反応性を考慮した非ニュートンリミングおよびコーティング流れの解析的研究

    FOMIN Sergei, 福西 祐, 小原 拓

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業

    Category: 基盤研究(C)

    Institution: 東北大学

    2003 - 2004

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    エリスおよびベキ乗則流体のリミング流れに関する流出条件を導出した。流出条件を満足することで、定常状態での溶解の存在を証明することができた。これらの条件より想定されるリミング流れの範囲内において、フィルムの厚さは継続的な溶解を可能にし、それは臨界前および臨界状態での流れ則を用いた予備値と一致することを示した。また、臨界状態での流れ則において、不連続な溶解挙動が予測された。エリスおよびベキ乗則流体における衝撃位置と高さに関する検討をするにあたり、定常状態理論は有効であることが示された。ベキ乗則モデルについて、流れのフィルム厚さに関する定常状態方程式の理論的解の導出に成功し、エリスモデルについて演算処理を実行した。このモデルについて解析的な漸近解が陽な形式で得られ、演算処理の結果と比較することができた。これらの解より、コーティング流れの正確なシミュレーションを行うためのエリスおよびベキ乗則の方程式におけるパラメーター値を最適化することが可能になり、流れが超臨界状態にある時に起こる定常水位急上昇の大きさと位置について、種々の流れパラメーターにおける解も決定できた。これにより、異なる多因子の溶解のための、エリスおよびベキ論の流動学的モデルの較正を呈示した。 上述した方程式の高次近似解析のための数値的アルゴリズムを導出した。高次数における流れの安定性についてのより詳細な判定法を定め、主な次数方程式から導出される結果と比較した。 長波理論の枠組みにおいて、二軸回転シリンダー上の非ニュートン流れについてのリミング流れの数学的3Dモデルを導出した。3D支配方程式の安定性解析を実施し、流れの安定性に対する二軸回転成型の影響を解析した。さらに、フィルムの一様性に対する微小重力の影響を明らかにした。

  15. 複雑媒体中の衝撃波現象の解明と学際応用

    井小萩 利明, 高山 和喜, 林 一夫, 佐宗 章弘, 齋藤 務, 小原 拓, 谷口 宏充, 井小萩 利明, 樋口 博

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業

    Category: 特別推進研究(COE)

    Institution: 東北大学

    2000 - 2004

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    特別推進研究「複雑媒体中の衝撃波現象の解明とその学際応用」では、(1)複雑組成の媒体中の衝撃波現象、(2)化学変化、相変化を伴う媒体中の衝撃波現象、(3)複雑境界を過ぎる衝撃波、また、極低温および高温境界を過ぎる衝撃波、および(4)きわめて大きな時間変動を伴う衝撃波現象を解明し、その成果を医療、地球物理など学際領域研究に発展させ、また、産業応用への展開の基盤技術の確立を目指した。また、この本研究拠点が国内外に衝撃波学際応用研究センターとなることを目標に研究を推進した。ここに、過去および最近5年間の衝撃波研究の成果が体系化され、本拠点活動が国内の衝撃波研究会活動を支援するばかりでなく、平成17年3月に国際衝撃波学会(International Shock Wave Institute)の設立に結びついたこと述べ、特別推進研究「衝撃波」を総括する。主な研究成果は: i)基礎的研究くさびを過ぎる衝撃波反射に粘性効果に起因する遷移遅れを実験と精緻な数値模擬結果との対比から、始めて実証した。この現象が凹面および凸面さらに円錐面にも現れることを明らかにし、流体力学の教科書を書き直すに足る事実を見いだしている。また、大型縦型衝撃波管内に加速度計を内蔵した球を吊し衝撃波を負荷するという巧妙な実験で、衝撃波負荷での球の非定常抗力を実測し、衝撃波ないし爆風負荷での各種形状物体の非定常抗力計測に始めて成功している。この結果は数値模擬法との組み合わせで、粉塵気体中の衝撃波伝播に非定常抗力の効果明らかにしている。縦型無隔膜衝撃波管、大型無隔膜衝撃波管などを設計法を開発して、衝撃波の実験研究の精度を飛躍的に向上させ、また、衝撃波研究に微小爆薬の爆発を導入するなど、独創的な衝撃波実験法を発展させている。高性能の二段式軽ガス銃を設備し、弾道飛行実験装置の機能を加えて、高速飛行および高速衝突の動力学の体系化に成功している。直径1mのシュリーレン鏡を導入して大視野で、高レイノルズ数流れの二重露光ホログラフィー干渉計測定法を確立し、さらに、これを位相変位ホログラフィー干渉計法を展開し、音波に近い非常に弱い衝撃波の計測に成功している。気体、液体、混相媒体中の衝撃波現象の解明に適した数値模擬法を開発している。 ii)水中衝撃波現象の解明とその医療応用 医学部の共同者と衝撃波の医療応用を推進し、衝撃波医療システムが構築されようとしている。水中でパルスレーザー光照射でのマイクロ衝撃波発生の物理を解明し、成果を種々の医療装置開発に結びつけることに成功している。カテーテル内でのレーザー光照射で気泡と衝撃波を発生し、カテーテル先端から直径0.1mm、速度20m/s程度の水ジェットを制御して噴出させ、これを空気中で用いて生体軟組織の切開装置を試作し、また、これを血管内で用いて低侵襲的な脳血栓血行再建術装置を試作している。これら装置での基礎実験、動物実験を終了させて現在臨床実験を開始しようとしている。また、衝撃波と細胞の相互作用を組織学的にまた生化学的に解明するための、医学と工学の連携研究が進行中である。パルスレーザー光を金属膜に作用させ発生するレーザーアブレージョンでの金属膜の高速変形を用いて微粒子を高速で打ち出す過程を詳細に解明して独創性の高いドラッグデリベリー法を開発している。この原理は微粒子分布と貫通深さを制御した物理的遺伝子導入法の開発に拡張され、現在、実用研究が進行中である。 iii)地球物理、火山学への応用地球物理学者との連携で研究を推進し、地球進化史に巨大隕石衝突が重要な役割を果たし、そのとき固体および水中衝撃波が激変の素過程となっていることを、アナログ実験と数値模擬により様々の角度から実証している。また、火山の爆発的な噴火では短時間のエネルギー解放が重要な素過程となり、同様に衝撃波の関与が重要となっていることを実証している。特に、マグマの微粒化の動力学的機序をアナログ実験で解明した。 iv)産業応用爆発騒音、自動車排気騒音およびトンネルソニックブームの機序を解明し、防止あるいは低減法を提案している。また、レーザー光を用いる新しい海底岩盤掘削法開発の基礎を確立した。 v)学会活動5年間の拠点形成過程を通じて日本衝撃波研究会事務局を、また、Shock Wave International Journalの編集長と編集事務を担当し、さらに、拠点活動の一環として平成13年アジア太平洋衝撃波研究会を発足させ、これを平成17年3月国際衝撃波学会(International Shock Wave Institute)の設置に発展させている。

  16. 極限的液体潤滑の分子熱工学的研究 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 基盤研究(C)

    2003 -

  17. 流体のエネルギー・運動量輸送特性を支配する分子間伝搬機構の解明 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 基盤研究(C)

    2001 -

  18. コーティング及び潤滑の液膜流れ Competitive

    2001 -

  19. Liquid Film Flow in Coating and Lubrication Competitive

    2001 -

  20. リアルタイム分子膜厚分布計測装置の開発

    圓山 重直, 岡田 繁信, 小原 拓

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業

    Category: 基盤研究(B)

    Institution: 東北大学

    1998 - 1999

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    本研究は位相シフト技術を駆使し、リアルタイムで分子膜厚の計測を行えるシステムを確立するもので、平成10年から平成11年度の研究期間で以下に示す研究成果を得ることができた。 (1)既存のマッハツェンダー干渉計に位相シフト技術を導入し、本研究の予備実験として各種物質の濃度拡散場を観察した。得られたディジタル画像から解像度の検証を行い、同時に物質拡散係数の推定を行った。その結果、現在のシステムではアナログデータをディジタルデータに変換し、さらに圧縮処理を施しているので、分子膜を観察するには更なる解像度の向上が必要であることが確認できた。また、高精度な画像を取得するためには、ノイズの影響も無視できないことが分かった。 (2)上記知見より、波面分割精度を高精度化するため、高精度の偏光光学素子を使用して位相シフト画像を得るようにした。また、データ処理過程におけるA/D変換をなくすため、アナログ用のCCDセンサーに代わってディジタル用を使用し、初めてディジタル位相シフトカメラを開発した。 (3)また高解像度の画像データを記録するために、新たな記録装置を開発した。この装置は電子ノイズの影響を考慮して10ビットの精度でデータを記録し、1秒間に60フレームの割合で画像データを得る。この画像記録装置とディジタル位相シフトカメラを組み合わせることで、高精度なリアルタイム画像を非圧縮処理で取り込むことができた。 (4)位相シフト技術とエリプソメータの原理を応用して、位相シフトエリプソメータの原理を導き、観察セルを開発した。ペルチェ素子を用いてセル内のアルミ蒸着板を高精度温度制御することにより、水の分子膜生成に成功し、観察することができた。 以上をまとめると、平成10年から平成11年度の研究期間中に、成果報告書に記載した内容を得るとともに、本研究の目的をほぼ達成した。

  21. バイオ分子分離用マイクロチップ Competitive

    1999 -

  22. Microchip for separation of biomolecules Competitive

    1999 -

  23. 流体中の分子スケールエネルギー伝搬過程 Competitive

    System: 補助金

    1998 -

  24. Molecular Process of Energy Transfer in Fluids Competitive

    System: Grants and Funding

    1998 -

  25. 流体の動的構造に関する分子熱工学的研究 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 奨励研究(A)

    1997 -

  26. Study on Heat-Transfer Control Utilizing the Rapid-Transient Heat-Transfer Characteristics of Trans-Critical Fluids

    AIHARA Toshio, IMNAMI Yukio, UKAKU Motoyuki, OHARA Taku

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: Tohoku University

    1994 - 1996

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    The aim of the present research project is to establish an theory of the active heat-transfer control using peculiar heat-transfer characteristics of near-critical fluids. The outline of the results obtained in this research project is given below. Heat-transfer experiment has been carried out using a step-heated horizontal platinum wire in sub-and supercritical carbon dioxide. Based on the results, rapid transient heat-tranfer characteristics were analyzed which are useful as a basis of the active heat-transfer control. At supercritical pressure, bubble-like structures were observed in the upper edge of the buoyancy plume which is developing upward. As an application of the above transient heat-transfer characteristics, transient heat transfer from a pulse-heated horizontal wire in supercritical carbon dioxide was investigated experimentally. It was clearly shown that the heated-surface temperature can be controlled by utilizing the transient heat-ternsfer characteristics of the near-critical fluid. The controlling factors are frequency of the pulse heating and fluid properties. This technique can be applied easily as an active heat-transfer control. In order to clarify the basic mechanism of boiling and boiling-like phenomena in the trans-critical fluid, experiments on steady heat tranfer from a fine horizontal wire in sub-and supercritical carbon dioxide have been performed. As pressure increases from subcritical to supercritical pressure, heat transfer charactenistics and convection patterms change gradually. No discontinuous transition was observed at the critical point, thus we conclude that the trans-critical transition from subcritical boilng to suercritical boilng-like phenomena is continuous. The tansion pressure, which has been expected to be at the critical point, seems to be slightly above the critical pressure ; boiling transition from nucleate boiling to film boiling accompanied by the critical heat flux were observed even at he critical pressure. Then, a theory of subcritical boiling transition, which is used to predict the critical heat as a function of interfacical tension, was applied to the present supercritical case and the magnitude of the superctitical interfacial tension was estimated. To clarufy the microscopic mechanism of the interfacial tension that remains even at supercritical pressures, molecular dynamics simulation was performed for a system of simple fluid with a temperature gradient. The interface-like phenomenon was reproduced even at supercritical pressures. Based on the resulted density profile, the supercritical interfacial tension was estimated by a statistical mechanical technique. The predicted Value was compared with the estimation by the above experiments, and fair agreement was observed. These findings brigns a entirely new insight which explains cleary the boiling-like phenomena observed at a slightly supercritical pressure.

  27. Control of Heat Transfer and Defrostings with Fluidized Beds

    AIHARA Toshio, INNAMI Yukio, OHARA Taku, YAMADA Masahiko, FUKUSAKO Shoichiro, SCHAFLINGER Uwe, SCHNEIDER Wilhelm

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for international Scientific Research

    Institution: TOHOKU UNIVERSITY

    1994 - 1995

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    In the cases where conventional finned-tube heat exchangers are used as evaporators in heat pump systems and LNG-gasification systems, moisture in humid air freezes and forms a thick frost layr on the fin surfaces, which reduces the heat transfer, increases the pressure loss, and finally results in choking of the evaporatores. Thus development of frost-free evaporators is an important and urgent research subject. The present research project has been performed to study heat and mass transfer characteristics of impinging jet-type fluidized bed and its defrosting characteristics. The obtained results are useful to establish a fluidized-bed heat exchanger which is effective for defrosting. Results of the Joint Research In Tohoku University, the following experimental studies were performed : (1) Study on local heat transfer and frosting characteristics of cold tubes in single-phase impinging jets. (2) Study on defrosting mechanism of a very shallow fluidized bed, measurement of particle's contact frequency onto the tube surface, and observation of the behavior of particles on the tube surface. (3) Study on heat transfer characteristics of cold tubes under defrosting by particle impingement. In Hokkaido University the following experimental studies were performed : (1) Study on heat transfer charactersistics of impinging-jet type fluidized ged. Especially the effect of fluidizing particles on heat transfer in a powder-mixed fluidized bed. (2) Study on freezing and continuous production characteristics of liquid ice by use of the fluidized bed. (3) Study on frosting characteristics of a vertical cooled plate and a horizontal cooled tube array immersed in a fluidized bed. (4) Study on melting heat transfer characteristics of a horizontal cooled tube array immersed in liquid ice. In Technical University, Vienna, theoretical study on formation process of particle-gas jets and their impingement onto tube surface was performed especially for the cornice-type distributor, utilized in Tohoku University. By joining these results of the above-mentioned studies, an potimum design method for impinging-jet type fluidized bed has been established. Also the heat-transfer and defrosting characteristics and the control theory for them were clarified, which is useful for practical applicatios.

  28. 流体の相変化と遷臨界現象の分子動力学的研究 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 一般研究(C)

    1995 -

  29. 遷臨界域流体のクラスタ構造に関する分子動力学的研究 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 奨励研究(A)

    1994 -

  30. Thermal-Engineering Stucy on Early Detection of Quench and Hyper Stabilization Method of Superconducting Coil

    AIHARA Toshio, OHARA Taku, TANI Junji, TAKAHASHI Hideaki

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for General Scientific Research (B)

    Institution: Tohoku University

    1991 - 1993

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    The aim of this research project is to clarify thermal mechanism of quench in forced-and immersion-cooled superconducting coils, and to establish theory of thermal stability of superconducting coil, and to propose methods for early detection of the quench. The outline of the results obtained in this 3-year research project is given below. 1. Numerical analyzes of quench mechanism and thermal stability of forced-and immersion-cooled superconducting coils were carried out. Various influences of governing factors on them were clarified quantitatively and the basic concept of early prediction of quench was established. 2. Since the quench phenomenon is extremely rapid transient and indeterminate, and it occurs in a very strong magnetic field, it is almost impossible to predict the time and place of its occurrence. hence we propose two novel detecting methods : one is a film thermal sensor, and another is a visualization technique. Practical applicability of the film thermal sensor was examined in an experiment on rapid transient boiling heat transfer of a pulse-heated strip in liquid helium. The data obtained in the experiment are also necessary for the precise analysis of the thermal stability. The test piece was a 20-mum-thick stainless steel strip, both surface of which were coated with PVF film and a carbon-paste film. This strip structure was to simulate an insulated superconductor in practical use and the carbon-paste film performed the part of an electric resistance thermometer. The heat-transfer data were reduced from the experimental raw values by numerical calculation considering the heat capacity and transient temperature distribution of the coating layrs : the obtained results had satisfactory accuracy to apply the film sensor to the early detection of quench initiation. As for a visualization technique of quench and its rapid propagation was investigated using a pancake-type superconducting coil immesed in liquid helium. It was found that the visualization technique will be a promising tool of the early detectin of quench ; however, we need further research to make applicatin of this charming technique to practical superconducting coils.

  31. 遷臨界域の流体の微視的構造に関する分子動力学的研究 Competitive

    小原 拓

    Offer Organization: 科学研究費補助金

    System: 奨励研究(A)

    1993 -

  32. 超臨界圧流体中の微細構造体からの非定常熱伝達と伝熱制御に関する研究

    相原 利雄, 小原 拓

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業

    Category: 重点領域研究

    Institution: 東北大学

    1992 - 1992

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    平成3年度に製作した超臨界非定常伝熱実験装置を用い、容積約6x10^<-4>m^3の円筒形超臨界圧チャンバ中に水平に設置されたφ100μmの白金加熱細線にコンピューター制御されたさまざまなステップ高さの熱入力を加え、亜臨界非定常沸騰熱伝達実験及び超臨界非定常自由対流熱伝達実験を行った作動流体にはCO_2(臨界温度304.2K,圧力7.383MPa)を用いた、得られた結果は以下のとおりである。 (1)亜臨界沸騰実験の結果、熱伝導域を離脱後、非定常沸騰曲線は速やかに(10ms程度で)定常沸騰曲線に漸近することが確認された。印加熱入力が大きい場合は、加熱開始直後から膜沸騰状態となるが、約30ms後には比較的低い印加熱入力の場合は、加熱開始直後は核沸騰状態にあり、やがて膜沸騰に遷移する。この場合、加熱初期の核沸騰により細線の温度上昇を大幅に遅延させることができる。過熱度の経時変化は当初の核沸騰域においては緩やかで、膜沸騰への遷移に伴って急激になり、やがて変曲点を生じつつ再び緩やかになり、定常状態に漸近する。 (2)超臨界自由対流熱伝達の場合は、亜臨界における核沸騰から膜沸騰への遷移現象が存在しないことから、過熱度の経時変化曲線に変曲点は存在せず、曲線は定常値に向けて速やかに漸近する。超臨界圧流体の場合、加熱度や熱流速はステップ高さや流体圧力により容易に制御できることから現在これらを応用した伝熱制御法について解析を行っている。 超急速な非定常熱伝達に際しては物質固有の性質が現象を支配する。このような観点から水を例にとって、分子動力学の数値解析により、遷臨界域の流体の微視的構造を解析した。臨界点を中心とした広い範囲の温度、密度に対して数値計算を行い、水分子のダイマー・クラスター形成に関する解析を行った。この結果、ダイマーの個数及び寿命やクラスターのサイズに関して、その温度・密度依存性を明らかにした。

  33. Research and Development of a Heat-Transfer Controlled, Long, Slender Cryoprobe

    AIHARA T., OHARA T., KASAHARA K., FUJIMA K., SUZUKI K.

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Developmental Scientific Research (B)

    Institution: TOHOKU UNIVERSITY

    1990 - 1992

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    A novel flexible, long slender cryoprobe with a vacuum insulation layer of outer-most diameter 2.1mm and length 1m has been developed for cryosurgery by freezing rapidly a target tissue and necrosing it. The tip of the cryoprobe was cooled by a micro-impinging jet of liquid nitrogen(LN_2). This cryoprobe enables us to perform cryosurgical treatment by inserting it into the channel for vivisectional inspection forceps which is installed within a commercial endoscope, in order to remove polyps or malignancies or cancers formed on the gullet and stomach. The boiling heat transfer characteristics of the micro-impinging jet were investigated in detail using three types of probe tips : a hemispherical surface and flat surfaces with and without a needle. The effects of the mass flow rate of LN_2, jet mouth-to tip distance, shape of the probe tip, and surface roughness on boiling heat transfer were examined experimentally. The probe tip with the hemispherical surface finished with a sandpaper of emery No.500 showed the best cooling performance for cryosurgery. The maximum cooling heat flux of 1.5 MWm^<-2> was attained. Furthermore, for the purpose of practical application, the vacuum thermal insulation characteristics of the probe body and the transient cooling performance of the probe tip were investigated in detail. The design and operation guide to practical use are also given in this report.

  34. 超臨界圧流体中の微細構造体からの非定常熱伝達と伝熱制御に関する研究

    相原 利雄, 金 柱均, 小原 拓

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業

    Category: 重点領域研究

    Institution: 東北大学

    1991 - 1991

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    本研究において、超臨界圧伝熱実験装置を新たに考案・設計・製作した。これは作動流体の圧力調整部、伝熱実験を行う高圧テストチャンバ、恒温油槽並びに計測システムの制御系で構成される。この装置を用いた第一段階の実験として、超臨界圧のCO_2中における白金細線からの定常自由対流熱伝達について計測を行ない、以下の結果を得た。 (1)加熱細線温度と作動流体のバルク温度との間に(擬)臨界点が存在するときは、臨界点近傍での比熱、プラントル数等の物性値の著しい変化により、自由対流熱伝達が最大7倍まで促進される。 (2)この自由対流熱伝達の促進は、流体圧力が臨界点に近く、また、細線及び流体の温度差が小さいほど大きい。 また、実験と並行して、臨界点近傍の流体中を充填した2次元セル内の非定常伝熱について数値計算を行い、以下の点を明らかにした。 (3)伝熱面のステップ加熱開始後、各位置での温度は時間経過と共に上昇して行くが,臨界点近傍では定圧比熱が大きくなるため温度上昇が遅れ、温度分布にも明確な屈折点が生じる。 (4)作動流体の温度は、臨界点近傍で長時間一定値を保つが、臨界域から離脱するにつれて急激に減少し、温度勾配が大きくなる。これらの影響により、臨界点近傍では温度と圧力条件の設定により、1.5〜4倍の熱伝達率の向上が得られる。 (5)超臨界点近傍での物性値変化を利用して、作動流体の圧力・温度と臨界点・擬臨界点との関係をコントロ-ルすることにより、熱伝達特性や温度分布特性を能動的に制御できる。 以上のごとく、総合的な自己評価により、本年度の研究目標はほぼ達成されたものと考えられる。

  35. 分子設計による熱媒液体・相変化蓄熱媒体の開発 Competitive

  36. 固液／気液界面熱抵抗の制御 Competitive

  37. ナノスケール液体中の熱・物質輸送 Competitive

  38. ナノ構造体／ナノコンポジットの熱的特性 Competitive

  39. 高機能流体潤滑 Competitive

  40. シリコンウェハのコーティング及び洗浄 Competitive

  41. DNA分離用マイクロチップ Competitive

  42. 極限流体潤滑現象の分子スケール解析 Competitive

  43. Coating and Cleaning of Silicon Wafer Competitive

  44. DNA Separation Microchip Competitive

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Works 8

  1. 細胞選別用マイクロフルイディクスチップの開発

    2010 - 2015

  2. 細胞選別用マイクロフルイディクスチップの開発

    2010 - 2015

  3. 熱媒流体の設計を志向した液体中における分子熱輸送の機序解明

    2014 -

  4. 熱媒流体の設計を志向した液体中における分子熱輸送の機序解明

    2014 -

  5. ウェットプロセスの分子熱流動

    2010 -

  6. ウェットプロセスの分子熱流動

    2010 -

  7. ナノ構造化界面における輸送現象

    2009 -

  8. Transport Phenomana on Nano-Structured Interfaces

    2009 -

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Social Activities 1

  1. 学会活動支援・学術普及

    2016/08 - Present