-
Butterfly Patterns for Stretched Inhomogeneous Gel Networks using Large-Scale Molecular Dynamics Simulations
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Macromolecules 58 (10) 5368-5376 2025/05/12
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.5c00207
-
Topological constraint of ring fillers on the lamellar forming ABA-type tri-block copolymers using coarse-grained molecular dynamics simulations
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Polymer 326 128334-(12 pages) 2025/03/28
DOI:
10.1016/j.polymer.2025.128334
-
Single-chain slip-spring simulation for entangled non-concatenated ring polymer melts
International-journal
Peer-reviewed
Yoshinori Tomiyoshi, Takahiro Murashima, Toshihiro Kawakatsu
Macromolecules 58 (4) 1804-1816 2025/02/03
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.4c02237
-
Critical Importance of Both Bond Breakage and Network Heterogeneity in Hysteresis Loop on Stress-Strain Curves and Scattering Patterns
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Macromolecules 57 (23) 10903-10911 2024/11/21
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.4c01996
-
Density Functional Theory for Cyclic Block Copolymer Melts
International-journal
Peer-reviewed
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
-
Molecular Dynamics Simulation of Cumulative Microscopic Damage in a Thermosetting Polymer under Cyclic Loading
International-journal
Peer-reviewed
Naoki Yamada, Mayu Morita, Maruri Takamura, Takahiro Murashima, Yutaka Oya, Jun Koyanagi
Polymers (MDPI) 16 (13) 1813-(13 pages) 2024/06/26
Publisher:
MDPI AG
DOI:
10.3390/polym16131813
eISSN:
2073-4360
-
Coarse-grained molecular dynamics model of conformationally asymmetric AB diblock copolymers forming lamellar structures
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Computational Materials Science 243 113105-(6 pages) 2024/05/23
Publisher:
Elsevier
DOI:
10.1016/j.commatsci.2024.113105
-
Coarse-grained molecular dynamics model of AB diblock copolymers composed of blocks with different Lennard–Jones parameters forming lamellar structures
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Polymer 304 127132-(9 pages) 2024/05/04
Publisher:
Elsevier
DOI:
10.1016/j.polymer.2024.127132
-
Model based on the River-meander-curve for Simulating the Adhesion of Crosslinked Polymers to Rough Surface
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Tomohiro Miyata, Hiroshi Jinnai
Macromolecules 57 (8) 3862-3872 2024/03/07
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.3c02660
-
Fine-scale structural stability of carbon dioxide hydrate pellets under coarse-scale deformation using multi-scale coupled FEM-MD simulations
International-journal
International-coauthorship
Peer-reviewed
Yuto Lewis Terashima, Paul Edward Brumby, Takahiro Murashima, Varvara Kouznetsova, Mayu Muramatsu
Materials Today Communications 38 108322-(12 pages) 2024/02/08
Publisher:
Elsevier
DOI:
10.1016/j.mtcomm.2024.108322
-
A multiscale FEM-MD coupling method for investigation into atomistic-scale deformation mechanisms of nanocrystalline metals under continuum-scale deformation
International-journal
International-coauthorship
Peer-reviewed
Yusuke Yamazaki, Takahiro Murashima, Varvara Kouznetsova, Mayu Muramatsu
Physica Scripta 99 (2) 025408-(19 pages) 2024/01/19
Publisher:
IOP Publishing
DOI:
10.1088/1402-4896/ad1c1e
-
Toughening of a Polymer Network by the Addition of a Small Amount of Large-Sized Multicyclic Chains
International-journal
Peer-reviewed
Hironori Marubayashi, Minami Ebe, Atsushi Imasaki, Kaiyu Fujiwara, Naruhiko Mashita, Katsumi Hagita, Takahiro Murashima, Sunao Mori, Takuya Isono, Toshifumi Satoh, Hiroshi Jinnai
Polymer 292 126607-(8 pages) 2024/01/19
Publisher:
Elsevier
-
Single-chain slip-spring simulation for entangled ring/linear polymer blends at low ring fractions
International-journal
Peer-reviewed
Yoshinori Tomiyoshi, Takahiro Murashima, Toshihiro Kawakatsu
Macromolecules 56 (23) 9896-9904 2023/11/25
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.3c01454
-
All-atom molecular dynamics simulations of poly(ethylene glycol) networks in water for evaluating negative energetic elasticity
International-journal
Peer-reviewed
Katsumi Hagita, Sota Nagahara, Takahiro Murashima, Takamasa Sakai, Naoyuki Sakumichi
Macromolecules 56 (20) 8095-8105 2023/10/12
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.3c01121
-
Miscibility and exchange chemical potential of ring polymers in symmetric ring-ring blends
International-journal
Peer-reviewed
Takahiro Ohkuma, Katsumi Hagita, Takahiro Murashima, Tetsuo Deguchi
Soft Matter 19 3818-3827 2023/05/16
Publisher:
Royal Society of Chemistry (RSC)
DOI:
10.1039/D3SM00108C
-
Practical Compatibility between Self-Consistent Field Theory and Dissipative Particle Dynamics
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Polymer 269 125733-(10 pages) 2023/03/13
Publisher:
Elsevier
DOI:
10.1016/j.polymer.2023.125733
-
Molecular Dynamics of Topological Barriers on the Crystallization Behavior of Ring Polyethylene Melts with Trefoil Knots
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Naoki Sakata, Koya Shimokawa, Tetsuo Deguchi, Erica Uehara, Susumu Fujiwara
Macromolecules 56 (1) 15-27 2023/01/10
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.2c01843
ISSN:
0024-9297
eISSN:
1520-5835
-
Topological transition in multicyclic chains with structural symmetry inducing stress-overshoot phenomena in multicyclic/linear blends under biaxial elongational flow
International-journal
Peer-reviewed
Takahiro Murashima, Katsumi Hagita, Toshihiro Kawakatsu
Macromolecules 55 (21) 9358-9372 2022/10/28
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.2c01579
10.48550/arXiv.2208.00166
-
Lamellar Domain Spacing of Symmetric Linear, Ring, and Four-Arm-Star Block Copolymer Blends
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Toshihiro Kawakatsu
Macromolecules 55 (18) 8021-8031 2022/08/15
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.2c00500
ISSN:
0024-9297
eISSN:
1520-5835
-
Ring-filling effect on stress-strain curves of randomly end-linked tetra-arm prepolymers
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Takahiro Ohkuma, Hiroshi Jinnai
Macromolecules 55 (15) 6547-6561 2022/07/18
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.2c00451
ISSN:
0024-9297
eISSN:
1520-5835
-
Trapping probabilities of multiple rings in end-linked gels
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Minami Ebe, Takuya Isono, Toshifumi Satoh
Polymer 245 124683-(11 pages) 2022/04/06
Publisher:
Elsevier
DOI:
10.1016/j.polymer.2022.124683
ISSN:
0032-3861
-
Demonstration of reinforcement in polymer composite with rings penetrating the diamond-lattice network
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Hiroshi Jinnai
Polymer 243 124637-(14 pages) 2022/03/14
Publisher:
Elsevier
DOI:
10.1016/j.polymer.2022.124637
ISSN:
0032-3861
-
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-(7 pages) 2022/02/15
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2021.111104
ISSN:
0927-0256
-
Efficient Compressed Database of Equilibrated Configurations of Ring-Linear Polymer Blends for Molecular Dynamics Simulations
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Masao Ogino, Manabu Omiya, Kenji Ono, Tetsuo Deguchi, Hiroshi Jinnai, Toshihiro Kawakatsu
Scientific Data 9 (1) 40-(9 pages) 2022/02/08
Publisher:
Springer Nature
DOI:
10.1038/s41597-022-01138-3
eISSN:
2052-4463
-
Molecular Dynamics Studies of Entropic Elasticity of Condensed Lattice Networks Connected with Uniform Functionality f=4
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Soft Matter 18 (4) 894-904 2022/01/28
Publisher:
Royal Society of Chemistry (RSC)
DOI:
10.1039/D1SM01641E
ISSN:
1744-683X
eISSN:
1744-6848
-
Mathematical Classification and Rheological Properties of Ring Catenane Structures
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Naoki Sakata
Macromolecules 55 (1) 166-177 2022/01/11
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.1c01705
ISSN:
0024-9297
eISSN:
1520-5835
-
Molecular Dynamics Simulations of Ring Shapes on a Ring Fraction in Ring–Linear Polymer Blends
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Macromolecules 54 (17) 8043-8051 2021/08/03
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.1c00656
ISSN:
0024-9297
eISSN:
1520-5835
-
Viscosity Overshoot in Biaxial Elongational Flow: Coarse-Grained Molecular Dynamics Simulation of Ring-Linear Polymer Mixtures
International-journal
Peer-reviewed
Takahiro Murashima, Katsumi Hagita, Toshihiro Kawakatsu
Macromolecules 54 (15) 7210-7225 2021/07/20
Publisher:
American Chemical Society (ACS)
DOI:
10.1021/acs.macromol.1c00267
ISSN:
0024-9297
eISSN:
1520-5835
-
Multi-Ring Configurations and Penetration of Linear Chains into Rings on Bonded Ring Systems and Polycatenanes in Linear Chain Matrices
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Polymer 223 123705-(15 pages) 2021/03/31
Publisher:
Elsevier
DOI:
10.1016/j.polymer.2021.123705
ISSN:
0032-3861
-
Effect of Chain-Penetration on Ring Shape for Mixtures of Rings and Linear Polymers
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Polymer 218 123493-(11 pages) 2021/02/05
Publisher:
Elsevier
DOI:
10.1016/j.polymer.2021.123493
ISSN:
0032-3861
-
Multi-Interval Trajectory Recording for Efficient Analyses of Time Correlations
International-journal
Peer-reviewed
Katsumi Hagita, Takahiro Murashima
Journal of the Physical Society of Japan 89 (2) 024002-(5 pages) 2020/02
Publisher:
Physical Society of Japan
DOI:
10.7566/JPSJ.89.024002
-
Multiscale Modeling of Plasticity in Amorphous & Polymeric Materials
International-journal
International-coauthorship
Shaofan Li, Shingo Urata, Takahiro Murashima
IACM Expressions (Bulletin for The International Association for Computational Mechanics) 46 10-13 2020/01/29
-
Coupling Finite Element Method with Large Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) for Hierarchical Multiscale Simulations
Peer-reviewed
Takahiro Murashima, Shingo Urata, Shaofan Li
European Physical Journal B 92 211-(8 pages) 2019/09
DOI:
10.1140/epjb/e2019-100105-9
-
On-the-fly Computation of Intermediate Scattering Funciton for Molecular Dynamics Simulation: Application to Polymer Melt
Takahiro Murashima
ISPAC 2019 Book of Abstracts 35-(1 page) 2019/06
-
Elongational viscosity of weakly entangled polymer melt via coarse-grained molecular dynamics simulation
Peer-reviewed
Takahiro Murashima, Katsumi Hagita, Toshihiro Kawakatsu
Journal of the Society of Rheology, Japan (Nihon Reoroji Gakkaishi) 46 (5) 207-220 2018/12
DOI:
10.1678/rheology.46.207
-
Thinning Approximation for Calculating Two-Dimensional Scattering Patterns in Dissipative Particle Dynamics Simulations under Shear Flow
Peer-reviewed
Katsumi Hagita, Takahiro Murashima, Nobuyuki Iwaoka
Polymers (MDPI) 10 (11) 1224-(15 pages) 2018/11
DOI:
10.3390/polym10111224
-
Coarse-Grained Molecular Dynamics Simulation of Elongational Flow of Polymer Melts
Takahiro Murashima
ECS Meeting Abstracts MA2018-03 164 2018
Publisher:
The Electrochemical Society
DOI:
10.1149/ma2018-03/3/164
eISSN:
2151-2043
-
Inter node parallelization of multiscale fluid particle simulation towards large-scale polymeric fluid simulation
Peer-reviewed
Takahiro Murashima
Microsystem Technologies 24 (1) 765-769 2018/01/01
Publisher:
Springer Verlag
DOI:
10.1007/s00542-017-3413-x
ISSN:
0946-7076
-
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
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86 (12) 124803-(9 pages) 2017/12
DOI:
10.7566/JPSJ.86.124803
ISSN:
0031-9015
-
Analysis of deposition modeling by particle method simulation
Peer-reviewed
Masato Makino, Daisuke Fukuzawa, Takahiro Murashima, Masaru Kawakami, Hidemitsu Furukawa
MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS 23 (5) 1177-1181 2017/05
DOI:
10.1007/s00542-016-3047-4
ISSN:
0946-7076
eISSN:
1432-1858
-
Simulation of 3D food printing extrusion and deposition
Peer-reviewed
Masato Makino, Daisuke Fukuzawa, Takahiro Murashima, Hidemitsu Furukawa
Proceedings of SPIE - The International Society for Optical Engineering 10167 2017
Publisher:
SPIE
DOI:
10.1117/12.2261409
ISSN:
1996-756X 0277-786X
-
Multiscale Simulation Performed on ISSP Super Computer: Analysis of Entangled Polymer Melt Flow
Invited
Takahiro Murashima
Activity Report 2015 / Supercomputer Center, Institute for Solid State Physics, The University of Tokyo - 35-43 2016/08
-
Hybrid simulation research on formation mechanism of tungsten nanostructure induced by helium plasma irradiation
Peer-reviewed
Atsushi M. Ito, Arimichi Takayama, Yasuhiro Oda, Tomoyuki Tamura, Ryo Kobayashi, Tatsunori Hattori, Shuji Ogata, Noriyasu Ohno, Shin Kajita, Miyuki Yajima, Yasuyuki Noiri, Yoshihide Yoshimoto, Seiki Saito, Shuichi Takamura, Takahiro Murashima, Mitsutaka Miyamoto, Hiroaki Nakamura
JOURNAL OF NUCLEAR MATERIALS 463 109-115 2015/08
DOI:
10.1016/j.jnucmat.2015.01.018
ISSN:
0022-3115
eISSN:
1873-4820
-
Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation
Peer-reviewed
A. M. Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata, N. Ohno, S. Kajita, M. Yajima, Y. Noiri, Y. Yoshimoto, S. Saito, S. Takamura, T. Murashima, M. Miyamoto, H. Nakamura
NUCLEAR FUSION 55 (7) 073013 2015/07
DOI:
10.1088/0029-5515/55/7/073013
ISSN:
0029-5515
eISSN:
1741-4326
-
Multiscale Fluid Dynamics Simulation Applied to Micellar Solution
Takahiro Murashima, Masatoshi Toda, Toshihiro Kawakatsu
NIC Series (Proceedings of the HYBRID2013 workshop of the John von Neumann Institute for Computing) 46 187-192 2013/04
-
Multiscale simulation for soft matter: Application to wormlike micellar solution
Peer-reviewed
Takahiro Murashima, Masatoshi Toda, Toshihiro Kawakatsu
AIP Conference Proceedings 1518 436-439 2013
DOI:
10.1063/1.4794610
ISSN:
0094-243X
-
Multiscale modeling for polymeric flow: Particle-fluid bridging scale methods
Peer-reviewed
Takahiro Murashima, Shugo Yasuda, Takashi Taniguchi, Ryoichi Yamamoto
Journal of the Physical Society of Japan 82 (1) 012001 2013/01
DOI:
10.7566/JPSJ.82.012001
ISSN:
0031-9015 1347-4073
-
Flow-History-Dependent Behavior of Entangled Polymer Melt Flow Analyzed by Multiscale Simulation
Peer-reviewed
Takahiro Murashima, Takashi Taniguchi
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 (A) SA013 2012/09
DOI:
10.1143/JPSJS.81SA.SA013
ISSN:
0031-9015
-
Two-dimensional lattice liquid models
Peer-reviewed
Yukitaka Ishimoto, Takahiro Murashima, Takashi Taniguchi, Ryoichi Yamamoto
PHYSICAL REVIEW E 86 (3) 031124 2012/09
DOI:
10.1103/PhysRevE.86.031124
ISSN:
1539-3755
-
Multiscale simulation of history-dependent flow in entangled polymer melts
Peer-reviewed
T. Murashima, T. Taniguchi
EPL 96 (1) 18002 2011/10
DOI:
10.1209/0295-5075/96/18002
ISSN:
0295-5075
eISSN:
1286-4854
-
Application of Polymeric Fluid Particle Simulation to Entangled Polymer Melts
Takahiro Murashima, Takashi Taniguchi
Proceedings of 5th International Conference on Multiscale Materials Modeling, MMM 2010 627-630 2010/10
-
Multiscale Simulation on Lagrangian Fluid Dynamics for Polymer melts
International-journal
T. Murashima, T. Taniguchi
Proceedings of International Soft Matter Conference 2010 637-(1 page) 2010/07
Publisher:
Editorial Universidad de Granada ISBN 978-84-338-5131-4
-
Multiscale Lagrangian Fluid Dynamics Simulation for Polymeric Fluid
Peer-reviewed
Takahiro Murashima, Takashi Taniguchi
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS 48 (8) 886-893 2010/04
DOI:
10.1002/polb.21975
ISSN:
0887-6266
-
Multiscale Simulation for Rheological Phenomena
Takahiro Murashima, Takashi Taniguchi
Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008 680-683 2008
-
Cancellation of oscillatory behaviours in incommensurate region
Peer-reviewed
Takahiro Murashima, Kiyohide Nomura
JOURNAL OF PHYSICS-CONDENSED MATTER 19 (14) 145210 2007/04
DOI:
10.1088/0953-8984/19/14/145210
ISSN:
0953-8984
-
Incommensurability and edge states in the one-dimensional S=1 bilinear-biquadratic model
Peer-reviewed
Takahiro Murashima, Kiyohide Nomura
PHYSICAL REVIEW B 73 (21) 214431 2006/06
DOI:
10.1103/PhysRevB.73.214431
ISSN:
1098-0121
-
Phase diagram of S=1 XXZ chain with next-nearest-neighbor interaction
Peer-reviewed
T Murashima, K Hijii, K Nomura, T Tonegawa
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 (5) 1544-1551 2005/05
DOI:
10.1143/JPSJ.74.1544
ISSN:
0031-9015
-
Incommensurability and Edge State in Quantum Spin Chain
Peer-reviewed
K. Nomura, T. Murashima
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 (S) 42-46 2005
DOI:
10.1143/JPSJS.74S.42
ISSN:
0031-9015