TOHOKU UNIVERSITY Researchers - Toshihiro Kawakatsu

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Toshihiro Kawakatsu

Section

Graduate School of Science

Job title

Professor

Degree

工学博士（京都大学）

researchmap

https://researchmap.jp/puRkxX35a

J-GLOBAL ID

200901056020960390

Research History 4

2001/05 - Present

Department of Physics, Tohoku University　Professor
1998/03 - 2001/04

Department of Computatiuonal Science and Engineering, Nagoya University　Associate Professor
1994/07 - 1998/02

Department of Physics, Tokyo Metropolitan University　Associate professor
1988/10 - 1994/06

Department of Physics, Kyushu University　Research Associate

Education 2

Kyoto University　Graduate School, Division of Engineering　数理工学専攻

- 1989/03/23
Kyoto University　Faculty of Engineering　数理工学科

- 1983/03/24

Committee Memberships 32

東京大学物性研究所附属計算物質科学研究センター運営委員会委員　他大学共同利用機関委員等

2023/04 - Present
Elsevier Publishing Co. Ltd.　Advanced Theory and Simulations, Editorial Board member

2020/10 - Present
委員長

2015/11 - Present
一般財団法人高度情報科学技術研究機構（RIST）利用研究課題審査委員会レビューアー　他大学共同利用機関委員等

2015/09 - Present
Progress of Theoretical and Experimental Physics 編集委員　雑誌編集委員等

2012/10 - Present
Macromolecular Theory and Simulation, International Advisory Board member　International Advisory Board member

2009/01 - Present
東京大学物性研究所スーパーコンピュータ共同利用課題審査委員会審査委員　他大学共同利用機関委員等

1995/04 - Present
Academic advisory board member for the School of Mathematics and Physics, Universith of Loncoln, UK, Internatrional Advisary Board member　Internatrional Advisary Board member

2015/01 - 2024
新化学発展協会高分子ワークショップ顧問　国内外学会役員等

2004/04 - 2023/06
計算物質科学協議会（CMSF）運営委員　国内外学会役員等

2020/05 - 2022/03
東京大学物性研究所附属計算物質科学研究センター運営委員会委員　他大学共同利用機関委員等

2017/04 - 2019/03
一般財団法人高度情報科学技術研究機構（RIST）産業利用WG 委員　他大学共同利用機関委員等

2016/07 - 2017/03
次世代スパコン戦略プログラム分野２戦略機関FS 運営委員会委員　他大学共同利用機関委員等

2010/02 - 2016/03
日本原子力研究所先端基礎研究センター研究嘱託　他大学共同利用機関委員等

2003/04 - 2015/03
東京大学物性研究所計算物質科学研究センター運営委員会委員　他大学共同利用機関委員等

2011/04 - 2014/03
東京大学物性研究所附属物質設計評価施設スーパーコンピュータ共同利用委員会運営委員　他大学共同利用機関委員等

2008/04 - 2014/03
東京大学物性研究所附属物質設計評価施設運営委員会委員　他大学共同利用機関委員等

2008/04 - 2014/03
東京大学物性研究所共同利用施設専門委員会委員委員　他大学共同利用機関委員等

2011/04 - 2013/03
Progress of Theoretical Physics, Editor　Editor

2008/10 - 2012/09
日本宇宙フォーラム、宇宙利用に関する公募地上研究物理学・化学系分野最終評価パネル, パネル委員　他大学共同利用機関委員等

2004/04 - 2009/03
分子シミュレーション科学会, 幹事　国内外学会役員等

2005/11 - 2007/11
日本中性子科学会学会賞選考委員会, 委員　国内外学会役員等

2005/09 - 2006/03
東北大学流体科学研究所複雑系流動研究部門, 研究協力者　学内委員

2004/04 - 2006/03
東京大学物性研究所附属中性子科学研究施設中性子散乱実験審査委員会, 審査委員　他大学共同利用機関委員等

2003/04 - 2006/03
日本学術振興会科学研究費補助金第１段審査委員　政府省庁審議員等

2003/04 - 2005/03
東京大学物性研究所スーパーコンピュータ共同利用運営委員会委員　他大学共同利用機関委員等

2002/04 - 2004/03
日本物理学会領域１２代表者　国内外学会役員等

2002/10 - 2003/09
通産省大学連携「高機能材料設計プラットフォームの研究開発」総合調査研究委員会委員　政府省庁審議員等

1998/04 - 2002/03
通商産業省科学技術庁先導研究「計算材料設計」企画委員　政府省庁審議員等

1996/04 - 1998/03
新化学発展協会「高分子ワークショップ」顧問　民間団体役員等

1995/04 - 1998/03
日本物理学会誌新著紹介小委員会委員　国内外学会役員等

1996/04 - 1997/03
日本物理学会「高分子・液晶」分科世話人　国内外学会役員等

1995/04 - 1996/03

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Professional Memberships 6

分子シミュレーション研究会
The Japanese Society for Neutron Science
日本化学会
British Society of Rheology
American Physical Society
日本物理学会

︎Show all ︎Show first 5

Research Interests 3

Statistical Physics
Self-Consistent Field Theory
Polymer Physics

Research Areas 1

Natural sciences / Mathematical physics and basic theory / polymer physics

Awards 1

IEEE / RSJ IROS 2004 Best Paper Award

2005/08/04　IEEE / RSJ

Papers 221

Dynamics of an Ellipsoidal Active Particle Wrapping by a Giant Unilamellar Vesicle

Kittiwat Tangmongkollert, Manit Klawtanong, Toshihiro Kawakatsu, Petch Khunpetch

The Journal of Physical Chemistry B　2025/07/17

DOI： 10.1021/acs.jpcb.5c01911 　
GPU Accelerated Hybrid Particle-Field Molecular Dynamics: Multi-Node/Multi-GPU Implementation and Large-Scale Benchmarks of the OCCAM Code. International-journal

Rosario Esposito, Giuseppe Mensitieri, You-Liang Zhou, Zhong-Yuan Lu, Ying Zhao, Toshihiro Kawakatsu, Giuseppe Milano

Journal of computational chemistry　46　(13)　e70126　2025/05/15

DOI： 10.1002/jcc.70126 　

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A parallelization strategy for hybrid particle-field molecular dynamics (hPF-MD) simulations on multi-node multi-GPU architectures is proposed. Two design principles have been followed to achieve a massively parallel version of the OCCAM code for distributed GPU computing: performing all the computations only on GPUs, minimizing data exchange between CPU and GPUs, and among GPUs. The hPF-MD scheme is particularly suitable to develop a GPU-resident and low data exchange code. Comparison of performances obtained using the previous multi-CPU code with the proposed multi-node multi-GPU version are reported. Several non-trivial issues to enable applications for systems of considerable sizes, including large input files handling and memory occupation, have been addressed. Large-scale benchmarks of hPF-MD simulations for system sizes up to 10 billion particles are presented. Performances obtained using a moderate quantity of computational resources highlight the feasibility of hPF-MD simulations in systematic studies of large-scale multibillion particle systems. This opens the possibility to perform systematic/routine studies and to reveal new molecular insights for problems on scales previously inaccessible to molecular simulations.
Single-Chain Slip-Spring Simulation for Entangled Nonconcatenated Ring Polymer Melts International-journal Peer-reviewed

Tomiyoshi, Y., Murashima, T., Kawakatsu, T.

Macromolecules　58　(4)　1804-1816　2025/02/03
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.macromol.4c02237 　

ISSN： 0024-9297 1520-5835
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination Peer-reviewed

Takashi Honda, Yoshinori Tomiyoshi, Toshihiro Kawakatsu

Computer Physics Communications　305　109330-109330　2024/12
Publisher: Elsevier BV
DOI： 10.1016/j.cpc.2024.109330 　

ISSN： 0010-4655
Density Functional Theory for Cyclic Block Copolymer Melts

Yoshinori Tomiyoshi, Takashi Honda, Toshihiro Kawakatsu, Takahiro Murashima, Erica Uehara, Tetsuo Deguchi

Macromolecules　57　(22)　10704-10716　2024/11/05
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.macromol.4c02003 　

ISSN： 0024-9297

eISSN： 1520-5835
Translocation of a daughter vesicle in a model system of self-reproducing vesicles Peer-reviewed

Manit Klawtanong, Yuka Sakuma, Masayuki Imai, Toshihiro Kawakatsu, Petch Khunpetch

Physics of Fluids　36　(2)　2024/02/01
Publisher: AIP Publishing
DOI： 10.1063/5.0186977 　

ISSN： 1070-6631

eISSN： 1089-7666

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Translocation of a daughter vesicle from a mother vesicle through a pore is experimentally studied by many groups using a model system of self-reproducing vesicles. However, the theoretical formulation of the problem is not fully understood. In the present study, we present a theoretical formulation of the process based on our previous work [P. Khunpetch et al., Phys. Fluids 33, 077103 (2021)]. In our previous work, we considered the daughter vesicle as a rigid body. In the present work, however, we allow the daughter vesicle to deform during the expulsion process. We thus derive the free energy constituting of the elastic moduli of both the mother and daughter vesicles, and of pressure-driven contribution. The minimum energy path of the translocation is searched by using the string method. With use of experimentally reasonable values of the elastic moduli, our improved model successfully reproduced the progress of the birthing process where there is no free energy barrier between the initial and the final states. The equations of motion of the daughter vesicle have been derived within the framework of the Onsager principle. We found that the translocation time of the daughter vesicle can be reduced when the pressure inside the mother vesicle increases, or the initial size of the daughter vesicle decreases.
Effects of grafted polymers on the lipid membrane fluidity Peer-reviewed

Yuka Sakuma, Nana Kayamori, Julia Tanaka, Kenya Haga, Masayuki Imai, Toshihiro Kawakatsu

Biophysical Journal　123　(4)　489-501　2024/02
Publisher: Elsevier BV
DOI： 10.1016/j.bpj.2024.01.014 　

ISSN： 0006-3495
Single-Chain Slip-Spring Simulation for Entangled Ring/Linear Polymer Blends at Low Ring Fractions Peer-reviewed

Yoshinori Tomiyoshi, Takahiro Murashima, Toshihiro Kawakatsu

Macromolecules　56　(23)　9896-9904　2023/12/12

DOI： 10.1021/acs.macromol.3c01454 　

ISSN： 0024-9297

eISSN： 1520-5835
Reaction-induced morphological transitions in a blend of diblock copolymers and reactive monomers: dissipative particle dynamics simulation Peer-reviewed

Yoshinori Tomiyoshi, Yutaka Oya, Toshihiro Kawakatsu, Tomonaga Okabe

Soft Matter　20　(1)　124-132　2023/12/06

DOI： 10.1039/d3sm00959a 　

ISSN： 1744-683X

eISSN： 1744-6848
Synthesising a minimal cell with artificial metabolic pathways Peer-reviewed

Minoru Kurisu, Ryosuke Katayama, Yuka Sakuma, Toshihiro Kawakatsu, Peter Walde, Masayuki Imai

Communications Chemistry　6　(1)　2023/03/28
Publisher: Springer Science and Business Media LLC
DOI： 10.1038/s42004-023-00856-y 　

eISSN： 2399-3669

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Abstract A “synthetic minimal cell” is considered here as a cell-like artificial vesicle reproduction system in which a chemical and physico-chemical transformation network is regulated by information polymers. Here we synthesise such a minimal cell consisting of three units: energy production, information polymer synthesis, and vesicle reproduction. Supplied ingredients are converted to energy currencies which trigger the synthesis of an information polymer, where the vesicle membrane plays the role of a template. The information polymer promotes membrane growth. By tuning the membrane composition and permeability to osmolytes, the growing vesicles show recursive reproduction over several generations. Our “synthetic minimal cell” greatly simplifies the scheme of contemporary living cells while keeping their essence. The chemical pathways and the vesicle reproduction pathways are well described by kinetic equations and by applying the membrane elasticity model, respectively. This study provides new insights to better understand the differences and similarities between non-living forms of matter and life.
Hybrid Particle-Field Molecular Dynamics: A Primer Peer-reviewed

Giuseppe Milano, G. J.Agur Sevink, Zhong Yuan Lu, Ying Zhao, Antonio De Nicola, Gianmarco Munaò, Toshihiro Kawakatsu

Comprehensive Computational Chemistry, First Edition: Volume 1-4　3　V3-636　2023/01/01

DOI： 10.1016/B978-0-12-821978-2.00109-4 　
Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations Peer-reviewed

Katsumi Hagita, Takahiro Murashima, Masao Ogino, Manabu Omiya, Kenji Ono, Tetsuo Deguchi, Hiroshi Jinnai, Toshihiro Kawakatsu

Scientific Data　9　(1)　2022/12
Publisher: Springer Science and Business Media LLC
DOI： 10.1038/s41597-022-01138-3 　

eISSN： 2052-4463

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<title>Abstract</title>To effectively archive configuration data during molecular dynamics (MD) simulations of polymer systems, we present an efficient compression method with good numerical accuracy that preserves the topology of ring-linear polymer blends. To compress the fraction of floating-point data, we used the Jointed Hierarchical Precision Compression Number - Data Format (JHPCN-DF) method to apply zero padding for the tailing fraction bits, which did not affect the numerical accuracy, then compressed the data with Huffman coding. We also provided a dataset of well-equilibrated configurations of MD simulations for ring-linear polymer blends with various lengths of linear and ring polymers, including ring complexes composed of multiple rings such as polycatenane. We executed 10⁹ MD steps to obtain 150 equilibrated configurations. The combination of JHPCN-DF and SZ compression achieved the best compression ratio for all cases. Therefore, the proposed method enables efficient archiving of MD trajectories. Moreover, the publicly available dataset of ring-linear polymer blends can be employed for studies of mathematical methods, including topology analysis and data compression, as well as MD simulations.
Topological Transition in Multicyclic Chains with Structural Symmetry Inducing Stress-Overshoot Phenomena in Multicyclic/Linear Blends under Biaxial Elongational Flow International-journal Peer-reviewed

Murashima, T., Kawakatsu, T., Hagita, K.

Macromolecules　55　(21)　9358-9372　2022/10/28

DOI： 10.1021/acs.macromol.2c01579 　

ISSN： 0024-9297 1520-5835
Lamellar Domain Spacing of Symmetric Linear, Ring, and Four-Arm-Star Block Copolymer Blends Peer-reviewed

Katsumi Hagita, Takahiro Murashima, Toshihiro Kawakatsu

Macromolecules　55　(18)　8021-8031　2022/09/27
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.macromol.2c00500 　

ISSN： 0024-9297

eISSN： 1520-5835
Role of chain crossing prohibition on chain penetration in ring-linear blends through dissipative particle dynamics simulations Peer-reviewed

Katsumi Hagita, Takahiro Murashima, Hayato Shiba, Nobuyuki Iwaoka, Toshihiro Kawakatsu

Computational Materials Science　203　111104-111104　2022/02
Publisher: Elsevier BV
DOI： 10.1016/j.commatsci.2021.111104 　

ISSN： 0927-0256
Density Functional Theory for Polymer Phase Separations Induced by Coupling of Chemical Reaction and Elastic Stress Invited Peer-reviewed

Yutaka Oya, Gota Kikugawa, Tomonaga Okabe, Toshihiro Kawakatsu

Advanced Theory and Simulations　5　(1)　2100385-2100385　2022/01
Publisher: Wiley
DOI： 10.1002/adts.202100385 　

ISSN： 2513-0390

eISSN： 2513-0390
Modeling of chemically active particles at an air–liquid interface Peer-reviewed

Shun Imamura, Toshihiro Kawakatsu

European Physical Journal E　44　(10)　2021/10

DOI： 10.1140/epje/s10189-021-00132-8 　

ISSN： 1292-8941

eISSN： 1292-895X
Coarse-grained molecular dynamics simulation to reproduce phase-separated structures in graft-type polymer electrolyte membranes Peer-reviewed

Shun Okushima, Shin Hasegawa, Toshihiro Kawakatsu, Yasunari Maekawa

Polymer　230　2021/09/16

DOI： 10.1016/j.polymer.2021.124036 　

ISSN： 0032-3861
Lagrangian multiscale simulation of complex flows Peer-reviewed

Yohei Morii, Toshihiro Kawakatsu

Physics of Fluids　33　(9)　2021/09/01

DOI： 10.1063/5.0063059 　

ISSN： 1070-6631

eISSN： 1089-7666
Viscosity Overshoot in Biaxial Elongational Flow: Coarse-Grained Molecular Dynamics Simulation of Ring-Linear Polymer Mixtures Peer-reviewed

Murashima, T., Kawakatsu, T., Hagita, K.

Macromolecules　54　(15)　7210-7225　2021/08/10
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.macromol.1c00267 　

ISSN： 0024-9297 1520-5835

eISSN： 1520-5835
Birthing of a daughter vesicle in a model system for self-reproduction vesicles Peer-reviewed

Petch Khunpetch, Yuka Sakuma, Masayuki Imai, Toshihiro Kawakatsu

Physics of Fluids　33　(7)　077103-077103　2021/07
Publisher: AIP Publishing
DOI： 10.1063/5.0052248 　

ISSN： 1070-6631

eISSN： 1089-7666
Rheological Properties of Lamellae-Forming Diblock Copolymers Peer-reviewed

Tomiyoshi, Y., Kawakatsu, T., Aoyagi, T., Morita, H.

Advanced Theory and Simulations　4　(7)　2100097-2100097　2021/07
Publisher: Wiley
DOI： 10.1002/adts.202100097 　

ISSN： 2513-0390

eISSN： 2513-0390
Theoretical and Computational Study of the Sphere-to-Rod Transition of Triton X-100 Micellar Nanoscale Aggregates in Aqueous Solution: Implications for Membrane Protein Purification and Membrane Solubilization Peer-reviewed

Murakami, W., De Nicola, A., Oya, Y., Takimoto, J.-I., Celino, M., Kawakatsu, T., Milano, G.

ACS Applied Nano Materials　4　(5)　4552-4561　2021/05/28
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acsanm.1c00171 　

ISSN： 2574-0970

eISSN： 2574-0970
Molecular-shape- A nd size-independent power-law dependence of percolation thresholds on radius of gyration in ideal molecular systems Peer-reviewed

Norizoe, Y., Kawakatsu, T., Morita, H.

Epl　133　(3)　36003-36003　2021/02/01
Publisher: IOP Publishing
DOI： 10.1209/0295-5075/133/36003 　

ISSN： 0295-5075 1286-4854

eISSN： 1286-4854
Hybrid particle-field molecular dynamics under constant pressure Peer-reviewed

Bore, S.L., Kolli, H.B., Cascella, M., De Nicola, A., Milano, G., Byshkin, M., Kawakatsu, T.

Journal of Chemical Physics　152　(18)　184908-184908　2020/05/14
Publisher: AIP Publishing
DOI： 10.1063/5.0007445 　

ISSN： 0021-9606 1089-7690

eISSN： 1089-7690
Viscosity Landscape of Phase-Separated Lipid Membrane Estimated from Fluid Velocity Field Peer-reviewed

Sakuma, Y., Kawakatsu, T., Imai, M., Taniguchi, T.

Biophysical Journal　118　(7)　2020/04

DOI： 10.1016/j.bpj.2020.01.009 　

ISSN： 0006-3495 1542-0086
Nucleation theory of polymer crystallization with conformation entropy Peer-reviewed

Yokota, H., Kawakatsu, T.

Polymer　186　121975-121975　2020/01
Publisher: Elsevier BV
DOI： 10.1016/j.polymer.2019.121975 　

ISSN： 0032-3861
Influence of Polymer Bidispersity on the Effective Particle-Particle Interactions in Polymer Nanocomposites Peer-reviewed

Muna{\`o}, G., Milano, G., De Nicola, A., M{\"u}ller-Plathe, F., Kalogirou, A., Kawakatsu, T.

Macromolecules　52　(22)　8826-8839　2019/11/26
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.macromol.9b01367 　

ISSN： 0024-9297 1520-5835

eISSN： 1520-5835
Mesoscale Electrostatics Driving Particle Dynamics in Nonhomogeneous Dielectrics Peer-reviewed

Bore, S.L?, Kolli, H.B., Cascella, M., Kawakatsu, T., Milano, G.

Journal of Chemical Theory and Computation　15　(3)　2033-2041　2019/03

DOI： 10.1021/acs.jctc.8b01201 　

ISSN： 1549-9618 1549-9626
Phase separation dynamics of a binary fluid with a closed-loop phase diagram Peer-reviewed

Toda, M., Kajimoto, S., Toyouchi, S., Fukumura, H., Kawakatsu, T., Akama, Y., Kotani, M.

Journal of the Physical Society of Japan　88　(2)　024007　2019/03

DOI： 10.7566/JPSJ.88.024007 　

ISSN： 0031-9015 1347-4073
Time-Resolved Structured Illumination Microscopy for Phase Separation Dynamics of Water and 2-Butoxyethanol Mixtures: Interpretation of "early Stage" Involving Micelle-Like Structures Peer-reviewed

Toyouchi, S., Kajimoto, S., Toda, M., Fukumura, H., Kawakatsu, T., Akama, Y., Kotani, M.

Journal of Physical Chemistry B　122　(51)　12375-12385　2018/12

DOI： 10.1021/acs.jpcb.8b10244 　

ISSN： 1520-6106 1520-5207
Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites Peer-reviewed

Muna{\`o}, G., Pizzirusso, A., Milano, G., Kalogirou, A., M{\"u}ller-Plathe, F., De Nicola, A., Kawakatsu, T.

Nanoscale　10　(46)　21656-21670　2018/12

DOI： 10.1039/c8nr05135f 　

ISSN： 2040-3364 2040-3372
Elongational viscosity of weakly entangled polymer melt via coarse-grained molecular dynamics simulation Peer-reviewed

Murashima, T., Kawakatsu, T., Hagita, K.

Nihon Reoroji Gakkaishi　46　(5)　207-220　2018/12

DOI： 10.1678/rheology.46.207 　

ISSN： 0387-1533
Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment Peer-reviewed

Kolli, H.B., Bore, S.L?, Cascella, M., De Nicola, A., Milano, G., Sch{\"a}fer, K., Diezemann, G., Gauss, J., Kawakatsu, T., Lu, Z.-Y., Zhu, Y.-L.

Journal of Chemical Theory and Computation　14　(9)　4928-4937　2018/07

DOI： 10.1021/acs.jctc.8b00466 　

ISSN： 1549-9618 1549-9626
Translocation of a vesicle through a narrow hole across a membrane Peer-reviewed

Petch Khunpetch, Xingkun Man, Toshihiro Kawakatsu, Masao Doi

Journal of Chemical Physics　148　(13)　134901-1-134901-7　2018/04/07
Publisher: American Institute of Physics Inc.
DOI： 10.1063/1.5013677 　

ISSN： 0021-9606
Onsager's variational principle for the dynamics of a vesicle in a Poiseuille flow Peer-reviewed

Yutaka Oya, Toshihiro Kawakatsu

Journal of Chemical Physics　148　(11)　114905-1-114905-8　2018/03/21
Publisher: American Institute of Physics Inc.
DOI： 10.1063/1.4999049 　

ISSN： 0021-9606
Coarse-Grained Molecular Simulation Model for Gecko Feet Keratin Peer-reviewed

Kenkoh S. Endoh, Toshihiro Kawakatsu, Florian Müller-Plathe

Journal of Physical Chemistry B　122　(8)　2203-2212　2018/03/01
Publisher: American Chemical Society
DOI： 10.1021/acs.jpcb.7b10481 　

ISSN： 1520-5207 1520-6106
pH sensing by lipids in membranes: The fundamentals of pH-driven migration, polarization and deformations of lipid bilayer assemblies Peer-reviewed

Miglena I. Angelova, Anne-Florence Bitbol, Michel Seigneuret, Galya Staneva, Atsuji Kodama, Yuka Sakuma, Toshihiro Kawakatsu, Masayuki Imai, Nicolas Puff

Biochimica et Biophysica Acta - Biomembranes　1860　(10)　2042-2063　2018
Publisher: Elsevier B.V.
DOI： 10.1016/j.bbamem.2018.02.026 　

ISSN： 1879-2642 0005-2736
Mathematical Analysis for Non-reciprocal-interaction-based Model of Collective Behavior Peer-reviewed

Takeshi Kano, Koichi Osuka, Toshihiro Kawakatsu, Akio Ishiguro

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　86　(12)　124004-1-124004-9　2017/12

DOI： 10.7566/JPSJ.86.124004 　

ISSN： 0031-9015
Orientation-shape coupling between liquid crystal and membrane through the anchoring effect Peer-reviewed

Shun Okushima, Toshihiro Kawakatsu

PHYSICAL REVIEW E　96　(5)　052704-1-052704-10　2017/11

DOI： 10.1103/PhysRevE.96.052704 　

ISSN： 2470-0045

eISSN： 2470-0053
Thinning Approximation for Two-Dimensional Scattering Patterns from Coarse-Grained Polymer Melts under Shear Flow Peer-reviewed

Katsumi Hagita, Takahiro Murashima, Hiroshi Takano, Toshihiro Kawakatsu

J. Phys. Soc. Jpn.　86　(12)　124803-1-124803-9　2017/11
Publisher: The Physical Society of Japan
DOI： 10.7566/JPSJ.86.124803 　

ISSN： 0031-9015
Biomembrane solubilization mechanism by Triton X-100: a computational study of the three stage model Peer-reviewed

Antonio Pizzirusso, Antonio De Nicola, G. J. Agur Sevink, Andrea Correa, Michele Cascella, Toshihiro Kawakatsu, Mattia Rocco, Ying Zhao, Massimo Celino, Giuseppe Milano

PHYSICAL CHEMISTRY CHEMICAL PHYSICS　19　(44)　29780-29794　2017/11

DOI： 10.1039/c7cp03871b 　

ISSN： 1463-9076

eISSN： 1463-9084
Migration of Phospholipid Vesicles Can Be Selectively Driven by Concentration Gradients of Metal Chloride Solutions Peer-reviewed

Atsuji Kodama, Yuka Sakuma, Masayuki Imai, Toshihiro Kawakatsu, Nicolas Puff, Miglena I. Angelova

LANGMUIR　33　(40)　10698-10706　2017/10

DOI： 10.1021/acs.langmuir.7b02617 　

ISSN： 0743-7463
Modeling induction period of polymer crystallization Peer-reviewed

Hiroshi Yokota, Toshihiro Kawakatsu

POLYMER　129　189-200　2017/10

DOI： 10.1016/j.polymer.2017.09.022 　

ISSN： 0032-3861

eISSN： 1873-2291
A minimal model of collective behaviour based on non-reciprocal interactions Peer-reviewed

Takeshi Kano, Koichi Osuka, Toshihiro Kawakatsu, Naoki Matsui, Akio Ishiguro

Proceedings of the 14th European Conference on Artificial Life　237-244　2017/04
Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics Peer-reviewed

G. J. A. Sevink, F. Schmid, T. Kawakatsu, G. Milano

SOFT MATTER　13　(8)　1594-1623　2017/02

DOI： 10.1039/c6sm02252a 　

ISSN： 1744-683X

eISSN： 1744-6848
Introduction to the special issue "Visualizing polymers through computers"

Kawakatsu, T.

Kobunshi　66　(10)　546-546　2017

ISSN： 0454-1138
Phase behavior of a binary fluid mixture of quadrupolar molecules Peer-reviewed

Masatoshi Toda, Shinji Kajimoto, Shuichi Toyouchi, Toshihiro Kawakatsu, Yohji Akama, Motoko Kotani, Hiroshi Fukumura

PHYSICAL REVIEW E　94　(5)　052601-1-052601-16　2016/11

DOI： 10.1103/PhysRevE.94.052601 　

ISSN： 2470-0045

eISSN： 2470-0053
Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example Peer-reviewed

Antonio De Nicola, Toshihiro Kawakatsu, Florian Mueller-Plathe, Giuseppe Milano

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS　225　(8-9)　1817-1841　2016/10

DOI： 10.1140/epjst/e2016-60127-0 　

ISSN： 1951-6355

eISSN： 1951-6401
22aPS-89 The correlation between the liquid crystal orientation and the membrane normal vector in the vicinity of the membrane

Okushima S., Kawakatsu T.

Meeting Abstracts of the Physical Society of Japan　71　3299-3299　2016
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.71.1.0_3299 　

ISSN： 2189-079X
22aPS-74 Self-consistent field theory of blend of linear polymer and ring polymer

Goto T., Kawakatsu T.

Meeting Abstracts of the Physical Society of Japan　71　3286-3286　2016
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.71.1.0_3286 　

ISSN： 2189-079X
Dynamic Self-Consistent Field Theory for Entangled Blockcopolymer Melts

Morii Yohei, Kawakatsu Toshihiro

Meeting Abstracts of the Physical Society of Japan　71　3110-3110　2016
Publisher: The Physical Society of Japan
DOI： 10.11316/jpsgaiyo.71.2.0_3110 　
Structure and Phase transition of inter-surface polymers

Satoh Haruki, Kawakatsu Toshihiro

Meeting Abstracts of the Physical Society of Japan　71　3101-3101　2016
Publisher: The Physical Society of Japan
DOI： 10.11316/jpsgaiyo.71.2.0_3101 　
Modeling of the induction period of the polymer crystallization

Yokota Hiroshi, Kawakatsu Toshihiro

Meeting Abstracts of the Physical Society of Japan　71　3100-3100　2016
Publisher: The Physical Society of Japan
DOI： 10.11316/jpsgaiyo.71.2.0_3100 　
A fluid dynamics model for self-oscillating gels

Takahata Shoichi, Kawakatsu Toshihiro

Meeting Abstracts of the Physical Society of Japan　71　3089-3089　2016
Publisher: The Physical Society of Japan
DOI： 10.11316/jpsgaiyo.71.2.0_3089 　
Analysis by SCF theory of effect of threading in blend of ring polymer and linear polymer

Goto Takaaki, Kawakatsu Toshihiro

Meeting Abstracts of the Physical Society of Japan　71　3010-3010　2016
Publisher: The Physical Society of Japan
DOI： 10.11316/jpsgaiyo.71.2.0_3010 　
非対称相互作用から生み出されるコト〜5素子系の理論解析〜

加納剛史, 大須賀公一, 川勝年洋, 石黒章夫

第28回自律分散システムシンポジウム予稿集　141-146　2016/01
Migration of phospholipid vesicles in response to OH- stimuli Peer-reviewed

Atsuji Kodama, Yuka Sakuma, Masayuki Imai, Yutaka Oya, Toshihiro Kawakatsu, Nicolas Puff, Miglena I. Angelova

SOFT MATTER　12　(11)　2877-2886　2016

DOI： 10.1039/c5sm02220g 　

ISSN： 1744-683X

eISSN： 1744-6848
Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics Peer-reviewed

Ying Zhao, Maksym Byshkin, Yue Cong, Toshihiro Kawakatsu, Liberata Guadagno, Antonio De Nicola, Naisen Yu, Giuseppe Milano, Bin Dong

NANOSCALE　8　(34)　15538-15552　2016

DOI： 10.1039/c6nr03304k 　

ISSN： 2040-3364

eISSN： 2040-3372
Self-Assembly of Triton X-100 in Water Solutions: A Multiscale Simulation Study Linking Mesoscale to Atomistic Models Peer-reviewed

Antonio De Nicola, Toshihiro Kawakatsu, Camillo Rosano, Massimo Celino, Mattia Rocco, Giuseppe Milano

JOURNAL OF CHEMICAL THEORY AND COMPUTATION　11　(10)　4959-4971　2015/10

DOI： 10.1021/acs.jctc.5b00485 　

ISSN： 1549-9618

eISSN： 1549-9626
Various Spatiotemporal Order Generated from Asymmetric Interactions

加納剛史, 大須賀公一, 川勝年洋, 石黒章夫

日本物理学会第70回年次大会予稿集（DVD版）　70　3073-3073　2015/03
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.70.1.0_3073 　

ISSN： 2189-079X
17pPSB-27 Density dependence of relaxation phenomena in polymer solution

Aso S., Murashima T., Kawakatsu T.

Meeting Abstracts of the Physical Society of Japan　70.2　2951　2015
Publisher: The Physical Society of Japan
DOI： 10.11316/jpsgaiyo.70.2.0_2951 　

eISSN： 2189-0803
17pPSB-36 Interfacial tension change with liquid crystal ordering

Okushima S., Kawakatsu T.

Meeting Abstracts of the Physical Society of Japan　70　2960-2960　2015
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.70.2.0_2960 　

ISSN： 2189-079X
18pCT-6 Migration of phospholipid vesicles in response to chemical stimuli

Kodama A., Sakuma Y., Imai M., Oya Y., Kawakatsu T., Puff Nicolas, Angelova Miglena I.

Meeting Abstracts of the Physical Society of Japan　70　2995-2995　2015
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.70.2.0_2995 　

ISSN： 2189-079X
22pPSA-17 Coupled diffusion and large deformation of a non-uniform gel

Takahata Shoichi, Kawakatsu Toshihiro

Meeting Abstracts of the Physical Society of Japan　70　3319-3319　2015
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.70.1.0_3319 　

ISSN： 2189-079X
24pAQ-3 Phase separation dynamics of a binary mixture with a closed-loop phase diagram Peer-reviewed

M. Toda, S. Kajimoto, S. Toyouchi, T. Kawakatsu, Y. Akama, M. Kotani, H. Fukumura

Meeting Abstracts of the Physical Society of Japan　70.1　(0)　3438-3438　2015
Publisher: The Physical Society of Japan (JPS)
DOI： 10.11316/jpsgaiyo.70.1.0_3438 　

ISSN： 2189-079X
`Koto' Generated from Asymmetric Interactions

加納剛史, 大須賀公一, 川勝年洋, 石黒章夫

第27回自律分散システム・シンポジウム予稿集　125-130　2015/01
Minimal Model of Self-organization Induced by Asymmetric Interactions

加納剛史, 大須賀公一, 川勝年洋, 石黒章夫

第20回交通流のシミュレーションシンポジウム予稿集　11-14　2014/12
Generation of Well-Relaxed All-Atom Models of Large Molecular Weight Polymer Melts: A Hybrid Particle-Continuum Approach Based on Particle-Field Molecular Dynamics Simulations Peer-reviewed

Antonio De Nicola, Toshihiro Kawakatsu, Giuseppe Milano

JOURNAL OF CHEMICAL THEORY AND COMPUTATION　10　(12)　5651-5667　2014/12

DOI： 10.1021/ct500492h 　

ISSN： 1549-9618

eISSN： 1549-9626
Mesoscopic Dynamics of Laser-induced Phase Separation in Water and 2-Butoxyethanol Mixtures Revealed by Nanosecond Time-resolved Light Scattering Peer-reviewed

Shuichi Toyouchi, Shinji Kajimoto, Masatoshi Toda, Toshihiro Kawakatsu, Yohji Akama, Motoko Kotani, Hiroshi Fukumura

CHEMISTRY LETTERS　43　(12)　1838-1840　2014/12

DOI： 10.1246/cl.140698 　

ISSN： 0366-7022

eISSN： 1348-0715
Self-organization of Motile Oscillators Inspired by Friendship Formation Peer-reviewed

Takeshi Kano, Koichi Osuka, Toshihiro Kawakatsu, Akio Ishiguro

NOLTA2014 Abstract Collection　341-344　2014/09
Soft confinement for polymer solutions Peer-reviewed

Yutaka Oya, Toshihiro Kawakatsu

EPL　107　(2)　28003-1-28003-5　2014/07

DOI： 10.1209/0295-5075/107/28003 　

ISSN： 0295-5075

eISSN： 1286-4854
Vortex Dynamics in a Smectic Liquid Crystal and Its Stochastic Aspect Peer-reviewed

Shinobu Sekine, Toshihiro Kawakatsu, Hiroshi Kuratsuji

MOLECULAR CRYSTALS AND LIQUID CRYSTALS　596　(1)　60-68　2014/06

DOI： 10.1080/15421406.2014.918305 　

ISSN： 1542-1406

eISSN： 1563-5287
Molecular Monte Carlo Simulation Method of Systems Connected to Three Reservoirs Peer-reviewed

Yuki Norizoe, Toshihiro Kawakatsu

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　83　(5)　054003-1-054003-13.　2014/05

DOI： 10.7566/JPSJ.83.054003 　

ISSN： 0031-9015
A Simple Model for Self-organization of Heterogeneous Elements Inspired by Friendship Formation Peer-reviewed

Takeshi Kano, Koichi Osuka, Toshihiro Kawakatsu, Akio Ishiguro

Proc. of the 3rd International Workshop on Spatiotemporal Pattern Formation in Biological and Active Matters　10　2014/03
交友関係の形成過程に着想を得た自己組織化の数理モデル

加納剛史, 大須賀公一, 川勝年洋, 石黒章夫

第57回数理社会学会大会予稿集　76　2014/03
Spontaneous insertion of carbon nanotube bundles inside biomembranes: A hybrid particle-field coarse-grained molecular dynamics study Peer-reviewed

Edita Sarukhanyan, Antonio De Nicola, Danilo Roccatano, Toshihiro Kawakatsu, Giuseppe Milano

CHEMICAL PHYSICS LETTERS　595　156-166　2014/03

DOI： 10.1016/j.cplett.2014.01.057 　

ISSN： 0009-2614

eISSN： 1873-4448
Micellar drug nanocarriers and biomembranes: how do they interact? Peer-reviewed

Antonio De Nicola, Samira Hezaveh, Ying Zhao, Toshihiro Kawakatsu, Danilo Roccatano, Giuseppe Milano

PHYSICAL CHEMISTRY CHEMICAL PHYSICS　16　(11)　5093-5105　2014

DOI： 10.1039/c3cp54242d 　

ISSN： 1463-9076

eISSN： 1463-9084
Tubular Membrane Formation of Binary Giant Unilamellar Vesicles Composed of Cylinder and Inverse-Cone-Shaped Lipids Peer-reviewed

Yuka Sakuma, Takashi Taniguchi, Toshihiro Kawakatsu, Masayuki Imai

BIOPHYSICAL JOURNAL　105　(9)　2074-2081　2013/11

DOI： 10.1016/j.bpj.2013.09.021 　

ISSN： 0006-3495

eISSN： 1542-0086
A hybrid particle-field coarse-grained molecular model for pluronics water mixtures Peer-reviewed

Antonio De Nicola, Toshihiro Kawakatsu, Giuseppe Milano

Macromolecular Chemistry and Physics　214　(17)　1940-1950　2013/09/12

DOI： 10.1002/macp.201300214 　

ISSN： 1022-1352 1521-3935
A hybrid particle-field molecular dynamics approach: a route toward efficient coarse-grained models for biomembranes Peer-reviewed

Giuseppe Milano, Toshihiro Kawakatsu, Antonio De Nicola

PHYSICAL BIOLOGY　10　(4)　045007-1-045007-16　2013/08

DOI： 10.1088/1478-3975/10/4/045007 　

ISSN： 1478-3967
Simple crack propagation model of pressure-sensitive adhesives Peer-reviewed

Shinobu Sekine, Toshihiro Kawakatsu

ADVANCES IN NATURAL SCIENCES-NANOSCIENCE AND NANOTECHNOLOGY　4　(2)　025016-1-025016-5　2013/06

DOI： 10.1088/2043-6262/4/2/025016 　

ISSN： 2043-6254

eISSN： 2043-6262
A density functional theory of chiral block copolymer melts Peer-reviewed

Shih-Hao Wang, Toshihiro Kawakatsu, Peilong Chen, Chun-Yi David Lu

JOURNAL OF CHEMICAL PHYSICS　138　(19)　194901-1-194901-9　2013/05

DOI： 10.1063/1.4802963 　

ISSN： 0021-9606

eISSN： 1089-7690
Field theoretical approach for a polymer-containing vesicle Peer-reviewed

Yutaka Oya, Toshihiro Kawakatsu

Advances in Natural Sciences: Nanoscience and Nanotechnology　4　(1)　2013/03

DOI： 10.1088/2043-6262/4/1/015010 　

ISSN： 2043-6262
Field theoretical approach for a polymer-containing vesicle Peer-reviewed

Yutaka Oya, Toshihiro Kawakatsu

ADVANCES IN NATURAL SCIENCES-NANOSCIENCE AND NANOTECHNOLOGY　4　(1)　015010-1-015010-4　2013/03

DOI： 10.1088/2043-6262/4/1/015010 　

ISSN： 2043-6254

eISSN： 2043-6262
Kinetic pathways of sphere-to-cylinder transition in diblock copolymer melt under electric field Peer-reviewed

D. Q. Ly, M. Pinna, T. Honda, T. Kawakatsu, A. V. M. Zvelindovsky

JOURNAL OF CHEMICAL PHYSICS　138　(7)　074904-1-074904-9　2013/02

DOI： 10.1063/1.4791639 　

ISSN： 0021-9606
Slow Dynamics of Surfactant Micelles in Fluid and Crystal Phases Peer-reviewed

M. Imai, M. Kurimoto, F. Matsuura, Y. Sakuma, T. Kawakatsu

4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: KEEP GOING TOHOKU　1518　758-765　2013

DOI： 10.1063/1.4794675 　

ISSN： 0094-243X
Effect of molecular geometry on LCST-type phase separation Peer-reviewed

M. Toda, S. Kajimoto, T. Kawakatsu, Y. Akama, M. Kotani, H. Fukumura

Meeting Abstracts of the Physical Society of Japan　68.2.2　321-321　2013

DOI： 10.11316/jpsgaiyo.68.2.2.0_321_3 　
Multiscale Fluid Dynamics Simulation Applied to Micellar Solution Peer-reviewed

Takahiro Murashima, Masatoshi Toda, Toshihiro Kawakatsu

NIC Series (Proceedings of the HYBRID2013 workshop of the John von　46　187-192　2013
Field Theoretical Approach for Bio-membrane Coupled with Flow Field Peer-reviewed

Y. Oya, T. Kawakatsu

4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: KEEP GOING TOHOKU　1518　452-454　2013

DOI： 10.1063/1.4794614 　

ISSN： 0094-243X
Multiscale Simulation for Soft Matter: Application to Wormlike Micellar Solution Peer-reviewed

Takahiro Murashima, Masatoshi Toda, Toshihiro Kawakatsu

4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: KEEP GOING TOHOKU　1518　(1)　436-439　2013

DOI： 10.1063/1.4794610 　

ISSN： 0094-243X
Structure and Rheology of Wormlike Micellar Systems Peer-reviewed

Masatoshi Toda, Toshihiro Kawakatsu

4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: KEEP GOING TOHOKU　1518　(1)　419-423　2013

DOI： 10.1063/1.4794606 　

ISSN： 0094-243X
Generating situation-dependent behavior: Decentralized control of multi-functional intestine-like robot that can transport and mix contents Peer-reviewed

Takeshi Kano, Toshihiro Kawakatsu, Akio Ishiguro

Journal of Robotics and Mechatronics　25　(5)　871-876　2013
Publisher: Fuji Technology Press
DOI： 10.20965/jrm.2013.p0871 　

ISSN： 1883-8049 0915-3942
Particle Monte Carlo simulation of string-like colloidal assembly in two and three dimensions Peer-reviewed

Yuki Norizoe, Toshihiro Kawakatsu

JOURNAL OF CHEMICAL PHYSICS　137　(2)　024904-1-024904-16　2012/07

DOI： 10.1063/1.4733462 　

ISSN： 0021-9606

eISSN： 1089-7690
Validation of a hybrid MD-SCF coarse-grained model for DPPC in non-lamellar phases Peer-reviewed

Antonio De Nicola, Ying Zhao, Toshihiro Kawakatsu, Danilo Roccatano, Giuseppe Milano

THEORETICAL CHEMISTRY ACCOUNTS　131　(3)　1167-1-1167-16　2012/03

DOI： 10.1007/s00214-012-1167-1 　

ISSN： 1432-881X

eISSN： 1432-2234
Hybrid particle-field molecular dynamics simulations: Parallelization and benchmarks Peer-reviewed

Ying Zhao, Antonio De Nicola, Toshihiro Kawakatsu, Giuseppe Milano

JOURNAL OF COMPUTATIONAL CHEMISTRY　33　(8)　868-880　2012/03

DOI： 10.1002/jcc.22883 　

ISSN： 0192-8651

eISSN： 1096-987X
Diffusion of surfactant micelles in fluid and crystal phases Peer-reviewed

M. Imai, M. Kurimoto, F. Matsuura, Y. Sakuma, T. Kawakatsu

SOFT MATTER　8　(38)　9892-9905　2012

DOI： 10.1039/c2sm07122c 　

ISSN： 1744-683X

eISSN： 1744-6848
Hybrid Particle-Field Coarse-Grained Models for Biological Phospholipids Peer-reviewed

Antonio De Nicola, Ying Zhao, Toshihiro Kawakatsu, Danilo Roccatano, Giuseppe Milano

JOURNAL OF CHEMICAL THEORY AND COMPUTATION　7　(9)　2947-2962　2011/09

DOI： 10.1021/ct200132n 　

ISSN： 1549-9618

eISSN： 1549-9626
International Symposium on Non-Equilibrium Soft Matter 2010 PREFACE

T. Kawakatsu, A. Matsuyama, T. Ohta, H. Tanaka, S. Tanaka

JOURNAL OF PHYSICS-CONDENSED MATTER　23　(28)　280301-1-280301-1　2011/07

DOI： 10.1088/0953-8984/23/28/280301 　

ISSN： 0953-8984
Deformation of the equilibrium shape of a vesicle induced by enclosed flexible polymers Peer-reviewed

Y. Oya, K. Sato, T. Kawakatsu

EPL　94　(6)　68004-1-68004-5　2011/06

DOI： 10.1209/0295-5075/94/68004 　

ISSN： 0295-5075
粒子・連続場ハイブリッド法を用いた紐状ミセル溶液のダイナミクス

戸田昌利, 川勝年洋

物性研究　96　(1)　77-78　2011/04/05
Publisher:
ISSN： 0525-2997
Decentralized Control Algorithm Underlying Adaptive Small-intestinal Movements

塚辺有哉, 加納剛史, 川勝年洋, 石黒章夫

第22回自律分散システム・シンポジウムProceedings　221-226　2011/01
Pressure calculation in hybrid particle-field simulations Peer-reviewed

Giuseppe Milano, Toshihiro Kawakatsu

JOURNAL OF CHEMICAL PHYSICS　133　(21)　214102-1-214102-13　2010/12

DOI： 10.1063/1.3506776 　

ISSN： 0021-9606
Mathematical Model of Decentralized Control Mechanism of Intestinal Peristaltic Movement

塚辺有哉, 加納剛史, 川勝年洋, 石黒章夫

第20回日本数理生物学会予稿集　125P-8　2010/09
Why does shear banding behave like first-order phase transitions? Derivation of a potential from a mechanical constitutive model Peer-reviewed

K. Sato, X. -F. Yuan, T. Kawakatsu

EUROPEAN PHYSICAL JOURNAL E　31　(2)　135-144　2010/02

DOI： 10.1140/epje/i2010-10557-7 　

ISSN： 1292-8941

eISSN： 1292-895X
Dynamic self-consistent field theories for polymer blends and block copolymers

Kawakatsu, T.

Understanding Soft Condensed Matter Via Modeling and Computation　2010

DOI： 10.1142/9789814295598_0005 　
自己無撞着場理論を用いた高分子多相系の動的制御 Invited

川勝年洋

ソフトマテリアルの応用展開　2010
Diffusion of domains on nanometer sized vesicle Peer-reviewed

Y. Sakuma, N. Urakami, Y. Ogata, M. Nagao, S. Komura, T. Kawakatsu, M. Imai

INTERNATIONAL CONFERENCE ON NEUTRON SCATTERING 2009　251　012036-1-012036-4　2010

DOI： 10.1088/1742-6596/251/1/012036 　

ISSN： 1742-6588
Hybrid particle-field molecular dynamics simulations for dense polymer systems Peer-reviewed

Giuseppe Milano, Toshihiro Kawakatsu

JOURNAL OF CHEMICAL PHYSICS　130　(21)　214106-1-214106-8　2009/06

DOI： 10.1063/1.3142103 　

ISSN： 0021-9606
Electric field-induced transitions in perforated lamella of ABA triblock copolymer thin film Peer-reviewed

Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

SOFT MATTER　5　(23)　4814-4822　2009

DOI： 10.1039/b911521h 　

ISSN： 1744-683X
Transition in Domain Morphology of Block Copolymers Undergoing Polymerization Peer-reviewed

You Iida, Toshihiro Kawakatsu, Ryuhei Motokawa, Satoshi Koizumi, Takeji Hashimoto

MACROMOLECULES　41　(24)　9722-9726　2008/12

DOI： 10.1021/ma8020322 　

ISSN： 0024-9297
Hydrodynamic effects on the disorder-to-order transitions of diblock copolymer melts Peer-reviewed

Takashi Honda, Toshihiro Kawakatsu

JOURNAL OF CHEMICAL PHYSICS　129　(11)　114904-1-114904-8　2008/09

DOI： 10.1063/1.2977742 　

ISSN： 0021-9606

eISSN： 1089-7690
Three-dimensional visualization of a single block copolymer in lamellar nanodomains Peer-reviewed

Hiroshi Morita, Toshihiro Kawakatsu, Masao Doi, Toshio Nishi, Hiroshi Jinnai

MACROMOLECULES　41　(13)　4845-4849　2008/07

DOI： 10.1021/ma8003828 　

ISSN： 0024-9297
Hexagonally perforated lamella-to-cylinder transition in a diblock copolymer thin film under an electric field Peer-reviewed

Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

MACROMOLECULES　41　(12)　4501-4505　2008/06

DOI： 10.1021/ma0708850 　

ISSN： 0024-9297

eISSN： 1520-5835
Efficient Learning by Exploiting Long-distant Physical Interaction between Body Segments - An Experimental Verification with a 2D Serpentine Robot -

Wataru Watanabe, Takahide Sato, Toshihiro Kawakatsu, Akio Ishiguro

第3回移動知シンポジウム　2008/03/05
An Efficient Learning by Exploiting Long-distant Physical Correlation between Body Segments - A Case Study with a 2D Serpentine Robot -

渡邉航, 佐藤貴英, 川勝年洋, 石黒章夫

第20回自律分散システム・シンポジウム　85-90　2008/01/24
Dynamics of Nano-Meter-Sized Domains on a Vesicle Peer-reviewed

Y. Sakuma, N. Urakami, Y. Ogata, M. Nagao, S. Komura, T. Kawakatsu, M. Imai

AIP conference proceeding　982　717-720　2008

DOI： 10.1063/1.2897885 　
Rapid and Cheap Learning by Exploiting Biarticular Muscles - A Case Study With a Two-Dimensional Serpentine Robot Peer-reviewed

Wataru Watanabe, Toshihiro Kawakatsu, Akio Ishiguro

ADVANCED ROBOTICS　22　(15)　1683-1696　2008

DOI： 10.1163/156855308X368976 　

ISSN： 0169-1864

eISSN： 1568-5535
Kinetic pathway of gyroid-to-cylinder transition in diblock copolymer melt under an electric field Peer-reviewed

Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

MACROMOLECULES　40　(8)　2928-2935　2007/04

DOI： 10.1021/ma061875m 　

ISSN： 0024-9297
Hybrid dynamic density functional theory for polymer melts and blends Peer-reviewed

Takashi Honda, Toshihiro Kawakatsu

MACROMOLECULES　40　(4)　1227-1237　2007/02

DOI： 10.1021/ma0620464 　

ISSN： 0024-9297
Emergent morphology control of a modular robot by exploiting the interaction between control and mechanical dynamics Peer-reviewed

Masahiro Shimizu, Masayasu Takahashi, Toshihiro Kawakatsu, Akio Ishiguro

DISTRIBUTED AUTONOMOUS ROBOTIC SYSTEMS 6　6　23-+　2007
単純な運動機能を持つ結合振動子系から創発する知能

石黒章夫, 清水正宏, 川勝年洋

物性研究　87　(4)　572-578　2007/01
Publisher:
ISSN： 0525-2997
Emergent morphology control of a modular robot by exploiting the interaction between control and mechanical dynamics Peer-reviewed

Masahiro Shimizu, Masayasu Takahashi, Toshihiro Kawakatsu, Akio Ishiguro

DISTRIBUTED AUTONOMOUS ROBOTIC SYSTEMS 6　23-+　2007
----------- Peer-reviewed

Masahiro Shimizu, Takafumi Mori, Toshihiro Kawakatsu, Akio Ishiguro

PROCEEDINGS OF SICE-ICASE INTERNATIONAL JOINT CONFERENCE　4509-4514　2006/10/18

DOI： 10.1109/SICE.2006.315038 　
Computer simulation of reaction-induced self-assembly of cellulose via enzymatic polymerization Peer-reviewed

Toshihiro Kawakatsu, Hirokazu Tanaka, Satoshi Koizumi, Takeji Hashimoto

JOURNAL OF PHYSICS-CONDENSED MATTER　18　(36)　S2499-S2512　2006/09

DOI： 10.1088/0953-8984/18/36/S20 　

ISSN： 0953-8984
A modular robot that exhibits amoebic locomotion Peer-reviewed

Akio Ishiguro, Masahiro Shimizu, Toshihiro Kawakatsu

ROBOTICS AND AUTONOMOUS SYSTEMS　54　(8)　641-650　2006/08

DOI： 10.1016/j.robot.2006.02.011 　

ISSN： 0921-8890

eISSN： 1872-793X
Interaction Dynamics between Control and Mechanical Systems in Mobiligence - A Case Study with a Modular Robot -

清水正宏, 川勝年洋, 石黒章夫

ロボティクス・メカトロニクス講演会2006　2006　1A1-D05-D05(1)"-"1A1-D05(4)"　2006/05/26
Publisher: The Japan Society of Mechanical Engineers

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Recently, it has been widely recognized that control and mechanical systems cannot be designed separately due to their tight interdependency. However, there still leaves much to be understood about how the relationship between control and mechanical systems should be. Therefore, as an initial step toward understanding "well-balanced coupling" between control and mechanical systems, this study describes a technique able to analyze the spatiotemporal structure of the dynamics stemming from the interplay among control/mechanical systems and the environment by taking a modular robot as a practical example. Owing to the fact that our modular robot "Slimebot" intrinsically has large degrees of freedom, we have successfully observed an interesting spatiotemporal structure in the interaction dynamics by employing the Navier-Stokes equation.
Coarse-Grained Models and Simulations on Dense Polymer Systems Based on Mean Field Approximation Invited

Toshihiro Kawakatsu

アンサンブル　8　(2)　3-5　2006/04/30

DOI： 10.11436/mssj1998.8.34_3 　
Epitaxial transition from gyroid to cylinder in a diblock copolymer melt Peer-reviewed

T Honda, T Kawakatsu

MACROMOLECULES　39　(6)　2340-2349　2006/03

DOI： 10.1021/ma052075z 　

ISSN： 0024-9297
Towards a "well-balanced" design: How should control and body systems be coupled? Peer-reviewed

A Ishiguro, K Ishimaru, T Kawakatsu

ADAPTIVE MOTION OF ANIMALS AND MACHINES　107-+　2006
Monte Carlo simulation of string-like colloidal assembly Peer-reviewed

Y Norizoe, T Kawakatsu

EUROPHYSICS LETTERS　72　(4)　583-589　2005/11

DOI： 10.1209/epl/i2005-10288-6 　

ISSN： 0295-5075
Polymer-confinement-induced nematic transition of microemulsion droplets Peer-reviewed

K Nakaya, M Imai, S Komura, T Kawakatsu, N Urakami

EUROPHYSICS LETTERS　71　(3)　494-500　2005/08

DOI： 10.1209/epl/i2005-10093-3 　

ISSN： 0295-5075
高分子界面とドメイン構造の粗視化モデルを用いたアプローチ Invited Peer-reviewed

Toshihiro Kawakatsu

Oleo Science　5　(4)　167-173　2005/04

DOI： 10.5650/oleoscience.5.167 　
多粒子系の動力学解析手法を応用した群ロボットの自律分散的形態制御 Peer-reviewed

清水正宏, 川勝年洋, 石黒章夫

計測自動制御学会論文集　41　(2)　126-134　2005/02
Publisher: The Society of Instrument and Control Engineers
DOI： 10.9746/sicetr1965.41.126 　

ISSN： 0453-4654

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This paper discusses a fully decentralized algorithm able to create a coherent swarm of autonomous mobile robots from the viewpoint of "computational physics". To this end, we particularly focus on the "Molecular Dynamics method" and the "Stokesian Dynamics method", both of which are widely used to investigate manybody systems. To verify the feasibility of our approach, this idea has been implemented to a swarm of 2-D radio-connected autonomous mobile robots as a practical example. Simulation results indicate that the proposed algorithm can control the shape of the swarm appropriately according to the current situation without losing the coherence of the swarm nor exchanging any global information among the modules. Furthermore, we have found that the local interaction which is used to exploit Stokesian Dynamics plays an essential role in order to maintain the coherence of the swarm particularly under an unstructured environment.
制御系と機械系の有機的カップリングを活用したモジュラーロボットの創発的形態制御 Peer-reviewed

清水正宏, 高橋正康, 川勝年洋, 石黒章夫

日本ロボット学会誌　23　(6)　718-724　2005
Publisher: The Robotics Society of Japan
DOI： 10.7210/jrsj.23.718 　

ISSN： 0289-1824

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This paper discusses a fully decentralized algorithm able to control the morphology of a modular robot, consisting of many identical modules, according to the environment encountered. One of the significant features of our approach is that we explicitly exploit an"emergent phenomenon" stemming from the interplay between control and mechanical systems in order to control the morphology in real time. To this end, we particularly focus on a"functional material"and a"mutual entrainment"among the nonlinear oscillators, the former of which is used as a connection mechanism between the modules, and the latter of which plays as the core of the control mechanism for the generation of locomotion. Preliminary simulation results indicate that the proposed algorithm can induce"protoplasmic streaming, "which allows us to successfully control the morphology of modular robot in real time according to the situation without losing the coherence of the entire system.
Slimebot: A Modular Robot That Exploits Emergent Phenomena Peer-reviewed

Masahiro Shimizu, Akio Ishiguro, Toshihiro Kawakatsu

PROCEEDINGS OF IEEE INTERNATIONAL CONFERENCE ON ROBOTICS AND AUTOMATION　2005　2993-2998　2005
Publisher: Institute of Electrical and Electronics Engineers
DOI： 10.1109/ROBOT.2005.1570567 　

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査読? 招待論文?
A Modular Robot That Exploits a Spontaneous Connectivity Control Mechanism Peer-reviewed

Masahiro Shimizu, Akio Ishiguro, Toshihiro Kawakatsu

PROCEEDINGS OF IEEE/RSJ INTERNATIONAL CONFERENCE ON INTELLIGENT ROBOTS AND SYSTEMS　2658-2663　2005

DOI： 10.1109/IROS.2005.1545377 　

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査読? 招待論文?
Phase separated structures in a binary blend of diblock copolymers under an extensional force field - Helical domain structure Peer-reviewed

H Morita, T Kawakatsu, M Doi, D Yamaguchi, M Takenaka, T Hashimoto

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　73　(5)　1371-1374　2004/05

DOI： 10.1143/JPSJ.73.1371 　

ISSN： 0031-9015
Dynamic Density Functional Theory and Simulations of Polymer Interfaces Invited Peer-reviewed

川勝年洋

高分子　53　(4)　250-253　2004/04
Publisher: The Society of Polymer Science, Japan
DOI： 10.1295/kobunshi.53.250 　

ISSN： 0454-1138
Dynamical Simulations of Inhomogeneous Structures in Polymer Systems Using Self-Consistent Field Theory Invited

川勝年洋

機能材料　24　(4)　10-15　2004/04
Publisher:
ISSN： 0286-4835
Real-time morphology control of a modular robot by exploiting the interaction between control and mechanical dynamics Peer-reviewed

M Takahashi, M Shimizu, T Kawakatsu, A Ishiguro

SICE 2004 ANNUAL CONFERENCE, VOLS 1-3　906-911　2004
A passive dynamic walking quadruped with independently movable legs Peer-reviewed

Y Yamada, T Kawakatsu, A Ishiguro

SICE 2004 ANNUAL CONFERENCE, VOLS 1-3　901-905　2004
Improvement of learning surface by exploiting the interplay between control and mechanical dynamics Peer-reviewed

T Hasegawa, T Kawakatsu, A Ishiguro

SICE 2004 ANNUAL CONFERENCE, VOLS 1-3　896-900　2004
Don't Try to Control Everything!: An Emergent Morphology Control of a Modular Robot Peer-reviewed

Akio Ishiguro, Masahiro Shimizu, Toshihiro Kawakatsu

PROCEEDINGS OF IEEE/RSJ INTERNATIONAL CONFERENCE ON INTELLIGENT ROBOTS AND SYSTEMS　981-985　2004

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査読? 招待論文?
A Modular Robot That Exploits Emergent Phenomena Peer-reviewed

Akio Ishiguro, Masahiro Shimizu, Toshihiro Kawakatsu

HANDOUT PROCEEDINGS OF TSUKUBA WORKSHOP ON MODULAR ROBOTICS　13-18　2004

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査読? 招待論文?
Slimebot: A Modular Robot That Exploits Emergent Phenomena Peer-reviewed

Akio Ishiguro, Masahiro Shimizu, Toshihiro Kawakatsu

PROCEEDINGS OF 2004 INTERNATIONAL SYMPOSIUM ON NONLINEAR THEORY AND ITS APPLICATIONS　87-90　2004

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査読? 招待論文?
Dynamical self-consistent field theory for inhomogeneous polymer systems Peer-reviewed

T Kawakatsu

SLOW DYNAMICS IN COMPLEX SYSTEMS　708　265-266　2004

ISSN： 0094-243X
How should control and body systems be coupled? A robotic case study Peer-reviewed

A Ishiguro, T Kawakatsu

EMBODIED ARTIFICIAL INTELLIGENCE　3139　107-118　2004

ISSN： 0302-9743
Adaptive Shape Reconfiguration of a Decentralized Motile System Exploiting Molecular Dynamics and Stokesian Dynamics Methods Peer-reviewed

Shimizu, M., Ishiguro, A., Takahashi, M., Masubuchi, Y., Doi, M., Kawakatsu, T.

Journal of Robotics and Mechatronics　16　(3)　271-277　2004

DOI： 10.20965/jrm.2004.p0271 　

ISSN： 0915-3942 1883-8049
Fluctuation modes prior to lamellar-double gyroid transition of a nonionic surfactant/water system Peer-reviewed

M Imai, K Nakaya, T Kawakatsu

SLOW DYNAMICS IN COMPLEX SYSTEMS　708　114-115　2004

ISSN： 0094-243X
Self-consistent-field theory of viscoelastic behavior of inhomogeneous dense polymer systems Peer-reviewed

T Shima, H Kuni, Y Okabe, M Doi, XF Yuan, T Kawakatsu

MACROMOLECULES　36　(24)　9199-9204　2003/12

DOI： 10.1021/ma0205257 　

ISSN： 0024-9297

eISSN： 1520-5835
Dynamical nature of least stable fluctuation modes of lamellar structure observed in a nonionic surfactant/water system Peer-reviewed

M Imai, K Nakaya, T Kawakatsu, H Seto

JOURNAL OF CHEMICAL PHYSICS　119　(15)　8103-8111　2003/10

DOI： 10.1063/1.1606434 　

ISSN： 0021-9606
Modeling shear-induced phase transitions of binary polymer mixtures Peer-reviewed

L Jupp, T Kawakatsu, XF Yuan

JOURNAL OF CHEMICAL PHYSICS　119　(12)　6361-6372　2003/09

DOI： 10.1063/1.1601214 　

ISSN： 0021-9606

eISSN： 1089-7690
Enlarging attractor basin of a passive dynamic walker by exploiting cooperative phenomena Peer-reviewed

K Kawasumi, A Ishiguro, T Kawakatsu

SICE 2003 ANNUAL CONFERENCE, VOLS 1-3　106-111　2003
Adaptive swarming by exploiting hydrodynamic interaction based on Stokesian Dynamics Method Peer-reviewed

M Shimizu, A Ishiguro, T Kawakatsu, Y Masubuchi, M Doi

SICE 2003 ANNUAL CONFERENCE, VOLS 1-3　1546-1551　2003
Toward a “Well-balanced” Desin: A Robotic Case Study - How Should Control and Body Dynamics be Coupled?- Peer-reviewed

Akio Ishiguro, Kazuhisa Ishimaru, Koji Hayakawa, Toshihiro Kawakatsu

PROCEEDINGS OF THE 2ND INTERNATIONAL SYMPOSIUM ON ADAPTIVE MOTION OF ANIMALS AND MACHINES　2003

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査読? 招待論文?
How Should Control and Body Dynamics be Balanced? －An Integrated Design by Exploiting the Interdependency between Control and Body Systems－ Peer-reviewed

Akio Ishiguro, Toshihiro Kawakatsu

ABSTRACT PROCEEDINGS OF DAGSTUHL SEMINAR ON EMBODIED ARTIFICIAL INTELLIGENCE　2003

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査読? 招待論文?
How Should Control and Body Dynamics be Coupled? －A Robotic Case Study － Peer-reviewed

Akio Ishiguro, Kazuhisa Ishimaru, Koji Hayakawa, Toshihiro Kawakatsu

PROCEEDINGS OF IEEE/RSJ INTERNATIONAL CONFERENCE ON INTELLIGENT ROBOTS AND SYSTEMS　1727-1732　2003

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査読? 招待論文?
Coherent Swarming from Local Interaction by Exploiting Molecular Dynamics and Stokesian Dynamics Methods Peer-reviewed

Masahiro Shimizu, Akio Ishiguro, Toshihiro Kawakatsu, Yuichi Masubuchi, Masao Doi

PROCEEDINGS OF IEEE/RSJ INTERNATIONAL CONFERENCE ON INTELLIGENT ROBOTS AND SYSTEMS　1614-1619　2003

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査読? 招待論文?
Relaxation of a tethered polymer using dynamic mean field calculation Peer-reviewed

K Furuichi, C Nonomura, T Kawakatsu, M Doi

JOURNAL OF CHEMICAL PHYSICS　117　(21)　9959-9960　2002/12

DOI： 10.1063/1.1517034 　

ISSN： 0021-9606

eISSN： 1089-7690
Competition between micro- and macrophase separations in a binary mixture of block copolymers. A dynamic density functional study Peer-reviewed

H Morita, T Kawakatsu, M Doi, D Yamaguchi, M Takenaka, T Hashimoto

MACROMOLECULES　35　(19)　7473-7480　2002/09

DOI： 10.1021/ma0203997 　

ISSN： 0024-9297
Self-consistent-field theory for interacting polymeric assemblies. I. Formulation, implementation, and benchmark tests Peer-reviewed

Roan, JR, T Kawakatsu

JOURNAL OF CHEMICAL PHYSICS　116　(16)　7283-7294　2002/04

DOI： 10.1063/1.1463424 　

ISSN： 0021-9606

eISSN： 1089-7690
Self-consistent-field theory for interacting polymeric assemblies. II. Steric stabilization of colloidal particles Peer-reviewed

Roan, JR, T Kawakatsu

JOURNAL OF CHEMICAL PHYSICS　116　(16)　7295-7310　2002/04

DOI： 10.1063/1.1463425 　

ISSN： 0021-9606
Mathematical Physics of Soft Materials Invited

川勝年洋

数理科学　462　(12)　54-60　2001/12
Dynamic density functional study on the structure of thin polymer blend films with a free surface Peer-reviewed

H Morita, T Kawakatsu, M Doi

MACROMOLECULES　34　(25)　8777-8783　2001/12

DOI： 10.1021/ma010346+ 　

ISSN： 0024-9297

eISSN： 1520-5835
Nonequilibrium helical-domain morphology in diblock copolymer systems Peer-reviewed

T Hashimoto, N Mitsumura, D Yamaguchi, M Takenaka, H Morita, T Kawakatsu, M Doi

POLYMER　42　(20)　8477-8481　2001/09

DOI： 10.1016/S0032-3861(01)00344-5 　

ISSN： 0032-3861
Effects of A-B block copolymer additives on interfacial tension of A/B polymer blends near the critical temperature: Comparison of mean-field calculations with experiments Peer-reviewed

T Nose, K Inomata, H Morita, T Kawakatsu, M Doi

MACROMOLECULAR CHEMISTRY AND PHYSICS　202　(9)　1548-1556　2001/07

DOI： 10.1002/1521-3935(20010601)202:9<1548::AID-MACP1548>3.0.CO;2-8 　

ISSN： 1022-1352
Effects of low-molecular-weight additives on interfacial tension of polymer blends: experiments for poly(dimethylsiloxane)/poly(tetramethyldisiloxanylethylene) plus oligo(dimethylsiloxane), and comparison with mean-field calculations Peer-reviewed

Y Sakane, K Inomata, H Morita, T Kawakatsu, M Doi, T Nose

POLYMER　42　(8)　3883-3891　2001/04

DOI： 10.1016/S0032-3861(00)00706-0 　

ISSN： 0032-3861
Model for phase transitions in the solid phases of Langmuir monolayers Peer-reviewed

Roan, JR, T Kawakatsu

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　70　(3)　738-742　2001/03

DOI： 10.1143/JPSJ.70.738 　

ISSN： 0031-9015
Deformation of a tethered polymer in uniform flow Peer-reviewed

R Rzehak, W Kromen, T Kawakatsu, W Zimmermann

EUROPEAN PHYSICAL JOURNAL E　2　(1)　3-30　2000/05

ISSN： 0253-2786
Deformation of a tethered polymer in uniform flow

Rzehak, R., Kromen, W., Zimmermann, W., Kawakatsu, T.

European Physical Journal E　2　(1)　2000

DOI： 10.1007/s101890050036 　

ISSN： 1292-8941
Micelle formation in triblock copolymer solutions Peer-reviewed

M Monzen, T Kawakatsu, M Doi, R Hasegawa

COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE　10　(3-4)　275-280　2000

DOI： 10.1016/S1089-3156(99)00052-5 　

ISSN： 1089-3156
Morphologies of multiphase polymer blend systems Peer-reviewed

S Urashita, T Kawakatsu, M Doi

PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT　138　(138)　412-413　2000

ISSN： 0375-9687
Dynamic density functional approach to phase separation dynamics of polymer systems Peer-reviewed

T Kawakatsu, M Doi, R Hasegawa

INTERNATIONAL JOURNAL OF MODERN PHYSICS C　10　(8)　1531-1540　1999/12

ISSN： 0129-1831
Application of Monte Carlo method to phase separation dynamics of complex systems Peer-reviewed

Y Okabe, T Miyajima, T Ito, T Kawakatsu

INTERNATIONAL JOURNAL OF MODERN PHYSICS C　10　(8)　1513-1520　1999/12

ISSN： 0129-1831
動的平均場法を用いたポリマーブレンド薄膜の内部構造及び表面構造の解析 Invited Peer-reviewed

森田裕史, 川勝年洋, 土井正男

高分子論文集　56　(12)　762-771　1999/12
平均場理論による高分子のメソ領域シミュレーション Invited Peer-reviewed

本田隆, 浦下真治, 森田裕史, 長谷川龍一, 川勝年洋, 土井正男

高分子論文集　56　(10)　674-683　1999/10
Partial draining of a tethered polymer in flow Peer-reviewed

R Rzehak, D Kienle, T Kawakatsu, W Zimmermann

EUROPHYSICS LETTERS　46　(6)　821-826　1999/06

DOI： 10.1209/epl/i1999-00338-1 　

ISSN： 0295-5075
Visualized Polymers. Patterns Formed by Polymeric Systems. I. Dynamic Density Functional Study of Structures of Thin Polymer Blend Films.

MORITA Hiroshi, KAWAKATSU Toshihiro, DOI Masao

Kobunshi Kagaku　56　(10)　674-683　1999
Publisher: The Society of Polymer Science, Japan
DOI： 10.1295/koron.56.674 　

ISSN： 0386-2186

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We perform simulations for thin polymer blend films using the dynamic density functional method. We include the effect of wall-polymer interfacial potentials, and also represent the free interface (polymer-air interface) using void. At the initial stage of our simulations, there already exist three kinds of phase separations, which are wall-induced phase separations, phase separations induced by free surface, and phase separations of bulk. We can find the computational results of layered structures of phase separations near both free and wall interfaces. As the time steps of simulations are evolved, domain width is grown. Density profiles are changed as spinodal waves originating from both free and wall interfaces. Furthermore, at the free interface, we can find the surface roughing induced by domain growth, and the roughness is changed as time evolutions.
Visualized Polymers. Patterns Formed by Polymeric Systems. II. Dynamic Mean Field Theory for Mesoscale Polymer Simulations.

HONDA Takashi, URASHITA Shinji, MORITA Hiroshi, HASEGAWA Ryuichi, KAWAKATSU Toshihiro, DOI Masao

Kobunshi Kagaku　56　(12)　762-771　1999
Publisher: The Society of Polymer Science, Japan
DOI： 10.1295/koron.56.762 　

ISSN： 0386-2186

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The dynamic mean field theory is applied to various problems on polymer dynamics. (1) Domain structures in various phase separating polymer systems such as (a) A, B polymer blends, (b) A, B polymer blends with A-B block copolymers, and (c) A-B block copolymers with comb-structure are calculated. (2) Realistic simulations for a PE/PP/PS polymer blend are performed, where the segment interaction parameters determined by the method of the additive group contributions are used. The core shell structures observed experimentally are reproduced. (3) Polymer films consisting of insoluble polymers on solid wall are simulated. (4) Behavior of polydisperse polymers near a hard wall is studied. (5) Micellization of diblock copolymers and grafted polymers in solvent is simulated using a new method combining the mean field theory and the Rouse dynamics. Finally, further extension of the dynamic mean field calculations is discussed.
マイクロエマルジョンの物理-粗視化モデルを用いてそのダイナミクスを探る- Invited Peer-reviewed

川勝年洋

表面　37　(1)　11-19　1999/01
Publisher:
ISSN： 0367-648X
両親媒性分子の作る膜の弾性理論と動力学-統計力学の立場から- Invited Peer-reviewed

川勝年洋

日本バイオレオロジー学会誌　12　(2)　17　1998/02
Modelling of continuous synthesis process of TiO2 particles using slug flow tubular reactor

Kubo, M., Kawakatsu, T., Yonemoto, T.

Chemical Engineering Research and Design　76　(6 A6)　1998

DOI： 10.1205/026387698525379 　

ISSN： 0263-8762
Effects of changes in the chain conformation on the kinetics of order-disorder transitions in block copolymer melts Peer-reviewed

T Kawakatsu

PHYSICAL REVIEW E　56　(3)　3240-3250　1997/09

DOI： 10.1103/PhysRevE.56.3240 　

ISSN： 1063-651X
Neutron reflection studies on segment distribution of block chains in lamellar microphase-separated structures Peer-reviewed

N Torikai, Noda, I, A Karim, SK Satija, CC Han, Y Matsushita, T Kawakatsu

MACROMOLECULES　30　(10)　2907-2914　1997/05

DOI： 10.1021/ma961089p 　

ISSN： 0024-9297

eISSN： 1520-5835
A small-angle neutron scattering study of the ethyl (n-octyl) phosphate micelles in water Peer-reviewed

H Hirata, S Katayama, H Okabayashi, M Furusaka, T Kawakatsu

COLLOID AND POLYMER SCIENCE　274　(3)　245-252　1996/03

DOI： 10.1007/BF00665641 　

ISSN： 0303-402X
Forced periodic and quasi-periodic patterns in anisotropic systems Peer-reviewed

A Ogawa, W Zimmermann, K Kawasaki, T Kawakatsu

JOURNAL DE PHYSIQUE II　6　(2)　305-328　1996/02

DOI： 10.1051/jp2:1996183 　

ISSN： 1155-4312
Computer simulations of phase separations in surfactant solutions Peer-reviewed

T Kawakatsu

MOLECULAR SIMULATION　16　(1-3)　47-57　1996

ISSN： 0892-7022
Small angle neutron scattering study of the sodium di-n-pentyl phosphate micelles in water Peer-reviewed

H Hirata, H Okabayashi, M Furusaka, T Kawakatsu

COLLOID AND POLYMER SCIENCE　273　(12)　1193-1200　1995/12

DOI： 10.1007/BF00653089 　

ISSN： 0303-402X
PHASE-DIAGRAM AND PHASE-STRUCTURE OF THE SODIUM DI-N-PENTYL PHOSPHATE-WATER SYSTEM - H-1 PULSED-GRADIENT NMR SELF-DIFFUSION, P-31 NMR AND X-RAY-DIFFRACTION STUDIES Peer-reviewed

H HIRATA, S AOKI, K TAGA, H OKABAYASHI, T YOSHIDA, T KAWAKATSU

COLLOID AND POLYMER SCIENCE　273　(11)　1080-1087　1995/11

DOI： 10.1007/BF00657677 　

ISSN： 0303-402X
COMPUTATIONAL STUDY OF EFFECTS OF UNIAXIAL COMPRESSION DURING PROCESSES OF SPINODAL DECOMPOSITION Peer-reviewed

M TAKENAKA, T HASHIMOTO, T KAWAKATSU, K KAWASAKI

PHYSICAL REVIEW E　52　(3)　2247-2261　1995/09

DOI： 10.1103/PhysRevE.52.2247 　

ISSN： 1063-651X
SUPER-SECONDARY STRUCTURE OF OLIGOPEPTIDE AGGREGATES IN AN ORGANIC-SOLVENT Peer-reviewed

H HIRATA, H YUUKI, T OGASAWARA, K TAGA, T YOSHIDA, H OKABAYASHI, M FURUSAKA, K KAWASAKI, T KAWAKATSU, M HIRAI

PHYSICA B　213　588-590　1995/08

DOI： 10.1016/0921-4526(95)00220-4 　

ISSN： 0921-4526
CONFINED SEMIFLEXIBLE POLYMER-CHAINS Peer-reviewed

J HENDRICKS, T KAWAKATSU, K KAWASAKI, W ZIMMERMANN

PHYSICAL REVIEW E　51　(3)　2658-2661　1995/03

DOI： 10.1103/PhysRevE.51.2658 　

ISSN： 1539-3755
PHASE-SEPARATION DYNAMICS IN THE PRESENCE OF SURFACTANT MOLECULES WITH AN ASYMMETRIC SHAPE Peer-reviewed

T KAWAKATSU, K KAWASAKI, M FURUSAKA, H OKABAYASHI, T KANAYA

JOURNAL OF CHEMICAL PHYSICS　102　(5)　2247-2253　1995/02

DOI： 10.1063/1.468745 　

ISSN： 0021-9606
LONG-LIVED GLASSY STATES IN DENSE NEARLY HARD-SPHERE COLLOIDS Peer-reviewed

MORIGUCHI, I, K KAWASAKI, T KAWAKATSU

JOURNAL DE PHYSIQUE II　5　(1)　143-157　1995/01

DOI： 10.1051/jp2:1995119 　

ISSN： 1155-4312
COMPUTER-SIMULATION OF SELF-ASSEMBLING PROCESSES OF A BINARY MIXTURE CONTAINING A BLOCK-COPOLYMER Peer-reviewed

T KAWAKATSU

PHYSICAL REVIEW E　50　(4)　2856-2862　1994/10

DOI： 10.1103/PhysRevE.50.2856 　

ISSN： 1063-651X
PHASE-TRANSITIONS AND SHAPES OF 2-COMPONENT MEMBRANES AND VESICLES .2. WEAK SEGREGATION LIMIT Peer-reviewed

T TANIGUCHI, K KAWASAKI, D ANDELMAN, T KAWAKATSU

JOURNAL DE PHYSIQUE II　4　(8)　1333-1362　1994/08

DOI： 10.1051/jp2:1994203 　

ISSN： 1155-4312
THEORIES AND COMPUTER-SIMULATIONS OF SELF-ASSEMBLING SURFACTANT SOLUTIONS Invited Peer-reviewed

T KAWAKATSU, K KAWASAKI, M FURUSAKA, H OKABAYASHI, T KANAYA

JOURNAL OF PHYSICS-CONDENSED MATTER　6　(32)　6385-6408　1994/08

DOI： 10.1088/0953-8984/6/32/003 　

ISSN： 0953-8984

eISSN： 1361-648X
ソフトマテリアルの物性 II Invited

Toshihiro Kawakatsu, Kyozi Kawasaki

Solid State Physics　29　(2)　111-121　1994/02
Publisher:
ISSN： 0454-4544
A LOCAL DYNAMICAL SCALING BEHAVIOR OF THE OSTWALD RIPENING IN NONUNIFORM SYSTEMS Peer-reviewed

A NAKAHARA, T KAWAKATSU, K KAWASAKI

JOURNAL OF CHEMICAL PHYSICS　99　(12)　9853-9864　1993/12

DOI： 10.1063/1.465469 　

ISSN： 0021-9606
LATE-STAGE DYNAMICS OF PHASE-SEPARATION PROCESSES OF BINARY-MIXTURES CONTAINING SURFACTANTS Peer-reviewed

T KAWAKATSU, K KAWASAKI, M FURUSAKA, H OKABAYASHI, T KANAYA

JOURNAL OF CHEMICAL PHYSICS　99　(10)　8200-8217　1993/11

DOI： 10.1063/1.466213 　

ISSN： 0021-9606

eISSN： 1089-7690
WAVELENGTH COMPETITION IN CONVECTIVE SYSTEMS Peer-reviewed

W ZIMMERMANN, A OGAWA, S KAI, K KAWASAKI, T KAWAKATSU

EUROPHYSICS LETTERS　24　(3)　217-222　1993/10

DOI： 10.1209/0295-5075/24/3/010 　

ISSN： 0295-5075
ソフトマテリアルの物性 I Invited

Kyozi Kawasaki, Toshihiro Kawakatsu

Solid State Physics　28　(9)　569-577　1993/09
Publisher:
ISSN： 0454-4544
THE EFFECTS OF SIZE POLYDISPERSITY IN NEARLY HARD-SPHERE COLLOIDS Peer-reviewed

MORIGUCHI, I, K KAWASAKI, T KAWAKATSU

JOURNAL DE PHYSIQUE II　3　(8)　1179-1184　1993/08

DOI： 10.1051/jp2:1993190 　

ISSN： 1155-4312
PHASE-TRANSITIONS AND SHAPES OF 2-COMPONENT MEMBRANES AND VESICLES .1. STRONG SEGREGATION LIMIT Peer-reviewed

T KAWAKATSU, D ANDELMAN, K KAWASAKI, T TANIGUCHI

JOURNAL DE PHYSIQUE II　3　(7)　971-997　1993/07

DOI： 10.1051/jp2:1993177 　

ISSN： 1155-4312
Equilibrium Shape Deformations of Two-Component Vesicles Peer-reviewed

KAWAKATSU Toshihiro

Condensed Matter and Materials Communications　1　(1)　75-80　1993
PROJECTOR FORMALISM OF GENERALIZED BROWNIAN-MOTION THEORY APPLIED TO DISSIPATIVE AND NOISY SYSTEMS Peer-reviewed

K KAWASAKI, T KAWAKATSU

JOURNAL OF STATISTICAL PHYSICS　67　(3-4)　795-811　1992/05

ISSN： 0022-4715
EQUILIBRIUM SHAPE OF 2-COMPONENT UNILAMELLAR MEMBRANES AND VESICLES Peer-reviewed

D ANDELMAN, T KAWAKATSU, K KAWASAKI

EUROPHYSICS LETTERS　19　(1)　57-62　1992/05

DOI： 10.1209/0295-5075/19/1/010 　

ISSN： 0295-5075
A Monte Carlo study of phase separation processes in immiscible binary mixtures with a surfactant Peer-reviewed

Toshihiro Kawakatsu, Kyozi Kawasaki

Journal of Colloid And Interface Science　148　(1)　23-28　1992

DOI： 10.1016/0021-9797(92)90109-Y 　

ISSN： 0021-9797
DYNAMICS OF ORDERING PROCESSES IN IMMISCIBLE BINARY-MIXTURES WITH A SURFACTANT .1. COMPUTER EXPERIMENTS Peer-reviewed

T KAWAKATSU, K KAWASAKI

JOURNAL OF COLLOID AND INTERFACE SCIENCE　145　(2)　413-419　1991/09

DOI： 10.1016/0021-9797(91)90372-F 　

ISSN： 0021-9797

eISSN： 1095-7103
DYNAMICS OF ORDERING PROCESSES IN IMMISCIBLE BINARY-MIXTURES WITH A SURFACTANT .2. ANALYTICAL TREATMENTS Peer-reviewed

T KAWAKATSU, K KAWASAKI

JOURNAL OF COLLOID AND INTERFACE SCIENCE　145　(2)　420-432　1991/09

DOI： 10.1016/0021-9797(91)90373-G 　

ISSN： 0021-9797

eISSN： 1095-7103
OSTWALD RIPENING IN OPEN SYSTEMS Peer-reviewed

A NAKAHARA, T KAWAKATSU, K KAWASAKI

JOURNAL OF CHEMICAL PHYSICS　95　(6)　4407-4417　1991/09

DOI： 10.1063/1.461764 　

ISSN： 0021-9606
HYBRID MODELS FOR THE DYNAMICS OF AN IMMISCIBLE BINARY MIXTURE WITH SURFACTANT MOLECULES Peer-reviewed

T KAWAKATSU, K KAWASAKI

PHYSICA A　167　(3)　690-735　1990/09

DOI： 10.1016/0378-4371(90)90287-3 　

ISSN： 0378-4371
EQUILIBRIUM MORPHOLOGY OF BLOCK COPOLYMER MELTS .3. Peer-reviewed

K KAWASAKI, T KAWAKATSU

MACROMOLECULES　23　(17)　4006-4019　1990/08

DOI： 10.1021/ma00219a022 　

ISSN： 0024-9297

eISSN： 1520-5835
Continuum theory of an immiscible binary fluid mixture with a surfactant Peer-reviewed

Kyozi Kawasaki, Toshihiro Kawakatsu

Physica A: Statistical Mechanics and its Applications　164　(3)　549-563　1990/04/15

DOI： 10.1016/0378-4371(90)90222-E 　

ISSN： 0378-4371
A Molecular Dynamics Study of an Exothermically Reacting System; The Effects of Finite Lifetime Activated Complex on the Structure of the Detonation Wave Front

Kawakatsu Toshihiro, Ueda Akira

J Phys Soc Jpn　58　(3)　831-837　1989/03/15
Publisher: The Physical Society of Japan (JPS)
DOI： 10.1143/JPSJ.58.831 　

ISSN： 0031-9015

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The detonation wave propagation phenomena in an exothermically reacting hard disk system are studied using the molecular dynamics method. The model reaction is \includegraphics{dummy.eps} type exothermic isomerization reaction, where $A^{*}$ corresponds to an activated complex. The detonation propagation mechanism and the relaxation processes at the wave front are compared with those of the similar reaction system with no activated complex, \includegraphics{dummy.eps}. The existence of the activated complex $A^{*}$ does not change the essentials of the propagation mechanism but changes the structure of the wave front.
A MOLECULAR-DYNAMICS STUDY OF RELAXATION PROCESSES AT A DETONATION-WAVE FRONT Peer-reviewed

T KAWAKATSU, A UEDA

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　57　(9)　2955-2965　1988/09

DOI： 10.1143/JPSJ.57.2955 　

ISSN： 0031-9015
A Molecular Dynamics Study of an Exothermically Reacting System; A Detonation Phenomenon

Kawakatsu Toshihiro, Matsuda Takashi, Ueda Akira

Tokyo Sugaku Kaisya Zasshi　57　(4)　1191-1198　1988
Publisher: THE PHYSICAL SOCIETY OF JAPAN
DOI： 10.1143/JPSJ.57.1191 　

ISSN： 0031-9015

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A one-dimensional propagation of a reaction wave in an exothermically reacting hard disk system is studied using the molecular dynamics method. The structure of the reaction wave has characteristics similar to those of a detonation. Comparison between the results of our computation and those from the hydrodynamic theory is made.
A Molecular Dynamics Study of the Nucleation and Growth Process in an Exothermically Reacting System

Kawakatsu Toshihiro, Ueda Akira

J Phys Soc Jpn　56　(3)　847-850　1987/03/15
Publisher: The Physical Society of Japan (JPS)
DOI： 10.1143/JPSJ.56.847 　

ISSN： 0031-9015

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An exothermic isomerization reaction expressed as $A{\leftrightarrow}B$ is studied with the molecular dynamics method for a system of about 10,000 hard disks. Two types of pattern formations are observed during the relaxation processes from initial nonequilibrium states: one is a rapid and homogeneous pattern formation like a spinodal decomposition; and the other is a nucleation and growth process. In the latter case, the radius of the domain grows linearly with time. A suggested growth mechanism for this process is presented.
Kink Dynamics in a One-Dimensional Conserved TDGL System : Condensed Matter and Statistical Physics

Toshihiro KAWAKATSU, Toyonori MUNAKATA, Department of Applied Mathematics and Physics Kyoto University, Department of Applied Mathematics and Physics Tottori University

Progress of theoretical physics = Progress of theoretical physics　74　(1)　11-19　1985/07/25
Publisher:
DOI： 10.1143/PTP.74.11 　

ISSN： 0033-068x
Velocity field and self-diffusion in liquid binary mixtures. A generalized Stokes-Einstein relation

Munakata, T., Kawakatsu, T.

Journal of Chemical Physics　80　(6)　1983

DOI： 10.1063/1.447028 　

ISSN： 0021-9606

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Misc. 107

Stress overshoot in ring/linear blend under uniaxial elongational flow

村島隆浩, 萩田克美, 川勝年洋

日本物理学会講演概要集(CD-ROM)　78　(2)　2023

ISSN： 2189-079X
Multiphysics molecular simulation analyses of phase separation in ring/linear mixed block copolymers: 2

萩田克美, 本田隆, 村島隆浩, 川勝年洋

日本物理学会講演概要集(CD-ROM)　76　(2)　2021

ISSN： 2189-079X
Numerical Analysis of Stress Overshoot Phenomena in Ring-Linear Polymer Blends under Biaxial Elongational Flow

村島隆浩, 萩田克美, 川勝年洋

日本物理学会講演概要集(CD-ROM)　76　(2)　2021

ISSN： 2189-079X
工学ひずみ速度一定の一軸伸長流動下の高分子ダイナミクス

村島隆浩, 萩田克美, 川勝年洋

分子シミュレーション討論会講演要旨集　35th (CD-ROM)　2021
Multiphysics molecular simulation analyses of phase separation in ring/linear mixed block copolymers

萩田克美, 本田隆, 村島隆浩, 川勝年洋

日本物理学会講演概要集(CD-ROM)　75　(2)　2020

ISSN： 2189-079X
Multiscale simulations on complex multiphase flows

MORII Youhei, MURASHIMA Takahiro, KAWAKATSU Toshihiro

Activity Report. Materials Design and Characterization Laboratory Supercomputer Center, Institute for Solid State Physics, University of Tokyo (Web)　2019　2019

ISSN： 2188-5001
Multiscale simulations on complex multiphase flows

MORII Yohei, MURASHIMA Takahiro, KAWAKATSU Toshihiro

Activity Report. Materials Design and Characterization Laboratory Supercomputer Center, Institute for Solid State Physics, University of Tokyo (Web)　2018　2018

ISSN： 2188-5001
8pPSB-34 The relativity between liquid crystal anchoring and physical properties of monolayer membrane

Okushima Shun, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(2)　212-212　2014/08/22
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
8pPSB-31 Theoretical model of large deformation of gels induced by self-oscillation of chemical reaction

Takahata Shoichi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(2)　211-211　2014/08/22
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
8pPSB-26 Self-consistent field theory for topological polymer solutions

Oya Yutaka, Morii Yohei, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(2)　210-210　2014/08/22
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
8pPSB-20 Research on the rheology of polymer networks using the self-consistent field theory

Endoh Kenkoh S., Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(2)　209-209　2014/08/22
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
28aAC-6 Simulations on structural transitions of membrane/polymer composites using particle-field hybrid approaches

Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(1)　405-405　2014/03/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
27pAB-8 Particle Monte Carlo method of systems simultaneously connected to three reservoirs of constant μ, P. and T

Norizoe Yuki, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(1)　397-397　2014/03/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
30pAC-6 Field theory for deformations of a vesicle in 2-dimensional Poiseuille flow

Oya Yutaka, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　69　(1)　439-439　2014/03/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
マルチスケールシミュレーションによる紐状ミセル溶液の流動解析

村島隆浩, 川勝年洋, 戸田昌利

レオロジー討論会講演要旨集　62nd　2014
8aAM-5 Particle Monte Carlo simulation of binary hard particle systems simultaneously connected to four reservoirs of constant μ_A, μ_B, P, and T

Norizoe Y, Kawakatsu T, Jinnai H, Takahara A

Meeting Abstracts of the Physical Society of Japan　69　(0)　199-199　2014
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Field Theoretic Formulation about Interactions between a Vesicle and Polymers

Oya Yutaka, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　68　(2)　309-309　2013/08/26
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Tubular formation of lipid vesicles induced by coupling of spontaneous curvature and phase separation

Sakuma Yuka, Taniguchi Takashi, Kawakatsu Toshihiro, Imai Masayuki

Meeting abstracts of the Physical Society of Japan　68　(2)　308-308　2013/08/26
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Drastic deformation of phospholipid vesicles coupled with chemophoresis

Kodama Atsuji, Sakuma Yuka, Imai Masayuki, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　68　(2)　308-308　2013/08/26
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
28pXC-4 Chemophoresis of neutral phospholipid vesicles

Kodama Atsuji, Sakuma Yuka, Imai Masayuki, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　68　(1)　440-440　2013/03/26
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
29aPS-23 Multiscale Simulation of Wormlike Micellar Solution

Murashima Takahiro, Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　68　(1)　451-451　2013/03/26
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
28pXC-3 Slow Dynamics of Soft Spherical Particles

Imai Masayuki, Sakuma Yuka, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　68　(1)　439-439　2013/03/26
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
21pAK-5 Dynamic simulation on vesicle deformation with use of continuum model

Oya Yutaka, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　67　(2)　353-353　2012/08/24
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
20aAK-8 Viscoelastic Property of Wormlike Micelles under Shear Flow

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　67　(2)　336-336　2012/08/24
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
27aPS-6 Deformation of amphiphilic membrane with spontaneous curvature : phase field approach

Oya Yutaka, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　67　(1)　424-424　2012/03/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
26pBJ-3 Effect of Spontaneous and Gaussian Curvatures on Structures and Dynamics of Wormlike Micelles II

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　67　(1)　415-415　2012/03/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
S053024 Multi-scale Observation on Membrane Electrode Assembly by Using Polarization Analysis Neutron Small-Angle Scattering, Scanning Electron Microscopy and Computer Simulation.

KOIZUMI Satoshi, KAWAKATSU Toshihiro, TOKUMASU Takashi

Mechanical Engineering Congress, Japan　2011　"S053024-1"-"S053024-3"　2011/09/11
Publisher: The Japan Society of Mechanical Engineers

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In order to perform a multi-scale observation on a membrane-electrolyte assembly (MEA) of polymer electrolyte fuel cell (PEFC), small-angle neutron scattering (SANS) was recently reinforced by advanced neutron optics. A focusing ultra-small-angle scattering method was developed by using a neutron lens, which is made of a single crystal MgF2. By combining a double crystal (Bonse-Hart) method, we are able to reach to 10 p.m length scale, which corresponds to the size of aggregation by carbon powders in an electrode layer. Polarization analysis enables us to selectively remove incoherent scattering from hydrogen atoms and to detect coherent scattering due to ion-cluster of polymer electrolyte (Nafion) and water distribution in it. In order to output structural information in real space, we examined our SANS results by comparing images in real space obtained by low vacuum SEM and multi-scale computer simulations
22pJF-14 Effect of Spontaneous and Gaussian Curvatures on Structures and Dynamics of Wormlike Micelles

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　66　(2)　322-322　2011/08/24
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
24aPS-7 Deformation of vesicle induced by polymer and flow field

Oya Yutaka, Sato Katsuhiko, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　66　(2)　340-340　2011/08/24
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
26pPSB-46 Deformation of amphiphilic membranes containing polymers

Oya Yutaka, Sato Katsuhiko, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　66　(1)　405-405　2011/03/03
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
25pGT-3 Single Polymer Dynamics by Particle-Field Hybrid Models

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　66　(1)　379-379　2011/03/03
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
25pTB-8 Dynamics of Wormlike Micelles by Particle-Field Hybrid Models II

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　65　(2)　335-335　2010/08/18
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
25pTB-5 Microphase separation in water/organic solvent/salt systems

Sato Katsuhiko, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　65　(2)　334-334　2010/08/18
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
20aEF-8 Dynamics of Wormlike Micelles by Particle-Field Hybrid Models

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　65　(1)　365-365　2010/03/01
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
23aPS-103 Equilibrium shape of amphiphilic membranes containing polymers

Oya Yutaka, Sato Katsuhiko, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　65　(1)　402-402　2010/03/01
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
23aPS-102 Deformation of vesicles controlled by spontaneous curvatures of lipids

Sakuma Yuka, Taniguchi Takashi, Kawakatsu Toshihiro, Imai Masayuki

Meeting abstracts of the Physical Society of Japan　65　(1)　402-402　2010/03/01
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Diffusion of Nano-Meter-Sized Domains on A Vesicle

Yuka Sakuma, Masayuki Imai, Naohito Urakami, Michihiro Nagao, Shigeyuki Komura, Toshihiro Kawakatsu

BIOPHYSICAL JOURNAL　98　(3)　220A-220A　2010/01

ISSN： 0006-3495
Deformation of Vesicles Controlled by Local Spontaneous Curvatures of Membrane

Yuka Sakuma, Masayuki Imai, Takashi Taniguchi, Toshihiro Kawakatsu

BIOPHYSICAL JOURNAL　98　(3)　665A-666A　2010/01

ISSN： 0006-3495
25aQF-5 シアバンディングの準安定状態(複雑液体,領域12,ソフトマター物理,化学物理,生物物理)

佐藤勝彦, 川勝年洋

日本物理学会講演概要集　64　(2)　247-247　2009/08/18
Publisher: 一般社団法人日本物理学会
ISSN： 1342-8349
ベシクル膜面上でのナノドメインダイナミクス

佐久間由香, 浦上直人, 緒方祐介, 長尾道弘, 好村滋行, 川勝年洋, 今井正幸

日本物理学会講演概要集　64　(2)　248　2009/08/18

ISSN： 1342-8349
30aPS-114 Deformation of vesicles controlled by spontaneous curvatures of lipids

Sakuma Yuka, Taniguchi Takashi, Kawakatsu Toshihiro, Imai Masayuki

Meeting abstracts of the Physical Society of Japan　64　(1)　390-390　2009/03/03
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
ナノスケールにおける脂質ドメインの拡散

佐久間由香, 今井正幸, 浦上直人, 長尾道弘, 好村滋行, 川勝年洋

日本中性子科学会年会講演概要集　9th　58　2009
21pWE-5 Deformation of vesicles controlled by spontaneous curvatures of lipids

Sakuma Yuka, Imai Masayuki, Kawakatsu Toshihiro, Taniguchi Takashi

Meeting abstracts of the Physical Society of Japan　63　(2)　317-317　2008/08/25
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
25pPSB-27 Simple Model of Entanglement Relaxation in Wormlike Micellar Systems : Dissipative Particle Dynamics Study

Toda Masatoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　63　(1)　377-377　2008/02/29
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
25pPSB-30 Molecular dynamics simulation of charged spherical colloids and flexible polyelectrolites

Katsuta Tsuyoshi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　63　(1)　378-378　2008/02/29
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
25pPSB-35 Ploymer-mediated adhesion of bilayer lipid membranes

Tashiro Hirohisa, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　63　(1)　379-379　2008/02/29
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
26aYC-13 Trial of reduction of Johnson-Segalman equation having a diffusion term

Sato Katsuhiko, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　63　(1)　390-390　2008/02/29
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
26aYC-12 Maximum Entropy Method (MEM) for the boundary condition for simulation of ordered and disordered patters II

Ogawa Hiroto, Shibata Takashi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　63　(1)　390-390　2008/02/29
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
G. Gompper and M. Schick, ed., Soft Matter; Volume 1: Polymer Melts and Mixtures, Wiley-VCH, Weinheim, 2005, Vol.1:xi+285p, 24.5×17.5cm, 各Vol. 119 EURO[大学院向・専門書], Vol.1 ISBN-10:3-527-30500-9, ISBN-13:978-3-527-30500-1 / G. Gompper and M. Schick, ed., Soft Matter; Volume 2: Complex Colloidal Suspensions, Wiley-VCH, Weinheim, 2005, Vol.2:xiii+287p, 24.5×17.5cm, 各Vol. 119 EURO[大学院向・専門書], Vol.2 ISBN-10:3-527-31369-9, ISBN-13:978-3-527-31369-3

川勝年洋

日本物理學會誌　62　(12)　956-956　2007/12/05
Publisher: 一般社団法人日本物理学会
ISSN： 0029-0181
24aPS-119 A Coarse-Grained Model Inhomogeneous Gels

Shibata T., Kawakatsu T., Furukawa H.

Meeting abstracts of the Physical Society of Japan　62　(2)　393-393　2007/08/21
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
24aRK-5 Maximum Entropy Method (MEM) for the boundary condition for simulation of ordered and disordered patterns

Ogawa H, Shibata T, Kawakatsu T

Meeting abstracts of the Physical Society of Japan　62　(2)　385-385　2007/08/21
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
24aRK-2 Density functional study on domain morphology of block copolymers undergoing polymerization reaction

Iida You, Kawakatsu Toshihiro, Motokawa Ryuhei, Koizumi Satoshi, Hashimoto Takeji

Meeting abstracts of the Physical Society of Japan　62　(2)　384-384　2007/08/21
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
19pRE-7 An analysis of the polymerization reaction field using the dynamical density functional method

Iida You, Kawakatsu Toshihiro, Koizumi Satoshi, Hashimoto Takeji

Meeting abstracts of the Physical Society of Japan　62　(1)　339-339　2007/02/28
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
20pPSA-30 Interaction between lamellar membranes in the presence of guest particles

Suzuki Hiroaki, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　62　(1)　363-363　2007/02/28
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
20aRE-9 Study of relaxation process in heterogeneity polymer gel

Shibata T., Kawakatsu T., Furukawa H.

Meeting abstracts of the Physical Society of Japan　62　(1)　346-346　2007/02/28
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
20pPSA-42 Effects of branching structures on the viscoelastic properties of entangled polymers

Watanabe Tatsuya, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　62　(1)　365-365　2007/02/28
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
24aWG-10 An analysis of the cylinder-lamellar transition in the polymerization reaction field using the dynamical density functional method

Iida You, Kawakatsu Toshihiro, Miyamoto Nobuyoshi, Koizumi Satoshi, Hashimoto Takeji

Meeting abstracts of the Physical Society of Japan　61　(2)　257-257　2006/08/18
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
30pRH-12 Monte Carlo simulation of string-like colloidal assembly

Norizoe Y., Kawakatsu T.

Meeting abstracts of the Physical Society of Japan　61　(1)　392-392　2006/03/04
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
28pTH-4 Hybrid Dynamic Density Functional Theory for Polymer Melts

Honda Takashi, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　61　(1)　364-364　2006/03/04
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
28pTH-3 Design of ordered microstructures of block copolymers

Iida You, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　61　(1)　364-364　2006/03/04
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
A Dynamical System Approach to Understanding Mobiligence : A Case Study with a Modular Robot

SHIMIZU Masahiro, KAWAKATSU Toshihiro, ISHIGURO Akio

18　217-222　2006/01/26
Single chain distributions at the interface in micro phase separated structures obtained by self consistent field calculations :

Morita Hiroshi, Jinnai Hiroshi, Sugimori Hidekazu, Kawakatsu Toshihiro, Nishi Toshio, Doi Masao

87　(1)　174-175　2006
Publisher: 物性研究刊行会
ISSN： 0525-2997
高分子の拘束が誘起する球状マイクロエマルションのネマチック転移

中谷香織, 今井正幸, 好村滋行, 川勝年洋, 浦上直人

日本液晶学会討論会講演予稿集　2005　(2005)　59-60　2005/09/05
Publisher: Japanese Liquid Crystal Society
ISSN： 1880-3490
高分子の拘束が誘起する球状マイクロエマルションのネマチック転移

中谷香織, 今井正幸, 好村滋行, 川勝年洋, 浦上直人

コロイドおよび界面化学討論会講演要旨集　58th　117　2005/08/22
22aXJ-2 Design of ordered microstructures of block copolymers using free energy landscapes

lida You, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　60　(2)　248-248　2005/08/19
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
1P1-S-005 Improvement of Learning Efficiency by Exploiting the Interplay between Control and Mechanical Systems : A Case Study with a Serpentine Robot(Emergent Dynamic Approach for Intelligence,Mega-Integration in Robotics and Mechatronics to Assist Our Daily Lives)

Hasegawa Takaomi, Kawakatsu Toshihiro, Ishiguro Akio

2005　76-76　2005/06/09
Publisher: The Japan Society of Mechanical Engineers
1A1-S-006 Slimebot: A Modular Robot That Exploits Emergent Phenomena : A Preliminary Experiment with a Real Physical Modular Robot(Self-organization Robot System,Mega-Integration in Robotics and Mechatronics to Assist Our Daily Lives)

Shimizu Masahiro, Kawakatsu Toshihiro, Ishiguro Akio

2005　32-32　2005/06/09
Publisher: The Japan Society of Mechanical Engineers
1A1-S-009 Development of a Modular Robot with High Fluidity : Induction of Protoplasmic Streaming Inspired by Sol-Gel Transition(Self-organization Robot System,Mega-Integration in Robotics and Mechatronics to Assist Our Daily Lives)

Kono Noriaki, Shimizu Masahiro, Kawakatsu Toshihiro, Ishiguro Akio

2005　33-33　2005/06/09
Publisher: The Japan Society of Mechanical Engineers
A Modular Robot Driven by Protoplasmic Streaming

KONO Noriaki, SHIMIZU Masahiro, KAWAKATSU Toshihiro, ISHIGURO Akio

20　(1)　95-96　2005/06/01

ISSN： 0915-6089
26pZD-14 Free energy landscape of microphase separation

Iida You, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　60　(1)　371-371　2005/03/04
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Self consistent field simulation on the structure obtained by 3D TEM(Soft Matter as Structured Materials) :

Morita Hiroshi, Jinnai Hiroshi, Nishikawa Yukihiro, Kawakatsu Toshihiro, Uneyama Takashi, Nishi Toshio, Doi Masao

84　(6)　837-838　2005
Publisher: 物性研究刊行会
ISSN： 0525-2997
14aTA-6 Mechanical properties of entangled polymer systems

Morii Youhei, Kawakatsu Toshihiro

Meeting abstracts of the Physical Society of Japan　59　(2)　305-305　2004/08/25
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Cheap and Rapid Learning Inspired from the Protein Folding Problem

Hasegawa T, Kawakatsu T, Ishiguro A

2004　63-64　2004/06/18
Publisher: The Japan Society of Mechanical Engineers
Emergent Morphology Control of a Modular Robot Exploiting the Interaction between Control and Body Dynamics

Takahashi M, Shimizu M, Kawakatsu T, Ishiguro A

2004　65-65　2004/06/18
Publisher: The Japan Society of Mechanical Engineers
A Consideration of Well-balanced Coupling between Control and Body Systems through a Synthetic Approach : A Case Study with a Multi-legged Robot

Hayakawa K, Kawakatsu T, Ishiguro A

2004　64-64　2004/06/18
Publisher: The Japan Society of Mechanical Engineers
高分子鎖の閉じ込めが誘起するマイクロエマルションのネマチック転移

中谷香織, 今井正幸, 好村滋行, 川勝年洋, 浦上直人

日本中性子科学会年会講演概要集　4th　93　2004
制御系と身体系の有機的調和を目指して－多脚歩行ロボットを用いた事例研究－

石黒章夫, 川勝年洋

計測と制御, 42-9(2003), 712-717.　42　(9)　712-717　2003/09
Publisher: The Society of Instrument and Control Engineers
DOI： 10.11499/sicejl1962.42.712 　

ISSN： 0453-4662
Least Stable Fluctuation Modes of Lamellar Structure Observed in a Non-ionic Surfactant/Water System

Imai M., Nakaya K., Kawakatsu T., Seto H.

Meeting abstracts of the Physical Society of Japan　58　(1)　346-346　2003/03/06
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Thermal fluctuation effects on lamellar structures of diblock copolymer melts

Mizuta Yuko, Kawakatsu Toshihiro, Doi Masao

Meeting abstracts of the Physical Society of Japan　58　(1)　337-337　2003/03/06
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
分子シミュレーション技法を応用した移動群ロボットの自律分散制御(ソフトマターの物理学2003-普遍性と多様性-,研究会報告)

清水正宏, 石黒章夫, 増渕雄一, 土井正男, 川勝年洋

物性研究　81　(2)　325-326　2003
Publisher: 物性研究刊行会
ISSN： 0525-2997
Decentralized Morphology Control of a Modular Robot Exploiting Stokesian Dynamics

Shimizu M., Ishiguro A., Kawakatsu T., Masubuchi Y., Doi M.

2003　111-111　2003
Publisher: The Japan Society of Mechanical Engineers
Toward Well-balanced Coupling between Control and Mechanical Systems

Ishimaru K., Hayakawa K., Ishiguro A., Kawakatsu T.

2003　82-82　2003
Publisher: The Japan Society of Mechanical Engineers
Enlarging Attractor Basin of a Quadruped Passive Dynamic Walker : Exploitation of cooperative phenomena by increasing degrees of freedom

Nishii Y., Ishiguro A., Kawakatu T.

2003　63-63　2003
Publisher: The Japan Society of Mechanical Engineers
27aPS-77 Stability of perforated lamellar structures of diblock copolymer melts

Mizuta Y., Kawakatsu T., Doi M., Kodama H.

Meeting abstracts of the Physical Society of Japan　57　(1)　298-298　2002/03/01
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
ブロックコポリマー系におけるヘリカルドメイン構造生成(基研研究会「ソフトマターの物理学」,研究会報告)

森田裕史, 川勝年洋, 土井正男, 山口大輔, 竹中幹人, 橋本竹治

物性研究　79　(2)　197-198　2002
Publisher: 物性研究刊行会
ISSN： 0525-2997
A Design of a Multi-legged Robot by Exploiting the Interaction Dynamics between Control and Mechanical Systems

Ishimaru K., Nakagawa Y., Ishiguro A., Kawakatsu T.

2002　46-46　2002
Publisher: The Japan Society of Mechanical Engineers
動的平均場による一端を固定された孤立高分子鎖の緩和現象

古市謙次, 野々村千里, 川勝年洋, 土井正男

成形加工シンポジア　2002　2002
Random Interfaces in Microphase-Separated Polymer Systems

Mizuta Y., Kawakatsu T., Taniguchi T., Doi M., Kodama H.

Meeting abstracts of the Physical Society of Japan　56　(2)　263-263　2001/09/03
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Mean-field calculation of lamellar structures of semicrystalline polymers

Kadoma H., Honda T., Kawakatsu T., Doi M.

Meeting abstracts of the Physical Society of Japan　56　(2)　262-262　2001/09/03
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
高分子が誘起する球状マイクロエマルションの構造転移

中谷香織, 今井正幸, 好村滋行, 川勝年洋

日本中性子科学会年会講演概要集　1st　59　2001
29p-XC-8 Dynamics of Three Component Mixtures Containing Surfactants

Ito T., Kawakatsu T., Okada Y.

Meeting abstracts of the Physical Society of Japan　54　(1)　710-710　1999/03/15
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
29p-XD-7 Domain Growth of Phase-Separating Binary Mixtures under Uniform Shear Flow

Miyajima T., Kawakatsu T., Okabe Y.

Meeting abstracts of the Physical Society of Japan　54　(1)　663-663　1999/03/15
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Phase Separation of the System Containing Surfactans by Exchange Monte Carlo Method

ITO T., KAWAKATSU T., OKABE Y.

Meeting abstracts of the Physical Society of Japan　53　(2)　828-828　1998/09/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Stability of Domains in Phase-Separating Binary Mixtures under Uniform Shear Flow

MIYAJIMA T., KAWAKATSU T., OKABE Y.

Meeting abstracts of the Physical Society of Japan　53　(2)　761-761　1998/09/05
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Monte Carlo Simulation of Phase Separation under Shear Flow

MIYAJIMA T., ITO T., KAWAKATSU T., OKABE Y.

Meeting abstracts of the Physical Society of Japan　53　(1)　696-696　1998/03/10
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
6p-YH-6 Simulation Studies on Dynamics of Phase Transitions in Block Copolymer Sytems

Kawakatsu T.

Meeting abstracts of the Physical Society of Japan　52　(2)　576-576　1997/09/16
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
29p-WF-9 Mesoscopic Simulations of Phase Separation Dynamics in Polymer Systems : An Approach with the Path Integral Method

Kuni H, Kawakatsu T

Meeting abstracts of the Physical Society of Japan　52　(1)　758-758　1997/03/17
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
30p-YJ-14 Monte Carlo Simulational Studies on Three Component Mixtures Containing Surfactants

Sekine Norio, Kawakatsu Toshihiro, Okabe Yutaka

Meeting abstracts of the Physical Society of Japan　52　(1)　720-720　1997/03/17
Publisher: The Physical Society of Japan (JPS)
ISSN： 1342-8349
Monte Carlo Simulation of Surfactant by Lattice Models

Sekine Norio, Kawakatsu Toshihiro, Okabe Yutaka

Abstracts of the meeting of the Physical Society of Japan. Sectional meeting　1996　(3)　756-756　1996/09/13
Publisher: The Physical Society of Japan (JPS)
2p-H-13 Long-Range Correlation Effects in Phase Separating Polymer Systems

Kawakatsu T.

Abstracts of the meeting of the Physical Society of Japan. Annual meeting　51　(3)　738-738　1996/03/15
Publisher: The Physical Society of Japan (JPS)
Dynamics of Phase Separations in the presence of Block Copolymers

Kawakatsu T.

Abstracts of the meeting of the Physical Society of Japan. Annual meeting　50　(3)　672-672　1995/03/16
Publisher: The Physical Society of Japan (JPS)
28p-C-6 The effects of size polydispersity in nearly hard sphere colloids

Moriguchi I, Kawasaki K, Kawakatsu T

Abstracts of the meeting of the Physical Society of Japan. Annual meeting　49　(3)　514-514　1994/03/16
Publisher: The Physical Society of Japan (JPS)
28p-C-5 Ordering Dynamics of Two-Component Vesicles

Taniguchi Takashi, Kawakatsu Toshihiro, Kawasaki Kyozi

Abstracts of the meeting of the Physical Society of Japan. Annual meeting　49　(3)　514-514　1994/03/16
Publisher: The Physical Society of Japan (JPS)
14a-G-6 A Local Dynamical Scaling Behaviour of the Ostwald Ripening in Non-uniform Systems

Nakahara Akio, Kawakatsu Toshihiro, Kawasaki Kyozi

Abstracts of the meeting of the Physical Society of Japan. Sectional meeting　1993　(3)　592-592　1993/09/20
Publisher: The Physical Society of Japan (JPS)
31p-F-3 Equilibrium Shape Deformations of Two-component Vesicles

Taniguchi Takashi, Kawasaki Kyozi, Andelman David, Kawakatsu Toshihiro

Abstracts of the meeting of the Physical Society of Japan. Annual meeting　48　(3)　512-512　1993/03/16
Publisher: The Physical Society of Japan (JPS)
27p-ZL-4 Dynamics of Phase Separating Systems Containing Amphiphilic Molecules : Thermal Fluctuation Effects

Kawakatsu T, Kawasaki K

47　(3)　379-379　1992/03/12
Publisher: The Physical Society of Japan (JPS)
球状界面近くでの高分子鎖の濃度分布(パターン形成、運動と統計,研究会報告)

谷口貴志, 川勝年洋, 川崎恭治

物性研究　57　(3)　502-503　1991
Publisher: 物性研究刊行会
ISSN： 0525-2997

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Books and Other Publications 14

高分子ナノテクノロジーハンドブック

川勝年洋

(株)エヌ・ティー・エス　2014/03/11
Understanding Soft Condensed Matter via Modeling and Computations

Toshihiro Kawakatsu

World Scientific　2010/11/30

ISBN: 9789814295581
統計物理学

川勝年洋

朝倉書店　2008/04/20

ISBN: 9784254137743
Computer Simulations of Nano-Scale Phenomena Based on the Dynamic Density Functional Theories; Applications of SUSHI in the OCTA System

Takashi Honda, Toshihiro Kawakatsu

Springer-Verlag　2007
Encyclopedia of Physics

Toshihiro Kawakatsu

Asakura Shoten　2005/10/25
ソフトマテリアルの新展開

川勝年洋

シーエムシー出版　2004/11/30
Statistical Physics of Polymers --- An Introduction ---

Toshihiro Kawakatsu

2004/06
高分子物理の基礎-統計物理的手法を中心に-(臨時別冊数理科学)

川勝年洋

2001/03
Computer Simulation Studies in Condensed-Matter Physics XIII

Kristel Michielsen, Hans De Raedt, Toshihiro Kawakatsu

Springer-Verlag　2001/01
ポリマーABCハンドブック

川勝年洋, 土井正男

（株）エヌ・ティー・エス　2001/01
Computational Physics as a New Frontier in Condensed Matter Research

Toshihiro Kawakatsu, Kyozi Kawasaki

The Physical Society of Japan　1995/06
From Phase Transitions to Chaos --- Topics in Modern Statistical Physics ---

Toshihiro Kawakatsu, Kyozi Kawasaki

World Scientific　1992/06
Molecular Dynamics Simulations

ToshihiroKawakatsu, Kyozi Kawasaki

Springer-Verlag　1992/04
Computer Experiments of Chemically Reacting Condensed Matter

川勝年洋, 上田顕

海文堂　1988/09

Show all Show first 5

Presentations 133

Multiscale simulations using particle-field hybrid model Invited

Yohei Morii, Toshihiro Kawakatsu

International Conference on Principles of Soft Matter Science　2025/05/11
高分子多相系の構造と動力学のマルチスケールシミュレーション Invited

川勝年洋

JSOL CAEフォーラム2024　2024/11/27
ソフトマテリアルのシミュレーション研究における平均場理論の方法の活用 Invited

川勝年洋

第28回高分子計算機科学研究会講座　2024/07/11
Multiscale simulations of polymeric fluids Invited

Yoshinori Tomiyoshi, Yutaka Oya, Tomonaga Okabe, Yohei Morii, Toshihiro Kawakatsu

Nagoya Workshop on Molecular Simulations of Soft Matters 2022　2022/11/17
Density functional theories for thermoplastic/thermosetting resins

Naofumi Umemoto, Yutaka Oya, Yoshinori Tomiyoshi, Toshihiro Kawakatsu, Tomonaga Okabe

The US-JAPAN/EU-JAPAN Joint Conference on Composite Materials　2022/07/20
密度汎関数ベースのシミュレーション

川勝年洋

SIP A3-B1連携シンポジウム　2021/12/22
不均質高分子系のマルチスケール流動シミュレーション Invited

川勝年洋

第49回産応協セミナー「マルチスケール・連成解析の技術展望と適用事例」　2021/08/31
高分子多相系の構造形成と流動の粗視化シミュレーションの基礎 Invited

川勝年洋

第25 回高分子計算機科学研究会講座「理論・シミュレーションの基礎」　2021/06/16
ソフトマテリアルの計算科学 Invited

川勝年洋

ソフトマテリアル研究拠点第１回シンポジウム　2021/03/31
Coarse-Grained Simulations on Reaction-Induced Phase Separation Invited

Yutaka Oya, Yoshinori Tomiyoshi, Toshihiro Kawakatsu, Tomonaga Okabe

SmaSys 2020　2020/10/30
環状／線状混合系のブロックコポリマー相分離構造に対する複合的分子シミュレーション解析

萩田克美, 本田隆, 村島隆浩, 川勝年洋

日本物理学会2020年秋季大会　2020/09/10
マルチスケール流動シミュレ－ション用プラットフォーム（MSSP）の開発、および、複雑流動のシミュレーション

川勝年洋

第9回材料系ワークショップ ~「富岳」で飛躍へ！経緯さんデータの価値~　2020/02/17
複雑流動のマルチスケールシミュレーション Invited

森井洋平, 川勝年洋

セミナーシリーズ「スパコンプロフェッショナルNo.24」　2019/10/29
Density functional theory for inhomogeneous polymer-composite materials Invited

Yutaka Oya, Naofumi Umemoto, Tomonaga Okabe, Toshihiro Kawakatsu

International Workshop on Application of Materials Integration for CFRP　2019/10/17
粗視化分子動力学法とクラスター解析を組み合わせた電解質膜イオンチャネル構造の解析

奥島駿, 前川康成, 川勝年洋

第68回高分子討論会　2019/09/25
高分子を含む複雑流動のマルチスケールシミュレーション Invited

川勝年洋

第68回高分子討論会　2019/09/25
混相流のマルチスケール解析に関するサブ課題Bでの連携研究 Invited

川勝年洋

第3回ポスト「京」萌芽的課題「基礎科学の挑戦」・「極限マテリアル」合同公開シンポジウム　2019/08/01
サブ課題Ｂ「相転移と流動」の進捗と体制 Invited

東北大理, 森井洋平, 村島隆浩, 川勝年洋, 東北大金研, 芝隼人, 寺田弥生, 京大工, 谷口貴志, 山本量一, JAMSTEC, 國嶋雄一, 松田景吾, 大西領, 東大物性研, 浅野優太, 渡辺宙志, 野口博司, 東大地震研, 小屋口剛博, 東大工, 伊藤伸泰, 日本ゼオン)本田隆

第3回ポスト「京」萌芽的課題「基礎科学の挑戦」・「極限マテリアル」合同公開シンポジウム　2019/06/01
Multiscale Simulation Methods in Complex Fluids International-presentation Invited

KAWAKATSU Toshihiro

10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10)　2019/07/24
複雑流体のマルチスケールシミュレーション Invited

川勝年洋

研究会：原子・分子レベルから連続体レベルに至るマルチスケールの理論構築と実際運用　2019/03/28
高分子等の複雑流動のマルチスケールモデリング Invited

川勝年洋

公益社団法人新化学技術推進協会先端化学部会コンピュータケミストリ分科会講演会　2019/03/26
サブ課題B「相転移と流動」の全体概要と体制 Invited

川勝年洋

第2回ポスト「京」萌芽的課題「基礎科学の挑戦」・「極限マテリアル」合同公開ワークショップ　2019/01/10
高分子平均場理論等からの階層化 Invited

川勝年洋

超先端材料超高速開発基盤技術プロジェクト第10回研究進捗報告会　2018/11/27
複雑混相流道のマルチスケールシミュレーション Invited

川勝年洋

PCoMSシンポジウム&計算物質科学スーパーコンピュータ共用事業報告会2018　2018/10/23
両親媒性分子膜の粗視化モデル Invited

川勝年洋

ベシクルの変形の物理と数理　2018/10/06
Lecture 2: Applications: Dynamics of Polymer/Surfactant Systems International-presentation Invited

KAWAKATSU Toshihiro

2018 International Symposium on Multiple Scale Modelling of Complex Fluids – Fundamental Challenge and Industrial Applications　2018/09/26
Lecture 1: Fundamentals/Methodology: Multiscale Simulation Methods in Complex Fluids International-presentation Invited

KAWAKATSU Toshihiro

2018 International Symposium on Multiple Scale Modelling of Complex Fluids – Fundamental Challenge and Industrial Applications　2018/09/26
高分子材料等の複雑流動解析のためのマルチスケールシミュレーション手法 Invited

川勝年洋

第67回高分子討論会　2018/09/12
サブ課題AB連携『マルチスケールシミュレーションを用いたアモルファス固体の破壊シミュレーション』 Invited

KAWAKATSU Toshihiro

第2回ポスト「京」萌芽的課題「基礎科学の挑戦」・「極限マテリアル」合同公開ワークショップ　2018/07/03
Multiscale Modeling on Complex Multiphase Flows International-presentation Invited

KAWAKATSU Toshihiro

Nano-structured soft matter: a synergy of approaches to amphiphilic and block copolymer systems　2018/06/26
棒状分子と界面の複合系の秩序形成

OKUSHIMA Shun, KAWAKATSU Toshihiro

液晶学会ソフトマターフォーラム第１７回講演会「液晶の変調構造成因と応用」　2018/03/10
高分子場シミュレーションの現状と展開 Invited

KAWAKATSU Toshihiro

茨城県中性子利用促進研究会平成29年度小角散乱分科会　2017/12/08
高分子と界面活性剤の示すメソスケール構造と微分幾何 Invited

KAWAKATSU Toshihiro

離散幾何解析とその周辺 2017　2017/12/02
「ポスト「京」萌芽的課題「基礎科学の挑戦」サブ課題B「相転移と流動」の研究内容紹介」 Invited

KAWAKATSU Toshihiro

ポスト「京」萌芽的課題「基礎科学の挑戦」サブ課題B「相転移と流動」公開シンポジウム　2017/11/24
高分子/界面活性剤系の相分離にともなう構造形成過程 Invited

KAWAKATSU Toshihiro

日本物理学会2017年秋季大会領域12シンポジウム「ソフトマターの構造形成とその制御」　2017/09/22
ベシクルの自己生成過程の非平衡熱統計力学的アプローチ

川勝年洋, 佐久間由香, 今井正幸

日本物理学会2017年秋季大会　2017/09/22
Mesoscopic simulations on phase separation of polymer/membrane systems International-presentation Invited

KAWAKATSU Toshihiro

The 9th Conference of the Asian Consortium on Computational Materials Science (ACCMS9)　2017/08/09
相転移と流動

KAWAKATSU Toshihiro

第1回ポスト「京」萌芽的課題「基礎科学の挑戦」・「極限マテリアル」合同公開シンポジウム　2017/07/18
計算機科学より Invited

KAWAKATSU Toshihiro

第1回Living Soft Matter 研究会　2017/07/04
平均場理論解説 Invited

KAWAKATSU Toshihiro

第22回高分子計算機科学研究会講座 ――マルチスケールな高分子シミュレーション技術――　2017/06/20
高分子相分離構造のマルチスケールシミュレーション Invited

KAWAKATSU Toshihiro

量子科学技術開発機構高分子セミナー　2017/05/02
Bridging microscopic and mesoscopic properties in multiscale modeling of polymer melts and composite systems International-presentation

CDMSI International Workshop on “Scale bridging for the atomistic design of high performance materials”　2017/02/20
高分子濃厚系の相分離構造の動力学

高分子学会東北支部講演会　2017/02/07
Dynamics of dense polymer blends and blockcopolymer systems International-presentation

CECAM Workshop on “Multiscale Simulation Methods for Soft Matter Systems”　2016/10/04
Phase separation dynamics of polymer blends and blockcopolymer systems International-presentation

The A3 mini-Workshop on Soft matter　2016/03/23
Dynamic Self-Consistent Field Theory for Entangled Polymer Systems International-presentation

Lorentz Center Workshop on “The Future of Multi-Scale Soft Matter Modeling”　2015/08/31
Coarse-grained structures and dynamics of amphiphilic systems International-presentation

KITPC/ITP-CAS Workshop on “Controlled Structural Formation of Soft Matter”　2015/08/03
粒子－連続場ハイブリッド法を用いた高分子/膜系の組織構造と動力学

第18回理論化学討論会　2015/05/20
ループ型相図を描く二成分混合液体の相分離ダイナミクス

戸田昌利, 梶本真司, 豊内秀一, 川勝年洋, 赤間陽二, 小谷元子, 福村裕史

日本物理学会第70回年次大会　2015/03/21
Field theories for shape deformations of vesicles International-presentation

Computational condensed matter: advances and challenges (CompMat2014)　2014/09/07
場の理論および粒子シミュレーションの融合による生体膜と高分子複合系の構造変化のシミュレーション

日本物理学会第69回年次大会　2014/03/27
高分子と膜構造の粗視化モデルによるマルチスケールシミュレーション

13-6 ポリマーフロンティア２１高分子材料の最新シミュレーション技術－マルチスケールシミュレーションの最前線－　2014/03/14
ガウシアンランダム場の方法による構造解析

第２回ソフトマター中性子散乱研究会　2014/03/04
Theories and Computer Simulations on Structure and Dynamics of Complex Fluids International-presentation

An International Winter School and Symposium on Statistical Mechanics and Simulation of Nonlinear Dynamics　2014/01/03
Hybrid field theories for complex domains in polymer-surfactant systems International-presentation

2013 Northeastern Asian Symposium on High Performance Computing Methods and Modeling　2013/09/22
場の理論の方法を用いた高分子メソ構造の動力学シミュレーション

第62回高分子討論会　2013/09/11
密度汎関数理論を用いたシミュレーションによるメソ構造の予測

平成25年度第1回ソフトマター中性子散乱研究会　2013/09/06
Field theoretic approaches to polymer/membrane systems International-presentation

International workshop on mesoscale dynamics on interface 2013 (MDOI2013)　2013/09/02
Dynamics of complex domains in polymer-surfactant systems International-presentation

Collaborative Conference on 3D & Materials Research (CC3DMR) 2013　2013/06/24
高分子・界面活性剤系のハイブリッド・シミュレーション手法に基づく構造と物性予測

2012年度高分子基礎物性研究会・高分子計算機科学研究会・高分子ナノテクノロジー研究会合同討論会　2012/11/21
Simple crack propagation model of pressure-sensitive adhesives International-presentation

Shinobu Sekine

The 6th International Workshop on Advanced Materials Science and Nanotechnology,　2012/10/30
Field Theoretical Approach for Polymer Containing Vesicle International-presentation

Yutaka Oya

The 6th International Workshop on Advanced Materials Science and Nanotechnology,　2012/10/30
Dynamics of complex domains in polymer-surfactant systems International-presentation

The 6th International Workshop on Advanced Materials Science and Nanotechnology,　2012/10/30
Dynamics of complex domains in polymer-surfactant systems International-presentation

Random Media II(CREST Workshop)　2012/09/03
Dynamic Density Functional Theories for Inhomogeneous Polymer Systems and Membranes International-presentation

The 5th International Discussion Meeting on Glass Transition　2012/02/27
Dynamic Density Functional Theory for Structural Formation in Block Copolymer and Membrane Systems International-presentation

BIT's 1st Annual World Congress of Nano S&T　2011/10/23
Coarse-grained Models for Polymers and Surfactant Systems International-presentation

The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials　2011/09/10
Hybrid Simulations for Polymer/Membrane Systems International-presentation

International Workshop for Molecular Simulations for Polymers　2011/09/09
Dynamic Self-Consistent Field Theory and Its Applications to Mesoscopic Structures in Polymer and Surfactant Systems International-presentation

DICP Symposium on Theoretical and Computational Chemistry　2011/08/16
Hybrid approaches in density functional theories on polymer/membrane systems International-presentation

International Conference on the Hierarchical Structures in Complex Fluids　2011/07/04
Why Does Shear Banding Behave Like First-Order Phase Transitions?: Derivation of a Potential from a Mechanical Constitutive Model International-presentation

Katsuhiko Sato, Xue-Feng Yuan, Toshihiro Kawakatsu

5th Pacific Rim Conference on Rheology　2010/08/01
Coarse-Grained Dynamical Models for Self-Assembling Amphiphilic Molecules International-presentation

43rd IUPAC World Polymer Congress　2010/07/11
Self-consistent field theory for polymers under confinement International-presentation

Self-Assembly of Block Copolymers: Theoretical Models and Mathematical Challenges　2010/05/23
Coarse-Grained Dynamical Models for Self-Assembling Amphiphilic Molecules International-presentation

T. Kawakatsu

The 3rd Discussion Meeting on Glass Transition　2010/03/15
Dynamics of Structural Phase Transition of Polymeric Mesophases International-presentation

Dung Q Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

The IUMRS International Conference in Asia 2008 (Symposium Y)　2008/12/09
Structure and dynamics of mesophases of polymeric nanomaterials International-presentation

Fudan-Tohoku Joint Workshop　2008/11/13
Development of Dynamic Density Functional Theories of Multiphase Dense Polymeric Systems International-presentation

IMA Annual Program Year Workshop: Development and Analysis of Multiscale Methods　2008/11/03
統計力学の基礎－ミクロとマクロをつなぐ方法－

先端化学技術部会コンピュータケミストリー分科会講演会高分子シミュレーション基礎講座第２回　2008/07/17
Dynamics and Rheology of Phase Transitions in Polymer Systems International-presentation

Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

International Symposium on Non-Equilibrium Soft Matter　2008/06/02
Dynamic Self-Consistent Field Theory for Dense Polymer Systems under External Fields and Constraints International-presentation

Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

Workshop on Multiscale Modeling of Complex Fluids　2008/05/26
Dynamic self-consistent field theory for inhomogeneous polymer systems International-presentation

Toshihiro Kawakatsu, Xue-Feng Yuan

International symposium on Meso-scale Dynamics on Interface 2008　2008/03/28
高分子混合系とブロック共重合体の相分離の基礎理論

川勝年洋

先端化学技術部会コンピュータケミストリー分科会講演会　2008/02/27
ブロックコポリマーのミクロ相分離構造の理論予測

川勝年洋

第６回高分子ナノテクノロジー研究会講座「高分子工業とナノテクノロジー」　2008/02/14
Dynamics of Microphase Structures in Polymer Systems International-presentation

Dung Q. Ly, Takashi Honda, Toshihiro Kawakatsu, Andrei V. Zvelindovsky

International Micro-symposium on "Structures and Dynamics of Complex Polymers"　2007/12/03
Mesoscopic Modelling of Amphiphilic Block Copolymers: Structural Phase Transition between Gyroid and Others International-presentation

Dung Q. Ly, Takashi Honda, Andrei V. Zvelindovsky, Toshihiro Kawakatsu

Lecture Series on Surface Forces 1 (IMRAM Tohoku University)　2007/09/06
高分子の相分離とレオロジー挙動の粗視化モデルと高分子物理学

川勝年洋

東亞合成（株）名古屋研究機構講演会　2007/07/13
Dynamical Simulations on Morphological Transitions of Block Copolymers International-presentation

Takashi Honda, Dung Q. Ly, Andrei V. Zvelindovsky, Toshihiro Kawakatsu

Mesoscale Modelling for Complex Fluids and Flows　2007/06/25
粗視化モデルによる高分子多相系の動力学シミュレーション

Dung Ly, Andrei Zvelindovsky, 本田隆, 川勝年洋

文部科学省科学研究費補助金特定領域研究「非平衡ソフトマター物理学の創成」第１回公開シンポジウム「非平衡ソフトマター物理学の創成をめざして」　2007/03/15
高分子/界面活性剤系のメソ構造と動力学の粗視化モデル

川勝年洋

第４回強相関超分子系の構築と階層間情報伝達機構の改名グループ年度末報告会　2007/03/02
Mesoscopic Modelling of Block Copolymers: Structural Phase Transition between Gyroid and Others International-presentation

Takashi Honda, Dung Q. Ly, Andrei V. Zvelindovsky, Toshihiro Kawakatsu

BSR (The British Society of Rheology) 2006 Annual Meeting “Dynamics of Biofluids and Biomaterials”　2006/12/11
高分子複合系の相分離挙動の数値的予測手法の発展

（株）日本総研ソリューションズ主催第１回J-OCTA Users Conference 2006　2006/09/19
Mesoscopic Modeling of Microphase Separations of Polymer Systems International-presentation

Toshihiro Kawakatsu, Takashi Honda

21st Century COE and Seiken (NO.46) International Workshop on Recent Advances in Soft Matter Physics　2006/08/21
高分子の粗視化モデルの役割と基礎知識

０６－１高分子学会講演会「高分子の振る舞いを理解する」　2006/07/07
自己無撞着場理論による高分子系の構造と動力学の解析

日本原子力研究開発機構「中性子散乱・超分子・ソフトマター研究会」　2006/03/09
高分子相分離系のマクロ流動特性とミクロ構造のリンケージ

京都大学基礎物理学研究所研究会「ミクロからマクロへ、マクロからミクロへ」　2005/11/16
自己無撞着場理論と高分子非相溶系の動力学

九州大学物理学教室教室談話会　2005/10/20
高分子の相分離ダイナミクスと平均場近似

新化学発展協会高分子ワークショップ講演会　2005/10/07
Viscoelasticity and Self-Consistent Field Theory of Polymers International-presentation

The Japanese-German Joint Meeting on Nonlinear Pattern Dynamics in Complex and Reactive Fluids far from Equilibrium　2005/09/26
Simulations of Nanostructured Fluids, Soft Materials, and Self-Assembly International-presentation

Nanotech 2005　2005/05/08
Self-Consistent Mean Field Theory of Entangled Polymer Systems International-presentation

International Symposium on "Knots and Polymers"　2005/02/17
Dynamical Simulations of Multi-Phase Polymer Systems Using Self-Consistent Field Theory International-presentation

2nd International Symposium on Combinatorial Computational Chemistry　2004/11/20
高分子メソフェイズの自己無撞着場理論

文部科学省科学研究費補助金研究会　2004/06/25
Dynamical Self-Consistent Field Theory for Inhomogeneous Dense Polymer Systems --- Bridgeing between Microscopic Chain Structures and Dynamics of Mesoscopic Domains --- International-presentation

The 21st Century COE Program of Tohoku University International Symposium "Exploring New Science by Bridging Particle-Matter Hierarchy　2004/03/05
動的自己無撞着場法による高分子の構造形成と粘弾性の計算理論の開発

科学研究費補助金特定領域研究「強相関ソフトマテリアルの動的制御」公開シンポジウム　2004/01/26
高分子系のメソスケール構造の動力学の理論予測

日本中性子科学会第３回年会　2003/12/10
ポリマー複合材料におけるナノスケール構造のシミュレーション

東北大学ナノテクノロジーフォーラム第４回研究会　2002/10/09
Dynamic Extension of the Self-Consistent Field Theory of Inhomogeneous Polymer Systems International-presentation

International Workshop on "Chain Molecules at Interfaces: SCF Theory and Experiment　2002/08/25
Simulating Mesoscopic Structures and Dynamics of Polymer Interfaces Using Density Functional Techniques International-presentation

European Material Research Society (E-MRS) 2002 Spring Meeting　2002/06/18
An Integrated Multiscale Simulation System for Multiphase Polymer Systems

MCC Workshop on Soft Matter Physics　2002/03/29
Mesoscale Modellings of Multi-Phase Polymer Systems Using Density Functional Approaches International-presentation

The Knowlegde Fundation's 2nd International Conference on "Multiscale Modeling - Bridging the Gap between Atomistic and Meso Scales -"　2001/08/13
密度汎関数法を用いた高分子濃厚系のメソスケール・シミュレーション

分子シミュレーション研究会主催講演会「分子シミュレーションの新しい展開」　2001/07/28
動的密度汎関数法を用いた高分子相分離系のメゾスコピック・モデリング

第４８回高分子討論会　1999/10/06
Dynamic Density Functional Approach to Phase Seaparation Dynamics of Polymer Systems International-presentation

U.S.- Japan Bilateral Seminar "Understanding and Conquering Long Time Scales in Computer Simulations"　1999/07/27
Modeling Mesoscopic Phase Separation Dynamics in Polymer Systems International-presentation

CECAM Workshop on "Mesoscopic Simulations of Complex Liquids"　1999/05/17
平均場近似による高分子材料設計の現状

第３回高分子基礎講座 -- 計算化学からのアプローチ --　1998/12/09
ブロック共重合体を含む系の相転移とシミュレーション

日本物理学会１９９７年秋の分科会　1997/10/05
Dynamics of Phase Separation in the Presence of Blockcopolymers International-presentation

International Workshop on Pattern Formation in Complex Fluids and Biology　1997/09/01
高分子混合系の組織構造形成のメソスケールでのモデル化とシミュレーション

第５３回高分子学会東海懇談会　1997/08/25
高分子界面の平均場近似と動力学

第１１回高分子計算機科学研究会　1997/03/03
高分子混合系の動力学におけるメソスコピック・シミュレーション

第３４回高分子材料自由討論会　1996/06/30
高分子非相溶系のメゾスコピックシミュレーション

日本化学会第７０春季年会特別企画「計算機材料設計」　1996/03/28
Phase Separation in the Presence of Surfactants International-presentation

KEK Meeting on "Pattern Formation"　1995/05/22
Computer Simulations of Phase Separations in Surfactant Solutions International-presentation

International Symposium on Molecular Simulation　1994/11/23
Dynamics of Self-Assembling Surfactant Solutions --- Computer Simulation Approaches --- International-presentation

International Workshop on Formation and Dynamics of Self-Organized Structures in Surfactant and Polymer Solutions　1994/10/05
Mesoscopic Simulations of Complex Fluids International-presentation

Physics Computing '93　1993/05/31
界面活性剤系の相分離とモルフォロジー

高エネルギー研究所研究会「分子集合状態のキャラクタリゼーション」　1993/02/15
A Hybrid Simulation Method for Phase Separating Systems with Amphiphilic Molecules International-presentation

Computational Physics for Condensed Matter Phenomena (CPCMP) II　1992/10/19
Dynamics of Spinodal Decomposition in the Presence of Surfactant Molecules International-presentation

The 18th IUPAP International Conference on Statistical Physics　1992/08/02
Computer Experiments on Systems Containing Surfactants International-presentation

Taniguchi Internatioal Symposium on Molecular Dynamics Simulations　1990/11/06
Computer Experiments on Phase Separation Processes in Immiscible Binary Mixtures with Surfactants International-presentation

NRIM Internatioal Workshop on Computational Materials Science　1990/08/23
化学反応を伴う多粒子系の計算機実験

日本物理学会１９８８年秋の分科会　1988/10/03
Multiscale simulations of complex fluids Invited

Toshihiro Kawakatsu

Symposium: Molecular Simulation -- Into the Future!　2024/05/25
高分子流体のマルチスケール流動シミュレーション Invited

川勝年洋

OCTA20周年記念講演会　2023/05/27

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Research Projects 33

Evolvable Self-Reproducing Minimal Cells: Toward Artificial Living Systems

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

2023/04/01 - 2026/03/31
Development of Hierarchical Computational Technique for Complex Flows in Surfactant/polymer Composites

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

2022/04/01 - 2025/03/31
Non-Equilibrium Thermodynamic Conditions for Emergence of Life Revealed by Minimal Cells

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

2020/04/01 - 2023/03/31
Development of Hydrogen-terminated Si surfaces and the growth of metal nanoclusters under diffusion limited condition

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

2019/04/01 - 2022/03/31
Multiscale Simulations on Complex Flows in Polymer/Surfactant Systems

Kawakatsu Toshihiro

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

2019/04/01 - 2022/03/31

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Complex flows in a fluid with dispersed amphiphilic membranes (such as vesicles) are typical examples of target phenomena of multiscale simulations. We developped a multiscale simulation method, where the macroscopic flow is described by smoothed particle hydrodynamics (SPH) method, while the migration and diffusion opf amphiphilic molecules on the vesicle membrane are simulated by microscopic molecular models embedded in each of the SPH particles. With this formulation, we could simulate Marangoni flows coupled with the defromation of the vesicle. In this methodology, we succeeded in reproducing complex flow and deformation of vesicle by a combination of 3 techniques, i.e. tracing the membrane surface, parallel computation of flow and elastic deformation of the membrane, and the diffusion of amphiphilic molecules on the membrane surface.
Investigation of the functional prediction of polymer materials base on informatics and structural data

Maekawa Yasunari

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: National Institutes for Quantum Science and Technology

2018/04/01 - 2022/03/31

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In this study, we found that the random forest method is suitable for predicting the properties such as conductivity of polyelectrolyte membranes produced by the radiation grafting technique. We elucidated the important parameters that affect functionality to obtain the material design points for improving functionality. In addition, by structural analysis of polymer functional materials using X-ray and neutron beam, we also clarified the structural factors and obtain the structural data for functional prediction. Furthermore, we succeeded in visualization and digitization of the structure of polyelectrolyte membranes by coarse-grained molecular dynamics simulation, and proved that the simulation is useful for expanding structural data.
Formulation and application of veriational approaches to non-equilibrium phenomena

KAWAKATSU toshihiro

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for Challenging Exploratory Research

Institution: Tohoku University

2016/04/01 - 2019/03/31

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We discuss dynamics of soft matter under nonequilibrium state by utilizing variational principle on free energy and dissipation functional. Examples are taken from the following phenomena : 1) dynamics of vesicles in flow field, 2) translocation of a vesicle through a small pore, 3) structural transition of microphase separation of block copolymer, and 4) lubrication of a pair of solid walls covered by grafted polymers. We discussed the dynamics and steady states of these systems.
Road from vesicles to protocells: metabolism, information, thermodynamics

Imai Masayuki

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

2016/04/01 - 2019/03/31

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This research aims to construct minimal cell having essence of biological functions by using non-biological substances, so-called soft materials, whereby we reveal physics underlying the life. We focused on molecular assembly systems composed of synthesizing information polymer encoding vesicle membrane and growth-division vesicle coupled with the synthesis of information polymer. We succeeded to demonstrate the reproduction of vesicles coupled with an enzymatic polymerization reaction (synthesis polyaniline: PANI-ES) occurring on the surface of vesicles composed of AOT and cholesterol. An important characteristic of this reproduction system is that the AOT/cholesterol vesicles encourage the synthesis of PANI-ES and PANI-ES promotes the growth of AOT vesicles. This mutual promotion kinetics captures an essential feature of minimal cells.
Hybrid density functional theory for polymer/surfactant systems

Kawakatsu Toshihiro

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

2014/04/01 - 2018/03/31

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The present study aims to develop and extend the hybrid approach for soft matter where different descriptions are combined together, and to apply it to 1) shape deformation of closed membranes induced by enclosing isotropic/anisotropic fluids, structure of stalk when two membranes are connected, chemical details and hydrodynamic effects on micellar structures, 2) interaction between a membrane and liquid crystal through anchoring effect, and 3) ordering processes of polymer chains in biological fibers.
Simulation techniques for soft matter by coupling between oscillation and elastic fields

KAWAKATSU TOSHIHIRO, MORII Youhei

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for Challenging Exploratory Research

Institution: Tohoku University

2014/04/01 - 2017/03/31

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Microscopic structures and viscoelastic behavior of network polymers are expressed in terms of molecular models and field models. These models are simulated in order to analyze their deformations due to internal chemical oscillations or externally imposed deformation and flow. By combining a model of elastic network of polymers with an embedded chemical reaction, we developed a simulation technique for the oscillatory deformations of polymer networks induced by the reaction. We also developed a molecular model for biopolymers that compose biological fibers, and performed simulations on its elastic properties.
Coarse-grained theory on topological effects of entangled polymer systems

KAWAKATSU Toshihiro, OYA Yutaka

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for Challenging Exploratory Research

Institution: Tohoku University

2012/04/01 - 2015/03/31

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Equilibrium and dynamic properties of highly entangled polymer systems are studied by self-consistent field(SCF) theory. We introduced vector and tensor order parameters into SCF theory so that we can describe non-equilibrium bond distribution. By evaluating the tensor order parameter using perturbation expansion, we succeeded in reproducing rheological properties of mesophases of entangled block copolymers. We then applied this SCF theory to ring polymer melts, where the topological invariant is included. As the convergence of the iteration procedure was very poor, we developed a new algorithm to solve this SCF equation.
Density functional theories on self-assembling polymer/surfactant systems

KAWAKATSU Toshihiro, MURASHIMA Takahiro

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

2011/04/01 - 2014/03/31

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To study mesoscopic dynamics of polymer/surfactant systems, we developed hybrid methods where field theories and molecular models are combined. 1) Using a hybrid method of self-consistent field and molecular dynamics simulation, we simulated membrane structures. 2) A combination of self-consistent field theory and phase field theory was applied to deformations of membranes that contain polymers and flow behavior of these membranes. 3) Worm-like micellar systems were simulated using a newly-developed coarse-grained particle model with hydrodynamic equation for the solvent. This model was further combined with a macroscopic flow simulator that can simulate inhomogeneous flows.
Dynamical theories on inhomogeneous polymer systems ranging from the microscopic to macroscopic scales

KAWAKATSU Toshihiro, SATO Katsuhiko, DEGUCHI Tetsuo

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for Scientific Research on Priority Areas

Institution: Tohoku University

2006 - 2010

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In order to study inhomogeneous polymeric systems, we developed multi-scale theories ranging from microscopic monomeric scales to macroscopic hydrodynamic scales. Our main methodology is the density functional theory with which one can describe polymer systems on the coarse-grained level. By extending this theory to dynamical phenomena, we studied structure formation and structural transition of phase separated polymer systems under an external electric field or a flow field. We also developed a hybrid approaches by combining this density functional theory with molecular models or by combining it with membrane models, and studied their behavior by computer simulations.
Overview study on the creation of non-equilibrium soft matter physics

OHTA Takao

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for Scientific Research on Priority Areas

Institution: Kyoto University

2006 - 2010

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In order to establish a new research field, the management group of Grant-in-Aid for Scientific Research on Priority Area "Creation of non-equilibrium soft matter physics: Structure and dynamics of mesoscopic systems" has been responsible for conducting four subgroups of the network project, i.e., "Molecular dynamics in structure-forming dense polymer systems", "Dynamics of mesoscopic structural transitions", "Dynamics of non-equilibrium structure", and "Theories and modeling". The public participation research which consisted of more than 50 groups has been led by the management group as well. For the purpose of promoting the network activity, the management group organized various kinds of meetings, symposiums, and workshops. The management group also kept the website of the network and prepared several reports.
高分子と膜の混合系におけるモルフォロジー転移の理論

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 萌芽研究

Institution: 東北大学

2007 - 2008

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ミセルや薄膜のような狭い空間に高分子を閉じこめた場合、狭い空間への閉じこめによる配位のエントロピーの現象と、高分子と膜面との相互作用、膜の変形などの種々の効果が融合して複雑な現象を示すことが知られている。そのような現象を理論的に解明するために、我々は高分子を経路積分によって表現し、自己無撞着場理論の方法を適用することで、壁面近傍の高分子鎖の配位の変形を定量的に計算した。具体的な例として、高分子の慣性半径に比べて狭い容器(薄膜あるいは球状の容器)の内部に閉じこめられたA-Bジブロック共重合体の相分離構造をシミュレートした。薄膜の厚さと壁面との相互作用を調節することで、3次元空間中では安定に存在できない穴あきラメラ構造を安定に形成することに成功した。また、壁面の化学的性質を変化させる(壁面との相互作用パラメタを変化させる)ことにより、相分離の構造がどのように影響を受けるかを系統的に調べた。次にこの系に電場を印可することで、相分離のドメイン構造のモルフォロジーの転移を誘起し、転移の動力学を調べた。電場印可の方向によって異なる転移の経路が確認された。また、外場による構造相転移と臨界現象の間に形式的な対応があることも示すことが数値シミュレーションから示唆され、界面ダイナミクスの方法を用いた基礎方程式の理論的な考察からこの予想が正しいことを示すことが出来た。膜面の変形の自由度に関しては、ヘルフリッヒの弾性膜モデルを用いた準備的な数値計算を行った。今後、両者を融合して新しい計算手法を開発する。
Development of Dynamic Self-Consistent Field Theory on Macroscopic Viscoelastic Properties of Polymer Systems

KAWAKATSU Toshihiro

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

2004 - 2006

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1.Structural Phase Transitions between Mesophases of Block Copolymers : We studied the dynamics of the structural phase transition from a gyroid structure to a cylindrical structure induced by an external shear flow using dynamic self-consistent field technique. By adopting a modeling in the real space and a system size adjustment technique, we succeeded in reproducing the nucleation and growth process associated with the first order phase transition, and phase coexistence. We also found the so-called epitaxial condition between the initial and the final periodic structures, where the transition pathway is different from the previous predictions based on the experimental data. 2.Dynamics of Mesophase Formation of Block Copolymers under Hydrodynamic Interactions : We developed a simulation technique of dynamic self-consistent field theory that explicitly takes the hydrodynamic interactions into account. Using this technique, we simulated dynamics of the phase separation under the influence of the hydrodynamic interaction. We found an acceleration of the phase separation and a realization of the final equilibrium state only when the hydrodynamic interaction is present. 3.Simulation of Viscoelastic Properties Using Self-Consistent Field Theory : We developed a technique to simulate the viscoelastic properties of polymeric systems by combining a hydrodynamic flow equation and a stress field calculated with the self-consistent field theory. We confirmed that our procedure to calculate the stress field is essentially identical to the most recent reptation theory for homogeneous systems. 4.Other than the above-listed works, we studied some other topics, such as cluster formations in gels, controlling phase separation structures of block copolymers, spatially ordered structures in dense colloidal suspension, and so on.
紐の数理モデルを用いた不均一トポロジカルゲルの計算理論の構築

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 萌芽研究

Institution: 東北大学

2004 - 2005

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高分子・コロイド系において、高分子鎖および構造のポロジーが関与する問題として,以下の諸問題を理論的に定式化し、計算機シミュレーションによって解析した。 1.環状高分子濃厚系の自己無撞着場理論昨年度に引き続き、環状高分子濃厚系を自己無撞着場理論をもちいて定式化する手法として、トポロジー不変量をもちいて記述する方法の定式化とシミュレーションを進めた。従来もちいていた自己無撞着場理論にガウスの絡み目数を導入する方法では、高次元系のシミュレーションを実行する際に、必要となる計算機のメモリー量が確保できなくなるため、新たに自己無撞着場理論と鎖のバネビーズモデルのモンテカルロシミュレーションを組み合わせる方法を提案し、計算機シミュレーションを実行した。 2.高分子をグラフトしたコロイド系のトポロジー的相転移ブロック共重合体からなる高分子ブラシを表面にグラフトした球状コロイド粒子の濃厚系において、従来知られていなかった紐状のトポロジーをもった秩序相が存在することを、分子シミュレーションによって明らかにし、相図を計算によって求めた。また、この紐状相がパーコレーション転移と関係していることを明らかにした。また、グラフト高分子鎖に対して静的な自己無撞着場理論を適用することで、上記の粒子シミュレーションにもちいた粒子間ポテンシャルが、現実的なものであることを証明した。
Improvement of Learning Surface by Carefully-designed Interaction between Control and Mechanical Systems

ISHIGURO Akio, KAWAKATSU Toshihiro

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: Nagoya University

2004 - 2005

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In the field of robotics, traditionally, a so-called "hardware first, software last" based design approach has been employed and thus the interplay between control and mechanical systems has not been investigated in depth to date. Recently, however, it has been widely accepted that the emergence of intelligence is strongly influenced by not only control systems but also embodiments, which is the physical properties of a robots' body. In light of these facts, this study intends to deal with the interdependency between control and mechanical systems, particularly from the viewpoint of learning. More specifically, the aim of this study is to clearly answer the following questions : (1) how should control and mechanical systems be coupled? ; and (2) what sort of interesting phenomena will emerge under such a well-balanced coupling. To this end, a decentralized control of a snake-like robot consisting of multiple body segments was mainly employed as a practical example. Despite its simplicity, the obtained results strongly suggest that there exist a best coupling between the control and body dynamics, which has never been clearly mentioned so far. This approach is totally different from the concept of the recent "learning theories" where people accept singularities in the learning surface and search for a high-functional and sophisticated algorithm. If we take advantage of such degrees of freedom in the body dynamics, we can modify the landscape of the learning surface so that it does not have a singularity. This allows us to expect that even a "cheap" algorithm can satisfy the requirements for the finite-time convergence and the robustness.
Study on Dynamics of Complex Fluids Competitive

System: Grant-in-Aid for Scientific Research

2000/04 - 2003/03
自己無撞着場理論を用いた高分子濃厚系における相分離の動的制御

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 特定領域研究

Institution: 東北大学

2002 - 2003

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・高分子の非平衡状態における鎖配位を計算する手法として開発された自己無撞着場理論を用いて、種々の流動場下におけるブラシの粘弾性特性の計算と、流体場とのカップリングを調べ、新手法の有効性を示した。・ブロック共重合体のラメラ相からジャイロイド構造への構造相転移に際して、ラメラ面が熱揺らぎで揺らぎ始める不安定化現象をGinzburg-Landauモデルに基づく安定性解析によって調べ、中性子散乱実験で得られた不安定モードが、理論的に解釈できることを見いだした。・高分子ブラシのグラフトしたコロイド粒子系の相挙動及び粘弾性挙動を解析するための準備研究として、グラフトした高分子ブラシをステップポテンシャルでモデル化した2次元剛体粒子系のモシテカルロシミュレーションを行い、高密の平衡状態において今まで報告されていなかった安定な紐状の粒子配位を見いだした。この系の3次元化および粘弾性特性の研究を実行するための準備として、粒子のクラスター分布や拡散係数などの平衡特性を解析し、パーコレーション現象との対応を明らかにした。
Reconstruction of the Reptation Theory Based on the Dual Slip-Link Model

DOI Masao, KAWAKATSU Toshihiro, MASUBUCHI Yuichi, TAKIMOTO Junichi, TANIGUCHI Takashi

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: Nagoya University

2001 - 2003

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We have proposed a new model, called the dual slip-link model, to describe the viscoelasticity of entangled polymers. It is a new extension of the classical reptation model. In the reptation model, the entanglement constraint is represented by a slip-link through which the polymer can pass. In the classical reptation model, the slip link confines a single polymer, and its position is fixed to the material. In the dual slip-link model, the slip-link confine a pair of chains, and its position is determined by the dynamics of the polymers. The dual slip-link model can take into account of the interaction between the entangled polymers, and can predict the dynamics of the polydisperse systems. We have implemented the dual slip-link model into a simulator. There are two versions for the simulator. In the first version, the slip-links are assumed to be fixed to the material: the interaction between the chains is taken into account only through the fact that the slip-link is destructed when one of the two chains constrained by the slip-link disengage the slip-link by reptation. In the second version, the position of the slip-links are determined by solving the equation of motion for the position of the slip-links. The first version is simpler and faster than the second version, but cannot take into account the fluctuation of the entanglement effect. For linear polymers, both version give nearly the same results, while the difference between the model become 'significant for branched polymers. Both programs are placed on the public domain at http://octa.jp.
Formation and Dynamics of Self-Organized Structures in Complex Fluids

KAWAKATSU Toshihiro

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for Scientific Research (C)

2000 - 2003

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In this research, we applied the self-consistent field (SCF) theory, which is a useful tool in theoretical predictions of the spatially inhomogeneous structures in dense polymer systems, to various practical problems. We also extended the self-consistent field theory to dynamical problems. We first checked the validity of the SCF theory by applying it to various problems in dense polymer systems. We studied micellar formation in tri-block copolymer solutions, Change in the surface tension by addition of block copolymers, interactions between polymer-grafted colloidal particles, and so on. We found that changes in the polymer conformation play important roles in interactions between colloidal particles and interfacial properties. Next, we tried to extend the SCF theory to dynamical problems. The simplest way of extending the SCF theory to dynamical problems is to use an assumption of the linear diffusion, i.e. a current of the segments is induced by the gradient of the chemical potential (Ficks law). Using this dynamical SCF theory, we studied a domain formation in thin polymer blend film on a solid surface, and complex domain formations induced by a competition between micro-and macro-phase separations in block copolymer blend. We observed similar phase separation dynamics and domain structures as in realistic systems. We also checked the validity of this dynamical model by comparing it with Rouse model. In a large deformation regime where the chain conformation is considerably deformed by external forces, the above dynamical SCF theory breaks down. In order to evaluate the degree of deformation of the chain conformation, we introduced non-isotropic bond-distribution functions. This new dynamical SCF theory is verified by studying a polymer brush system under shear deformation.
Dynamics of Polymers in Flow Fields Competitive

System: Grant-in-Aid for Scientific Research

2000/04 - 2002/03
高分子の粘弾性特性に対するミクロからのアプローチ

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 奨励研究(A)

Institution: 名古屋大学

1998 - 1999

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高分子の粘弾性特性を記述するにあたり、流動履歴の情報と応力を結びつける構成方程式の妥当なモデルを求めることが重要である。従来は、この構成方程式のモデルとして、Maxwellモデルやダンベル・モデルのような比較的単純なモデルから理論的に計算された構成方程式や、レプテイション理論などの粗視化された現象論モデルに基づいて計算された構成方程式が用いられてきた。本研究では、高分子鎖の経路積分表示と自己無撞着場法を用いた高分子濃厚系の記述法である「密度汎関数法」を動力学に拡張した「動的密度汎関数法」を用いて、高分子鎖濃厚系の粘弾性特性を、モデル構成方程式に頼ることなくシミュレーションする手法の開発を進めた。まず手始めとして、拡散過程が支配的な場合の高分子混合系の相分離過程のシミュレーションのための一般的なプログラムを開発した。次にこのプログラムの高速化のために、より粗視化の程度の高い手法であるGinzburg-Landau法との融合をはかるべく、同一の相分離系に対して動的密度汎関数法とGinzburg-Landau法の挙動を比較し、シミュレーションに必要な誤差の範囲で定量的な一致を確かめた。さらに、高分子濃厚系の粘弾性を取り扱うためのモデルとして、絡み合い点(スリップ・リンク)によってつながれた高分子セグメントの球状の濃度分布(セグメント・クラウド)という描像を用いたモデルを提案し、シミュレーションのためのプロトタイプ・プログラムを作成し、その平衡特性を計算した。これらのモデルをもちいれば、高分子のマクロな流動委特性を、鎖の枝分かれ構造やブロックの配置のようなミクロな情報から計算することが可能となると考えられ高分子粘弾性に対するミクロなアプローチとして非常に有力である。
HIERARCHICAL SIMULATION FOR THE DEVELOPMENT OF POLYMER MATERIALS

DOI Masao, ISHII Kasyuya, SUGIHARA Masaaki, KANEDA Yukio, TANIGUCHI Takashi, KAWAKATU Toshihiro

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: NAGOYA UNIVERSITY

1997 - 1999

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The purpose of this project is to construct a software system which relates the material properties of polymers with their molecular structures using modern theory of polymer dynamics. As the time scale involved in polymeric systems extends over many decades (from pico seconds to days), we proposed a new simulation scheme called "Hierarchical Simulation", and (1) developed new modeling for the mesosclae dynamics of polymers, (2) constructed simulation softwares based on those models, and (3) designed a system which combines these various softwares Outcomes of this research are as follows. (1) We constructed a new model which describes the rheological properties of linear and branched polymers. We also developed a computational scheme which predicts the structure of polymers in the phase separation and near the interfaces. (2) We developed three general-purpose simulation engines (2.1) rheological simulator, (2.2) interfacial simulator and (2.3) non-linear field solver. (3) We designed a general engine-user interface which can handle data browsing, data editing and data displaying for all simulators. As a result of these prototype system for hierarchical simulation, we now have a clear view for the future development.
複雑液体の物理-A03 計算機シミュレーションによる解析-

土井正男, 星野公三, 藤原毅夫, 樋渡保秋, 高野宏, 川勝年洋

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: 名古屋大学

1997 - 1997

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土井は昨年に引き続いて、動的平均場法の拡張を行った。稀簿溶液における高分子のミセル形式を扱うために、高分子セグメントの座標の時間変化を記述する新しい動的平均場法を開発した。また壁にグラフトされた高分子について、平均場の計算とモンテカルロ法の計算を比較し、xパラメータをどのように決めるべきかを検討した。川勝は、高分子界面活性剤(ブロック共重合体)を含む高分子混合系における相分離過程のモデルを提案し、界面活性剤の吸着した界面が相分離動力学に及ぼす影響を数値的に明らかにした。また、動的平均場理論に応力場を導入することで、非平衡な鎖配位をもつ高分子濃厚系の粘弾性効果を記述するモデルを提案した。高野は、ランダム媒質中の1本の高分子鎖の緩和、濃厚高分子系中の1本の高分子鎖の緩和をシミュレーションを用いて調べた。緩和現象に関してレプテーション的挙動が見えるのに必要なセグメント数が、重心拡散に関するそれより大きいことを示唆する結果を得た。樋渡は、水(氷)、セレニウム元素系等の複雑な系について、主として分子動力学シミュレーションの方法を用いて考察した。簡単なモデル系の過冷却液体やガラス状態についてもダイナミカルな問題を考察した。藤原は、Mauri-Galliの変分関数と局在基底関数を用いて第一原理分子動力学法におけるオーダーN法のアルゴリズムを提案した。局在基底関数に関しては窓関数の方法を用いる。星野は、第一原理分子動力学シミュレーションにより、(1)超臨界領域における流体セレンの半導体・金属転移の微視的機構を解明した、(2)液体Li-Na合金の相分離の微視的機構を解明した。また、大規模分子動力学シミュレーションにより、液体水銀の音速の密度依存性の起源を解明した。
高分子相分離系のメソスコピック構造と動力学

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 奨励研究(A)

Institution: 東京都立大学

1996 - 1996

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高分子混合系およびブロック共重合体を含む系のメソスケールでの相分離構造の形成過程と運動の動力学を研究するための手法としては、従来は平均場近似と粗視化の方法を用いた現象論的なモデルに立脚した解析が行われてきた。本研究では、この粗視化モデルと同様に平均場近似の範囲内ではあるが、高分子鎖の統計的な性質を、よりミクロなスケールで正確に計算することのできる「経路積分表示」を用いたモデル化を行った。具体的には、相分離の各瞬間における高分子セグメントの空間分布関数を外的拘束条件とみなし、局所平衡の条件を仮定して高分子鎖の配位の統計を経路積分表示し、この経路積分を用いてセグメント濃度分布関数の従うメソスケールの時間発展方程式(偏微分方程式)の係数をミクロに決定するという方法を用いて、メソスケールの発展方程式にミクロな情報を導入する方法を定式化した。さらに、このモデルの有効性は、計算機シミュレーションによって確かめられた。我々の方法を用いれば、従来の現象論のモデルに比べて、より少数のミクロなパラメタを用いて系の状態を第一原理的に計算する事が可能となり、高分子材料の構造予測などに応用が可能であると予想される。
ブロック共重合体のミクロ相分離構造のレオロジー

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 奨励研究(A)

Institution: 東京都立大学

1995 - 1995

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高分子からなる相分離系において、高分子鎖の空間的な広がりに起因して生じる静的および動的な長距離相互作用/相関の効果について、粗視化されたモデルを用いた記述を行い、そのシミュレーションを行った。長距離相互作用/相関効果が重要と考えられる代表的な現象として、ブロック共重合体メルトのミクロ相分離の動力学を例に選び、解析を行った。ブロック共重合体系では、ミクロ相分離に伴いブロック共重合体高分子鎖が引き延ばされることによって、組成揺らぎの間の長距離の静的な斥力相互作用と、高分子鎖のレプテイション運動によって生じるセグメント拡散における長距離の動的相関が生じることが理論的に示唆されている。本研究では、特に動的相関効果に着目した。鎖の伸びのないガウス鎖の状態を無摂動状態として選び、局所セグメント濃度分布を摂動パラメタと考え、動的相関を表す関数(運動係数)を局所セグメント濃度分布についての摂動展開の形で表すことにより、A-B型ブロック共重合体メルトの相分離についての時間発展方程式を得た。この発展方程式のシミュレーションから、相分離の進行と共に鎖の配位が変化し、それに伴って相分離が加速されることが示された。この結果は、ブロック共重合体メルトのミクロ相分離のレオロジーにおけるdi-block共重合体とtri-block共重合体の性質の違いにおける一因となると予想される。
コロイド・ガラス系の動力学

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 奨励研究(A)

Institution: 東京都立大学

1994 - 1994

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実験的に観測されているコロイド分散系の高密度凝縮状態におけるガラス相の安定要因を解明するため、湯川型ポテンシャルで相互作用する3次元粒子系のブラウン運動についての分子動力学シミュレーションを行った。初期に系を低密の液体状態に置き、急速に圧縮することによって不規則凝縮状態(ガラス状態)を生成した。この系を一定温度、一定密度に保ち、粒子配置における方向相関の時間変化を観測することにより、結晶核の生成までに要する誘導時間を種々の外的条件について調べ、ガラス状態の安定性における最も支配的な要因を探した。一連のシミュレーションの結果、粒子サイズの微小な多分散性がガラス状態における結晶核の生成を著しく遅らせ、わずか5〜8%程度の多分散性でも実験系で観測されている程度の長時間にわたる安定なガラス状態が実現できることが示された。さらに、実験から知られているコロイド・ガラスの相図(安定性ダイアグラム)を再現できることがわかった。さらにガラス状態における中間散乱関数(波数kを持つ密度揺らぎの時間相関関数)の緩和過程をしらべ、コロイド・ガラスの光散乱による実験データとほぼ対応する結果を得た。これらの結果は、従来単分散と考えられてきた実験に用いられたコロイド系が、実は多分散コロイドと考えねばならないことを示唆しており、理論構築のための重要な情報を与えることになる。
コロイド粒子系の不規則凝縮相におけるミクロ動力学

川勝年洋

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 奨励研究(A)

Institution: 九州大学

1992 - 1992
Pattern Formation and Turbulence in Electrohydrodynamic Instability

KAI Shoichi, KAWAKATSU Toshihiro

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: The Kyushu Institute of Technology

1990 - 1991

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The stability diagram of the normal roll pattern in electroconvection is nematic liquid crystals in experimentally determined in this study. The stable wave number bands of the normal rolls are determined for the frequency of applied voltage. We find that the mode destabilizing the normal rolls is of the zigzag type for low frequencies of the applied voltage and at higher frequencies mainly of the skewed varicose type. The change of the destabilizing mode of the normal rolls is closely related to the different transition scenarios to weak turbulence. We find at first time its three different routes. With increasing amplitude of the external voltage, at low frequencies the normal-rolls are followed by a zigzag like pattern and at higher frequencies they are followed by a novel vacillating defect-lattice. Both secondary patterns are therefore on a diffrent route to weak turbulence to which they bifurcate finally at higher voltages. This kind of pattern selection can be realized through defect dynamics, such as nucleation and annihilation of defects, for two dimensional case and by phase slip process for one dimensional system. In this study, in order to understand pattern dynamics, the phase slip process for periodic pattern-forming systems in investigated experimentally and theoretically. The general theoretical analysis of the phase slip process are supplimented by a computer simulation for one dimensional Ginzburg-Landau equation and compared with experimental results in the electrohydrodyanmic convection in one dimensional cells. The amount of phase shift during one phase slip process, the evolutions of a characteristic width of a phase slip core and of its amplitude experimentally obtained agree well with both analytical and simulated ones. In electrohydorodynamic convection, on the other hand, turbulence 1-turbulence 2(DSM1-DSM2)transition, which is nontrivial phenomena, is observed when high voltage (typically 4-5 times of onset voltage V_c for convection)is applied. This transition is local, occurs via production of nuclei of new phase and shows dynamic hysteresis which means hysteresis due to the characteristic relaxation time scale of the system. As a frezuency f is increased the width of hysteresis is shrinked and disappears at certain frequency f_c. The transient properties during turbulence 1-turbulence 2 transition are also studied and the temporal development of distribution probability is obtained. while far from transition threshold the distribution shows always single peak, close to the threshold it shows double peaks in the late stage of transient process, i. e. a transient multimodality. This indicates that the instability of T1-T2 transition is due to the symmetry breaking by intrinsic randomness of a system, i. e. DSM1-turbulence.
Statistical Mechanics of Interfaces

KAWASAKI Kyozi, KAWAKATSU Toshihiro, SEKIMOTO Ken, NAGAI Tatsuzo

Offer Organization: Japan Society for the Promotion of Science

System: Grants-in-Aid for Scientific Research

Category: Grant-in-Aid for General Scientific Research (C)

Institution: Kyushu University

1989 - 1991

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The main purpose of the traditional statistical physics has been, in general, to explain macroscopic phenomena in terms of features of microscopic elements of the material, like atoms and molecules. However, in these processes, one often faces a difficulty particularly in the problems where long-range interactions play an essential role, e. g. phase transition phenomena. In such problems, it is often useful to adopt coarse-grained descriptions. A typical example is the critical phenomena. In this study, we start from a macroscopic continuum model, called Ginzburg-Landau model, which can be derived. by coarse-graining microscopic models. Such a continuum description is sometimes inadequate and should be supplemented by taking account of localized singularities, like interfaces. We studied the following problems, in each of which interafces play a crucial role ; 1) Statistical Mechanics of Cellular Pattern Formation 2) Phase Coexistence of Gels 3) Pattern Formation in Sytems Containing Surfactants These problems are important not only in the field of fundamental physics but also in the field of applied sciences. Some of our researches has exploratory aspects, which should be refined in the future studies.
樹枝状結晶における先端分岐成長の形態研究

太田正之輔, 川勝年洋, 本庄春雄

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 一般研究(C)

Institution: 九州大学

1990 - 1990

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樹枝状結晶の成長形態は非線形・非平衡現象に基づくものであり、特に拡散場の造る形態形成の代表例である。塩化アンモニウム水溶液から成長する4回対称性をもつ樹枝状結晶は過飽和度の増加に伴い、先端成長方向が〈100〉から〈110〉へ転移し、その遷移領域で複雑な先端分岐成長形態を示す。この領域における実験により以下の結果が得られた。1.成長速度は過飽和度に依らずほぼ一定である。2.先端分岐領域が放射状にひろがること。3.結晶先端の包絡線が安定に保たれること。4.規則的先端分岐成長中に不規則先端分岐が混入する場合があり、これがこの領域における先端分岐成長の本質であるのか、実験セル内の濃度の空間的な非一様性によるものか現在のところ不明であり今後の課題である。拡散場のみの性質で造られるパタ-ンはDiffusionーlimited aggregation(略称DLA)と呼ばれ、自己相似性を有するフラクタル構造を造る。拡散場で成長する樹枝状結晶とDLAの関係を研究するため界面カイネティックスを導入した計算機シミュレ-ションから得られた結果を以下に記す。1.界面カイネティックスが抑制されると〈10〉成長、逆の場合は〈11〉成長の側枝形成樹枝状パタ-ンとなる。2.〈10〉側枝形成成長と〈11〉側枝形成成長の中間領域で先端分岐成長形態が現れる。3.異方性の遷移領域で両異方性の混在パタ-ンとなる。4.更にノイズが加わることに依って、不規則先端分岐成長の等方的DLA形態となる。5.側枝形成、先端分岐、DLAの成長形態は実験結果と酷似している。先端分岐成長の実験及び計算機シミュレ-ションによって非線形・非平衡系に於ける形態形成のフラクタル性やカオス性を研究することがこの分野の今後の興味ある課題である。

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Academic Activities 1

The 7th International Soft Matter Conference (ISMC 2023)

2023/09/04 - 2023/09/08

Activity type: Competition, symposium, etc.

Other 4

ポスト「京」萌芽的課題「基礎科学の挑戦－複合・マルチスケール問題を通した極限への挑戦」サブ課題B「相転移と流動」

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ナノバブル形成と微小成分添加効果、雲の形成過程、機械流動中での気泡・液滴生成過程、マグマの流動、高分子・コロイド流動、バイオ流動など自然界に幅広く観測される多相共存構造を持つ混相流を対象として、マルチスケールの流動シミュレーション用プラットフォーム(MSSP)を開発し、超並列大規模分子動力学シミュレーションとの比較検討および上記の具体例への適用による方法論の検証を行うことで、未知の複雑流動に対してそのマクロな特性をミクロなモデルを用いて予測する手法の開発を目指す。
超先端材料超高速開発基盤技術プロジェクト

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ソフトマテリアルの統合シミュレーションソフトOCTAを拡張するとともに、フィラー粒子が分散した高分子系のシミュレーション技術を開発する。
マクロ物性研究

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高分子材料等のマクロ物性のシミュレーションコード開発と物性の解明
プラスチック材料の強度及び熱特性に関する理論的研究

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フィラー粒子を含むプラスチック材料の弾性率や熱膨張係数を、分子シミュレーションおよび自己無撞着場理論を用いて予測する。