OCTA Publications

Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination

Takashi Honda, Yoshinori Tomiyoshi, Toshihiro Kawakatsu

Computer Physics Communications, 305, 2024, 109330

DOI: 10.1016/j.cpc.2024.109330

Engine : SUSHI

Ionic Coulomb blockade controls the current in a short narrow carbon nanotube

William A. T. Gibby, Miraslau L. Barabash, Igor A. Khovanov, Dmitry G. Luchinsky, Peter V. E. McClintock

J. Chem. Phys. 161, 054710 (2024)

DOI: 10.1063/5.0210853

Engine : J-OCTA

Cosmetics That Adapt One to Harsh Environments: Utilizing Heat to Enhance the UV Protective Effect

Kouichi Nagai, Kei Ujimoto, Ryoya Ito, Marianne Ayaka Mizutani, Norinobu Yoshikawa, Yohei Takahashi, Tsuyoshi Ohtani, Katsuyuki Hasegawa, Yuki Horiuchi, Satoshi Yamaki, Yuko Nagare, Hideki Shimizu

Journal of Society of Cosmetic Chemists of Japan, 2024, Volume 58, Issue 1, Pages 10-22

DOI: 10.5107/sccj.58.10

Engine : J-OCTA

Reaction-induced morphological transitions in a blend of diblock copolymers and reactive monomers: dissipative particle dynamics simulation

Yoshinori Tomiyoshi, Yutaka Oya, Toshihiro Kawakatsu, Tomonaga Okabe

Soft Matter, 2024, 20, 124-132

DOI: 10.1039/D3SM00959A

Engine : COGNAC / SUSHI

Mechanisms underlying the stability and instability of concentrated oil-in-water emulsions: Effect of the chemical structure of amphiphilic polymers

Kojiro Suzuki, Yusei Kobayashi, Takashi Yamazaki, Toshikazu Tsuji, Noriyoshi Arai

Journal of Molecular Liquids, Volume 394, 2024,123749

DOI: 10.1016/j.molliq.2023.123749

Engine : J-OCTA

Poly(vinyl alcohol)-modified poly(methyl methacrylate) particles for solid-stabilized oil-in-water emulsions

Takashi Yamazaki, Kojiro Suzuki, Yusei Kobayashi, Noriyoshi Arai, Toshikazu Tsuji

Colloids and Surfaces A: Physicochemical and Engineering Aspects, Volume 697, 2024, 134433

DOI: 10.1016/j.colsurfa.2024.134433

Engine : J-OCTA

Complex network analysis of completely extended chains in rubber elasticity

Yoshifumi Amamoto, Ken Kojio, Atsushi Takahara, Yuichi Masubuchi, Mariko Ito, Takaaki Ohnishi

ChemRxiv. 2024

DOI: 10.26434/chemrxiv-2024-sb2q2

Engine : COGNAC / J-OCTA

DPD simulation to reproduce lipid membrane microdomains based on fragment molecular orbital calculations

Hideo Doi, Yushi Osada, Yusuke Tachino, Koji Okuwaki, Melvin Wei Shern Goh, Ryugo Tero, Yuji Mochizuki

Appl. Phys. Express 17 055001

DOI: 10.35848/1882-0786/ad4955

Engine : COGNAC / J-OCTA

A mathematical model of thermoplastic elastomers for analysing the topology of microstructures and mechanical properties during elongation

Hiroki Kodama, Hiroshi Morita, Motoko Kotani

Proc. R. Soc. A.48020230389

DOI: 10.1098/rspa.2023.0389

Engine : COGNAC

Coarse-Grained Simulations on Polyethylene Crystal Network Formation and Microstructure Analysis

Mohammed Althaf Hussain, Takashi Yamamoto, Syed Farooq Adil, Shigeru Yao

Polymers 2024, 16(7), 1007

DOI: 10.3390/polym16071007

Engine : COGNAC

Geometry-based cross-linking algorithm for modeling resorcinol resins through united-atom molecular dynamics simulations

Atsushi Izumi, Yasuyuki Shudo, Katsumi Hagita, Yoshimitsu Itoh

Polymer, 293, 2, (2024), 126677

DOI: 10.1016/j.polymer.2024.126677

Engine : COGNAC / J-OCTA

Preparation and Characterization of High-Density Polyethylene with Alternating Lamellar Stems Using Molecular Dynamics Simulations

Mohammed Althaf Hussain, Takashi Yamamoto, Syed Farooq Adil, Shigeru Yao

Polymers 2024, 16(2), 304

DOI: 10.3390/polym16020304

Engine : COGNAC

Construction of full-atomistic polymer amorphous structures using reverse-mapping from Kremer–Grest models

Hiroya Nitta, Taku Ozawa, Kenji Yasuoka

J. Chem. Phys. 159, 194903 (2023)

DOI: 10.1063/5.0159722

Engine : COGNAC / J-OCTA

Selective resonant diffusion of ions in an artificial analogue of a biological filter

William A. T. Gibby, Miraslau L. Barabash, Dmitry G. Luchinsky, Peter V. E. McClintock, Igor A. Khovanov

2023 International Conference on Noise and Fluctuations (ICNF), Grenoble, France, 2023, pp.1-4

DOI: 10.1109/ICNF57520.2023.10472750

Engine : J-OCTA

Machine Learning for Analyzing Phase-Separated Structures of ABA Triblock Copolymer Blends in Elongation

Ryohei Hosoya, Hiroshi Morita

Macromolecules 2023, 56, 17, 6692–6703

DOI: 10.1021/acs.macromol.3c00532

Engine : COGNAC / SUSHI

Stress Chain Analysis for an ABA Triblock Copolymer Using Principal Component Scores

Ryohei Hosoya, Hiroshi Morita

J. Phys. Chem. B 2023, 127, 31, 7035–7047

DOI: 10.1021/acs.jpcb.3c01846

Engine : COGNAC / SUSHI

Dissipative particle dynamics simulation for peptoid nanosheet with non-empirical parameter set

Yusuke Tachino, Koji Okuwaki, Hideo Doi, Kazuki Akisawa, Yuji Mochizuki

Jpn. J. Appl. Phys. 62 090902

DOI: 10.35848/1347-4065/acf356

Engine : COGNAC / J-OCTA

Computational design of nucleating agents of poly (methyl methacrylate) microcellular foams: “savanna-like” surface structures and their effects on foaming

Takumi Ono, Satoshi Yoda, Daichi Kageyama, Yoko Saito, Yoshihiro Takebayashi, Tetsuro Tai, Minoru Otani

Polymer Engineering & Science, 63, 12, (4019-4031), (2023)

DOI: 10.1002/pen.26502

Engine : COGNAC / J-OCTA

Tensile Stress Reduction and Strain Concentration of Epoxy Resin Caused by Heterogeneity: A Multiscale Approach Combining Molecular Dynamics Simulation and Finite Element Method

Naoyuki Shoji, Takefumi Yamashita

J. Phys. Chem. B 2023, 127, 42, 9066–9073

DOI: 10.1021/acs.jpcb.3c04391

Engine : COGNAC

Molecular dynamics and experimental studies of the dependence of strain rate on the indentation deformation of polycarbonate

Ayumu Morimura, Hiroki Nishino, Miki Kajihara, Yusuke Nakao, Akio Yonezu

J Polym Res 30, 254 (2023)

DOI: 10.1007/s10965-023-03616-7

Engine : COGNAC / J-OCTA

Coarse-Grained Molecular Dynamics Simulations of Dynamic Bond Elastomers Using Interbead Potentials for Entropy- and Enthalpy-Driven Mechanisms in Their Dynamics and Mechanical Properties

Yusuke Yasuda, Shintaro Nakagawa, Hirohiko Houjou, Naoko Yoshie, Hiroshi Morita

Macromolecules 2023, 56, 18, 7432–7444

DOI: 10.1021/acs.macromol.3c00221

Engine : COGNAC

Development of reverse mapping system bridging dissipative particle dynamics and fragment molecular orbital calculation

Koji Okuwaki, Hideo Doi, Taku Ozawa, Yuji Mochizuki

Jpn. J. Appl. Phys. 62 110902

DOI: 110.35848/1347-4065/ad0601

Engine : COGNAC / J-OCTA

Degradation of fiber/matrix interface under various environmental and loading conditions: Insights from molecular simulations

Ruidong Wu, Xing Quan Wang, Danyang Zhao, Jia-ao Hou, Chao Wu, Denvid Lau, Lik-ho Tam

Construction and Building Materials, Volume 390, 2023, 131101

DOI: 10.1016/j.conbuildmat.2023.131101

Engine : J-OCTA

Chain-Increment Approach to the Mutual Miscibility of Polymers with All-Atom Molecular Simulation

Kazuo Yamada, Nobuyuki Matubayasi

Macromolecules 2023, 56, 11, 3857–3872

DOI: 10.1021/acs.macromol.2c02304

Engine : J-OCTA

Dynamics of microswimmers near a liquid-liquid interface with viscosity difference

Chao Feng, John J. Molina, Matthew S. Turner, Ryoichi Yamamoto

Phys. Fluids 35, 051903, (2023)

DOI: 10.1063/5.0148008

Engine : KAPSEL

Impact of molecular architectures on mesogen reorientation relaxation and post-relaxation stress of liquid crystal elastomers under electric fields

Haruka Yasuoka, Kazuaki Z. Takahashi, Takeshi Aoyagi

Polymer, 271, 125789, (2023)

DOI: 10.1016/j.polymer.2023.125789

Engine : COGNAC

Practical compatibility between self-consistent field theory and dissipative particle dynamics

Katsumi Hagita, Takahiro Murashima

Polymer, 269, 13, 125733, (2023)

DOI: 10.1016/j.polymer.2023.125733

Engine : COGNAC / SUSHI

Primitive chain network simulations of the nonlinear rheology of polystyrene melts: Friction reduction and fluctuation-dissipation theorem

J. Non-Newtonian Fluid Mechanics, 315, 105019, (2023)

Yuichi Masubuchi, Giovanni Ianniruberto, Manfred Wagner, Giuseppe Marrucci

DOI: 10.1016/j.jnnfm.2023.105019

Engine : NAPLES

Undershoots in shear startup of entangled linear polymer blends

Daniele Parisi, Emmanouil Vereroudakis, Yuichi Masubuchi, Giovanni Ianniruberto, Giuseppe Marrucci, Dimitris Vlassopoulos

J.Non-Newtonian Fluid Mechanics, 315, 105028, (2023)

DOI: 10.1016/j.jnnfm.2023.105028

Engine : NAPLES

Reproduction of super-multicomponent self-assembled structures and their functionality using coarse-grained molecular simulation - the example of cleansing agents

Takahiro Yokoyama, Hideki Miwake, Masugu Hamaguchi,Ryoichi Nakatake, Noriyoshi Arai

Mol. Syst. Des. Eng., ,8, pp538-550, (2023)

DOI: 10.1039/D2ME00188H

Engine : J-OCTA

Revealing the hidden dynamics of confined water in acrylate polymers: Insights from hydrogen-bond lifetime analysis

Kokoro Shikata, Takuma Kikutsuji, Nobuhiro Yasoshima, Kang Kim, Nobuyuki Matubayasi

J. Chem. Phys. 158, 174901, (2023)

DOI: 10.1063/5.0148753

Engine : J-OCTA

Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models

Ryo Kawada, Katsuhiro Endo, Kenji Yasuoka, Hidekazu Kojima, Nobuyuki Matubayasi

J. Chem. Inf. Model., 63, pp76-86, (2023)

DOI: 10.1021/acs.jcim.2c01316

Engine : J-OCTA / AI

The Progress of the Interfacial Diffusion between Virgin and Aged Asphalt Based on Molecular Dynamics Simulation: A Review

Yanhai Yang, Chonghua Wang, Ye Yang

Processes 2023, 11(10), 3024

DOI: 10.3390/pr11103024

Engine : J-OCTA

Dynamics of microswimmers near a soft penetrable interface

Chao Feng, John J. Molina, Matthew S. Turner, Ryoichi Yamamoto

Phys. Rev. Research, 4, 043202, (2022)

DOI: 10.1103/PhysRevResearch.4.043202

Engine : KAPSEL

Hydrodynamically Controlled Self-Organization in Mixtures of Active and Passive Colloids

Ian P. Madden, Linlin Wang, Juliane Simmchen, Erik Luijten

Small, 18, 2107023, (2022)

DOI: 10.1002/smll.202107023

Engine : KAPSEL

Chiral selecting crystallization of helical polymers: A molecular dynamics simulation for the POM-like bare helix

Takashi Yamamoto

J.Chem.Phys., 157, 014901, (2022)

DOI: 10.1063/5.0097112

Engine : COGNAC

Quantitative Evaluation of Connectivity in Elastomers for Describing Rubber Elasticity Based on Network Theory

Yoshifumi Amamoto

Nihon Reoroji Gakkaishi, 50, pp95-98, (2022)

DOI: 10.1678/rheology.50.95

Engine : COGNAC / J-OCTA

Material Property Recovery by Controlling the Melt Memory Effects on Recrystallization and on Crystal Deformation: An Approach by the Molecular Dynamics Simulation for Polyethylene

Takashi Yamamoto, Mohammed Althaf Hussain, and Shigeru Yao

Polymers, 14, 3082, (2022)

DOI: 10.3390/polym14153082

Engine : COGNAC

Coarse-Grained Molecular Dynamics Study of Styrene-block-isoprene-block-styrene Thermoplastic Elastomer Blends

Ryohei Hosoya, Makiko Ito, Ken Nakajima, and Hiroshi Morita

ACS Appl. Polym. Mater., 4, 4, pp2401-2413, (2022)

DOI: 10.1021/acsapm.1c01684

Engine : COGNAC / SUSHI

Coarse-grained molecular dynamics study of elasticity of block copolymers with cubic symmetrical morphology

Takeshi Aoyagi

Polymer, 243, 124624, (2022)

DOI: 10.1016/j.polymer.2022.124624

Engine : COGNAC / SUSHI

Analysis of nanocellular foaming with nucleating agents based on coarse-grained molecular dynamics simulations

Hiroshi Morita, Satoshi Yoda, Takumi Ono, Kouhei Tazumi, Takeshi Furuya

Polymer, 254, 125059, (2022)

DOI: 10.1016/j.polymer.2022.125059

Engine : COGNAC

Effect of conversion on epoxy resin properties: Combined molecular dynamics simulation and experimental study

Naoyuki Shoji, Kohei Sasaki, Akira Uedono, Yuichi Taniguchi, Keiichi Hayashi, Norie Matsubara, Tetsuya Kobayashi, Takefumi Yamashita

Polymer, 254, 125041, (2022)

DOI: 10.1016/j.polymer.2022.125041

Engine : COGNAC

Regression analysis for predicting the elasticity of liquid crystal elastomers

Hideo Doi, Kazuaki Z. Takahashi, Haruka Yasuoka, Jun-ichi Fukuda, Takeshi Aoyagi

Scientific Reports, 12, 19788, (2022)

DOI: 10.1038/s41598-022-23897-0

Engine : COGNAC

Optimization of the elastic properties of block copolymers using coarse-grained simulation and an artificial neural network

Takeshi Aoyagi

Computational Materials Science, 207, 111286, (2022)

DOI: 10.1016/j.commatsci.2022.111286

Engine : COGNAC

Local order parameter that distinguishes crystalline and amorphous portions in polymer crystal lamellae

F. Takano, M. Hiratsuka, T. Aoyagi, K. Z. Takahashi

J. Chem. Phys. 157, 174507, (2022)

DOI: 10.1063/5.0121669

Engine : COGNAC

Trade-off effect between the stress and strain range in the soft elasticity of liquid crystalline elastomers

Haruka Yasuoka, Kazuaki Z. Takahashi, Takeshi Aoyagi

Polymer Journal, 54, pp1017-1027, (2022)

DOI: 10.1038/s41428-022-00641-z

Engine : COGNAC

Lamellar Domain Spacing of Symmetric Linear, Ring, and Four-Arm-Star Block Copolymer Blends

Katsumi Hagita, Takahiro Murashima, Toshihiro Kawakatsu

Macromolecules, 55, pp8021-8031, (2022)

DOI: 10.1021/acs.macromol.2c00500

Engine : COGNAC / SUSHI

Analysis of Elongational Viscosity of Entangled Poly (Propylene Carbonate) Melts by Primitive Chain Network Simulations

Yuichi Masubuchi, Lixin Yang, Takashi Uneyama, Yuya Doi

Polymers, 14, 741, (2022)

DOI: 10.3390/polym14040741

Engine : NAPLES

Predictive Mesoscale Simulation of Flow-Induced Blend Morphology, Interfacial Relaxation, and Linear Viscoelasticity of Polymer-Elastomer Blends

Ling-Hua Huang, Chi-Chung Hua

Macromolecules, 55, pp7353-7367, (2022)

DOI: 10.1021/acs.macromol.2c00898

Engine : NAPLES

Fracture behaviors of double network elastomers with dynamic non-covalent linkages: A molecular dynamics study

Ruiqi Zhao, Yu Wang, Xinglong Gong

Polymer, 244, 124670, (2022)

DOI: 10.1016/j.polymer.2022.124670

Engine : J-OCTA

Search strategy for rare microstructure to optimize material properties of filled rubber using machine learning based simulation

Takashi Kojima, Takashi Washio, Satoshi Hara, Masataka Koishi

Computational Materials Science, 204, 111207, (2022)

DOI: 10.1016/j.commatsci.2022.111207

Engine : J-OCTA / AI

Adsorption Energetics of Amino Acid Analogs on Polymer/Water Interfaces Studied by All-Atom Molecular Dynamics Simulation and a Theory of Solutions

Nobuhiro Yasoshima, Tatsuya Ishiyama, Nobuyuki Matubayasi

J. Phys. Chem. B, 126, pp4389-4400, (2022)

DOI: 10.1021/acs.jpcb.2c01297

Engine : J-OCTA

Nanoceramic Composites for Nuclear Radiation Attenuation

Shankar A. Hallad, Nagaraj R. Banapurmath,Avinash S. Bhadrakali, Arun Y. Patil, Anand M. Hunashyal, Sharanabasava V. Ganachari, T. M. Yunus Khan, Irfan Anjum Badruddin, Manzoore Elahi M.Soudagar, Sarfaraz Kamangar

Materials, 15, 262, (2022)

DOI: 10.3390/ma15010262

Engine : J-OCTA

All-atom molecular simulation study of cellulose acetate: amorphous structure and the dissolution of small molecule

Ryota Matsuba, Hiroyuki Kubota, Nobuyuki Matubayasi

Cellulose, 29, pp5463-5478, (2022)

DOI: 10.1007/s10570-022-04616-4

Engine : J-OCTA

Fracture behavior of an alumina/epoxy resin interface and effect of water molecules by using molecular dynamics with reaction force field (ReaxFF)

Hiroki Nishino, Kohei Kanamori, Kazuma Okada, Akio Yonezu

Int. J. Adhesion and Adhesives, 119, 103251, (2022)

DOI: 10.1016/j.ijadhadh.2022.103251

Engine : J-OCTA

Coarse-Grained Modeling of Ion-Containing Polymers

Zhenghao Zhu, Xubo Luo, Stephen J. Paddison

Chem. Rev., 122, pp10710-10745, (2022)

DOI: 10.1021/acs.chemrev.1c00913

Engine : J-OCTA

Virtual experimentations by deep learning on tangible materials

Takashi Honda, Shun Muroga, Hideaki Nakajima, Taiyo Shimizu, Kazufumi Kobashi, Hiroshi Morita, Toshiya Okazaki, Kenji Hata

Communications Materials, 2, 88, (2021)

DOI: 10.1038/s43246-021-00195-2

Engine : AI

Numerical Methods in Studies of Liquid Crystal Elastomers

Madjid Soltani, Kaamran Raahemifar, Arman Nokhosteen, Farshad Moradi Kashkooli, Elham L. Zoudani

Polymers, 13, 1650, (2021)

DOI: 10.3390/polym13101650

Engine : COGNAC

Formation of the various types of daisy chains constructed by modified cyclodextrin depending on the bond angle of the modified part linked to α-cyclodextrin

Naohito Urakami, Haruna Shimomasu, Junya Matsumura

Molecular Simulation, 47, pp1455-1464, (2021)

DOI: 10.1080/08927022.2021.1983179

Engine : COGNAC

Rheological Properties of Lamellae-Forming Diblock Copolymers

Yoshinori Tomiyoshi, Toshihiro Kawakatsu, Takeshi Aoyagi, Hiroshi Morita

Adv. Theory Simul., 4, 2100097, (2021)

DOI: 10.1002/adts.202100097

Engine : COGNAC

Deep learning-based estimation of Flory-Huggins parameter of A-B block copolymers from cross-sectional images of phase-separated structures

Katsumi Hagita, Takeshi Aoyagi, Yuto Abe, Shinya Genda, Takashi Honda

Scientific Reports, 11, 12322, (2021)

DOI: 10.1038/s41598-021-91761-8

Engine : SUSHI / AI

Tuning phase separation morphology in blend thin films using well-defined linear (multi)block copolymers

Hong Zhang, Glenn K.K. Clothier, Thiago R. Guimaraes, Rio Kita, Per B. Zetterlund, Yosuke Okamura

Polymer, 240, 124466, (2022)

DOI: 10.1016/j.polymer.2021.124466

Engine : SUSHI / J-OCTA

Thermal Insulating Property of Silsesquioxane Hybrid Film Induced by Intramolecular Void Spaces

Takashi Hamada, Yuki Nakanishi, Kenta Okada, Satoru Tsukada, Akira Uedono, Joji Ohshita

ACS Appl. Polym. Mater., 3, pp3383-3391, (2021)

DOI: 10.1021/acsapm.1c00344

Engine : J-OCTA

Molecular dynamics simulation of weak bonds in carbon fiber reinforced plastic adhesive joints

Reimon Terazawa, Atsushi Tamura, Kensuke Kageyama, Takenobu Sakai

Advanced Composite Materials, 30, pp544-558, (2021)

DOI: 10.1080/09243046.2021.1893887

Engine : J-OCTA

Water Dissolved in a Variety of Polymers Studied by Molecular Dynamics Simulation and a Theory of Solutions

Hidekazu Kojima, Kazuya Handa, Kazuo Yamada, and Nobuyuki Matubayasi

J. Phys. Chem. B, 125, pp9357-9371, (2021)

DOI: 10.1021/acs.jpcb.1c04818

Engine : J-OCTA

Analysis on Microstructure-Property Linkages of Filled Rubber Using Machine Learning and Molecular Dynamics Simulations

Takashi Kojima, Takashi Washio, Satoshi Hara, Masataka Koishi, Naoya Amino

Polymers, 13, 2683, (2021)

DOI: 10.3390/polym13162683

Engine : J-OCTA / AI

On the cyclic fatigue of adhesively bonded aluminium: Experiments and molecular dynamics simulation

Kohei Kanamori, Yoshikatsu Kimoto, Shuto Toriumi, Akio Yonezu

Int.J.Adhesion and Adhesives, 107, 102848, (2021)

DOI: 10.1016/j.ijadhadh.2021.102848

Engine : COGNAC / J-OCTA

Coarse-grained molecular dynamics simulation to reproduce phase-separated structures in graft-type polymer electrolyte membranes

Shun Okushima, Shin Hasegawa, Toshihiro Kawakatsu, Yasunari Maekawa

Polymer, 230, 124036, (2021)

DOI: 10.1016/j.polymer.2021.124036

Engine : COGNAC / J-OCTA

Molecular architecture dependence of mesogen rotation during uniaxial elongation of liquid crystal elastomers

Haruka Yasuoka, Kazuaki Z. Takahashi, Jun-ichi Fukuda, Takeshi Aoyagi

Polymer, 229, 123970, (2021)

DOI: 10.1016/j.polymer.2021.123970

Engine : COGNAC

Evaluation of the Slip-Spring Dissipative Particle Dynamics Code for Practical Studies in Polymer Rheology Apr.15, 2021

Takeshi Aoyagi

Nihon Reoroji Gakkaishi, 49(2), 79-86, (2021)

DOI: 10.1678/rheology.49.79

Engine : COGNAC

High-Throughput Prediction of Stress-Strain Curves of Thermoplastic Elastomer Model Block Copolymers by Combining Hierarchical Simulation and Deep Learning Feb.5, 2021

Takeshi Aoyagi

MRS Advances, 6, 32-36, (2021)

DOI: 10.1557/s43580-021-00008-1

Engine : COGNAC / SUSHI / AI

Deep learning model for predicting phase diagrams of block copolymers Feb.15, 2021

Takeshi Aoyagi

Computational Materials Science, 188, 110224, (2021)

DOI: 10.1016/j.commatsci.2020.110224

Engine : SUSHI / AI

Smoothed profile method for direct numerical simulations of hydrodynamically interacting particles

Ryoichi Yamamoto, John J. Molina, Yasuya Nakayama

Soft Matter, 17, pp4226-4253, (2021)

DOI: 10.1039/D0SM02210A

Engine : KAPSEL

Multiscale Modeling and Simulation of Polymer Blends in Injection Molding: A Review

Lin Deng, Suo Fan, Yun Zhang, Zhigao Huang, Huamin Zhou, Shaofei Jiang, Jiquan Li

Polymers, 13, 3783, (2021)

DOI: 10.3390/polym13213783

Engine : NAPLES

The dissociation of physical interaction clusters under tensile deformation of hybrid double network gels Sep.3, 2020

Ruiqi Zhao, Yu Wang, Sheng Wang, Chunyu Zhao, Xinglong Gong

Polymer, 210, 122995, (2020)

DOI: 10.1016/j.polymer.2020.122995

Engine : COGNAC / J-OCTA

Analysis of Three-Phase Structure of Epoxy Resin/CNT/Graphene by Molecular Simulation Aug.13, 2020

Shun Naito,Jun Koyanagi, Takuji Komukai and Toshikazu Uno

Polymers, 12(8), 1821, (2020)

DOI: 10.3390/polym12081821

Engine : COGNAC / J-OCTA

Self‐Degradable Lipid‐Like Materials Based on “Hydrolysis accelerated by the intra‐Particle Enrichment of Reactant (HyPER)” for Messenger RNA Delivery Aug.19, 2020

Hiroki Tanaka, Tatsunari Takahashi,Manami Konishi, Nae Takata, Masaki Gomi, Daiki Shirane, Ryo Miyama, Shinya Hagiwara, Yuki Yamasaki, Yu Sakurai, Keisuke Ueda, Kenjirou Higashi, Kunikazu Moribe, Eiji Shinsho, Ruka Nishida, Kaori Fukuzawa, Etsuo Yonemochi, Koji Okuwaki, Yuji Mochizuki, Yuta Nakai, Kota Tange, Hiroki Yoshioka, Shinya Tamagawa, Hidetaka Akita

Advanced Functional Materials, 30(34), 1910575, (2020)

DOI: 10.1002/adfm.201910575

Engine : COGNAC / J-OCTA

Analysis of Nanomechanical Properties of Polyethylene Using Molecular Dynamics Simulation Jul.23, 2020

Ryohei Hosoya, Hiroshi Morita, and Ken Nakajima

Macromolecules, 53(15), pp6163–6172, (2020)

DOI: 10.1021/acs.macromol.0c01009

Engine : COGNAC

Welding dynamics in an atomistic model of an amorphous polymer blend with polymer–polymer interface Jun.3, 2020

Dmitry G. Luchinsky, Halyna Hafiychuk, Vasyl Hafiychuk, Kenta Chaki, Hiroya Nitta, Taku Ozawa, Kevin R. Wheeler, Tracie J. Prater, Peter V. E. McClintock

Journal of Polymer Science, 58(15), pp2051-2061, (2020)

DOI: 10.1002/pol.20190253

Engine : J-OCTA

Feasibility study of epoxy coated Poly Lactic Acid as a sustainable replacement for river sand May.4, 2020

Arun Y. Patil, N. R. Banapurmath, U. S. Shivangi

Journal of Cleaner Production, 267, 121750, (2020)

DOI: 10.1016/j.jclepro.2020.121750

Engine : J-OCTA

Molecular Dynamics Simulation and Theoretical Model of Elasticity in Slide-Ring Gels Apr.23, 2020

Yusuke Yasuda, Takeyoshi Masumoto, Koichi Mayumi, Masatoshi Toda, Hideaki Yokoyama, Hiroshi Morita, and Kohzo Ito

ACS Macro Lett, 9(9), pp1280–1285, (2020)

DOI: 10.1021/acsmacrolett.0c00194

Engine : COGNAC

Interface of Hydrated Perfluorosulfonic Acid Electrolyte with a Platinum Catalyst: Structural Analyses with Dissipative Particle Dynamics Simulations Apr.2, 2020

Nobuo Tajima, Jun Nara, Taku Ozawa, Hiroya Nitta, Kosuke Ohata and Takahisa Ohno

J. Electrochem. Soc. 167, 064513, (2020)

DOI: 10.1149/1945-7111/ab7a0c

Engine : COGNAC / J-OCTA

Mechanisms of Mechanical Behavior of Filled Rubber by Coarse-Grained Molecular Dynamics Simulations Apr, 2020

Takashi Kojima, Masataka Koishi

Tire Science and Technology, 48(2), pp78-106, (2020)

DOI: 10.2346/tire.20.160117

Engine : COGNAC / J-OCTA

Multiscale simulations of coupled composition-stress-morphology of binary polymer blend Mar.10, 2020

Ling-Hua Huanga, Ching-Hung Wua, Chi-Chung Hua, Tien-JungHuang

Polymer, 193, 122366, (2020)

DOI: 10.1016/j.polymer.2020.122366

Engine : NAPLES / J-OCTA

A biointerface effect on the self-assembly of ribonucleic acids: a possible mechanism of RNA polymerisation in the self-replication cycle Feb.18, 2020

Noriyoshi Arai, Yusei Kobayashi and Kenji Yasuoka

Nanoscale, 12, pp6691-6698, (2020)

DOI: 10.1039/C9NR09537C

Engine : J-OCTA

Chain-Increment Method for Free-Energy Computation of a Polymer with All-Atom Molecular Simulations Jan.30, 2020

Kazuo Yamada and Nobuyuki Matubayasi

Macromolecules, 53(3), pp775–788, (2020)

DOI: 10.1021/acs.macromol.9b01952

Engine : J-OCTA

Influence of the interfacial interaction strength on the viscoelasticity of hard–soft block copolymer based nanocomposites: a molecular dynamics simulation study Jan.27, 2020

Ruiqi Zhao, Yu Wang and Xinglong Gong

Phys. Chem. Chem. Phys., 22, pp3897-3905, (2020)

DOI: 10.1039/C9CP06314E

Engine : COGNAC / J-OCTA

Fiber-Reinforced Nanocomposites: Fundamentals and Applications : Chap.22 Limpet teeth-based polymer nanocomposite: a novel alternative biomaterial for denture base application Mar.13, 2020

Arun Y. Patil, N. R. Banapurmath, B. B. Kotturshettar, K. Lekha, M. Roseline

Micro and Nano Technologies, pp477-523, (2020)

DOI: 10.1016/B978-0-12-819904-6.00022-0

Engine : J-OCTA

Effects of the homopolymer molecular weight on a diblock copolymer in a 3D spherical confinement Feb.14, 2019

Dung Q. Ly, Charalampos Makatsoris

BMC Chemistry, 13, Article number 24, (2019)

DOI: 10.1186/s13065-019-0541-7

Engine : SUSHI

Molecular Dynamics Simulation of Stretch-Induced Crystallization in Polyethylene: Emergence of Fiber Structure and Molecular Network Apr.23, 2019

Takashi Yamamoto

Macromolecules, 52(4), pp1695–1706, (2019)

DOI: 10.1021/acs.macromol.8b02569

Engine : COGNAC

Interface of Hydrated Perfluorosulfonic Acid Electrolyte and Platinum Catalyst: Construction of a Dissipative Particle Dynamics Simulation Model Apr.23, 2019

Nobuo Tajima, Jun Nara, Takahiro Yamasaki, Taku Ozawa, Hiroya Nitta, Kosuke Ohata and Takahisa Ohno

J.Electrochem.Soc., 166, B3156, (2019)

DOI: 10.1149/2.0201909jes

Engine : COGNAC / J-OCTA

Influence of molecular chain behavior on mechanical properties of poly-L-lactic acid by molecular dynamics method May.28, 2019

Kensuke Hata, Masato Sakaguchi, Ryuta Kitamura, Satoshi Kobayashi and Shinji Ogihara

Advanced Composite Materials, 28(6), pp577-589, (2019)

DOI: 10.1080/09243046.2019.1618783

Engine : COGNAC / J-OCTA

On the surface hydrophilization of a blended polysulfone membrane: atomic force microscopy measurement and molecular dynamics simulation Jul.9, 2019

Kazunori Miyamoto, Daiki Ikeshima, Takumi Furutani, Hang Xiao, Akio Yonezu and Xi Chen

Surf.Topogr.:Metrol.Prop., 7, 035003, (2019)

DOI: 10.1088/2051-672X/ab2e4f

Engine : COGNAC / J-OCTA

Molecular deformation mechanism of polycarbonate during nano-indentation: Molecular dynamics simulation and experimentation Apr.23, 2019

Daiki Ikeshim, Kazunori Miyamoto, Akio Yonezu

Polymer, 173(31), pp80-87, (2019)

DOI: 10.1016/j.polymer.2019.04.029

Engine : COGNAC / J-OCTA

Nanovoids in uniaxially elongated polymer network filled with polydisperse nanoparticles via coarse-grained molecular dynamics simulation and two-dimensional scattering patterns Apr.23, 2019

Katsumi Hagita

Polymer, 174(12), pp218-233, (2019)

DOI: 10.1016/j.polymer.2019.04.040

Engine : COGNAC

Effects of polymer/filler interactions on glass transition temperatures of filler-filled polymer nanocomposites Jun.24, 2019

Katsumi Hagita, Hiroshi Morita

Polymer, 178(12), 121615, (2019)

DOI: 10.1016/j.polymer.2019.121615

Engine : COGNAC

Coupling finite element method with large scale atomic/molecular massively parallel simulator (LAMMPS) for hierarchical multiscale simulations Sep.16, 2019

Takahiro Murashima, Shingo Urata and Shaofan Li

The European Physical Journal B, 92, Article number 211, (2019)

DOI: 10.1140/epjb/e2019-100105-9

Engine : COGNAC

Deformation modeling of polyamide 6 and the effect of water content using molecular dynamics simulation May.29, 2019

Daiki Ikeshima, Fumika Nishimori and Akio Yonezu

Journal of Polymer Research, 26, Article number 151, (2019)

DOI: 10.1007/s10965-019-1815-4

Engine : COGNAC / J-OCTA

Estimation of biaxial tensile and compression behavior of polypropylene using molecular dynamics simulation Jun.1, 2018

Ryuta Kitamura,Tomoya Kageyama,Jun Koyanagi and Shinji Ogihara

Advanced Composite Materials, 28(2), pp135-146, (2019)

DOI: 10.1080/09243046.2018.1469372

Engine : COGNAC / J-OCTA

Effect of diameter distribution on two-dimensional scattering patterns of a rubber model filled with carbon black and silica NPs Nov.19, 2018

Katsumi Hagita

Polymer,160(3),pp65-72,(2019)

DOI: 10.1016/j.polymer.2018.11.027

Engine : COGNAC

Model Development and Analysis of the Mechanical Properties of a Polyimide Using Coarse-grained Molecular Dynamics Simulation Dec.10, 2018

Tomohiro SEKO, Masatoshi TODA, Hiroshi MORITA

Journal of the Imaging Society of Japan, 57(6), pp706-712, (2018)

DOI: 10.11370/isj.57.706

Engine : COGNAC / J-OCTA

Development of Coarse-Grained Liquid-Crystal Polymer Model with Efficient Electrostatic Interaction: Toward Molecular Dynamics Simulations of Electroactive Materials Jan.6, 2018

Kenji Tagashira, Kazuaki Z. Takahashi, Jun-ichi Fukuda and Takeshi Aoyagi

Materials, 11(1), 83, (2018)

DOI: 10.3390/ma11010083

Engine : COGNAC

Diffusion Behavior of Methanol Molecules Confined in Cross-Linked Phenolic Resins Studied Using Neutron Scattering and Molecular Dynamics SimulationsAug.10, 2018

Yasuyuki Shudo, Atsushi Izumi, Katsumi Hagita, Takeshi Yamada, Kaoru Shibata, and Mitsuhiro Shibayama

Macromolecules 2018, 51, 16, 6334–6343

DOI: 10.1021/acs.macromol.8b00535

Engine : J-OCTA

Dissipative particle dynamics simulation of the relaxation behaviour of a triblock copolymer supramolecular networkNov.27, 2017

Kohei Wakimoto, Hiroshi Sasaki, Noriyoshi Arai

Molecular Simulation,44(7),pp534-539,(2018)

DOI: 10.1080/08927022.2017.1403027

Engine : COGNAC / J-OCTA

Influence of Filler Dispersion on Mechanical Behavior with Large-ScaleCoarse-Grained Molecular Dynamics SimulationMar. 18, 2019

T. Kojima, M. Koishi

TECHNISCHE MECHANIK,38, 1, (2018), 41–54

DOI: 10.24352/UB.OVGU-2018-005

Engine : COGNAC / J-OCTA

Rubber elasticity of realizable ideal networksDec. 5, 2018

Masatoshi Toda and Hiroshi Morita

AIP Advances 8, 125005 (2018)

DOI: 10.1063/1.5061686

Engine : COGNAC

Elongational Viscosity of Weakly Entangled Polymer Melt via Coarse-Grained Molecular Dynamics SimulationDec. 14, 2018

Takahiro Murashima, Katsumi Hagita, Toshihiro Kawakatsu

Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan),46(5),pp207-220,(2018)

DOI: 10.1678/rheology.46.207

Engine : COGNAC

The decoupling electrical and thermal conductivity of fullerene/polyaniline hybrids reinforced polymer compositesNov. 5, 2018

Xiuyan Chen, Tomohiro Yokozeki, Michihiro Yamamoto, Haopeng Wang, Lixin Wu , Jun Koyanagi, Qingfu Sun

Composites Science and Technology V.144 p.160-168

DOI: 10.1016/j.compscitech.2017.03.030

Engine : COGNAC / J-OCTA

Development and Application of FMO Calculation - DPD Simulation Conbination SchemeNov. 1, 2018

Koji OKUWAKI, Hideo DOI, Yuji MOCHIZUKI, Taku OZAWA, Kenji YASUOKA, Kaori FUKUZAWA

JCCJ., 2018 Volume 17 Issue 3 Pages 144-146

DOI: 10.2477/jccj.2018-0020

Engine : COGNAC / J-OCTA

Self-assembly of peptide amphiphiles by vapor pressure osmometry and dissipative particle dynamicsNov. 1, 2018

Taiga Seki, Noriyoshi Arai, Donguk Suh, Taku Ozawa, Tomoko Shimada, Kenji Yasuoka and Atsushi Hotta

RSC Adv., 2018, 8, 26461-26468

DOI: 10.1039/C8RA04692A

Engine : COGNAC / J-OCTA

On Computational Model of Nafion Membrane with Molecular Dynamic MethodNov. 1, 2018

Isamu Riku, Keisuke Kawanishi, Ryoma Oka, Koji Mimura

Key Engineering Materials, Vol. 775, pp. 536-541, 2018

DOI: 10.4028/www.scientific.net/KEM.775.536

Engine : COGNAC

Two-dimensional scattering patterns of polymers in elongated polymer networks and compositesNov. 1, 2018

Katsumi Hagita

Polymer,Volume 147, 4 July 2018, Pages 247-259

DOI: 10.1016/j.polymer.2018.06.016

Engine : COGNAC

A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactionsNov. 1, 2018

Doi Hideo, Okuwaki Koji, Naito Takamitsu, Saitou Sona, Mochizuki Yuji

CBIJ. 2018 Vol. 18 Pages 70-85

DOI: 10.1273/cbij.18.70

Engine : COGNAC

Theoretical analyses on water cluster structures in polymer electrolyte membrane by using dissipative particle dynamics simulations with fragment molecular orbital based effective parametersNov. 1, 2018

Koji Okuwaki, Yuji Mochizuki, Hideo Doi, Shutaro Kawada, Taku Ozawa and Kenji Yasuoka

RSC Adv., 2018, 8, 34582-34595

DOI: 10.1039/C8RA07428C

Engine : COGNAC / J-OCTA

Dissipative Particle Dynamics Simulation for Self-Assembly of Symmetric Bolaamphiphilic Molecules in SolutionNov. 1, 2018

Susumu FUJIWARA, Yoshiki IIDA, Takehide TSUTSUI, Tomoko MIZUGUCHI, Masato HASHIMOTO, Yuichi TAMURA, Hiroaki NAKAMURA

PFR. 2018 Vol.13 Pages 3401095

DOI: 10.1585/pfr.13.3401095

Engine : COGNAC

Formation Mechanism of Lipid Membrane and Vesicle Using Small Angle X-ray Scattering and Dissipative Particle Dynamics (DPD) MethodNov. 1, 2018

Eiji SHINSHO, Koji OKUWAKI, Hideo DOI, Yuji MOCHIZUKI, Takayuki FURUISHI, Kaori FUKUZAWA, Etsuo YONEMOCHI

JCCJ 2018-0012

DOI: 10.2477/jccj.2018-0012

Engine : COGNAC / J-OCTA

Water permeation in polymeric membranes: Mechanism and synthetic strategy for water-inhibiting functional polymersNov. 1, 2018

Yusuke Araki,Yusei Kobayashi, Touru Kawaguchi, Takashi Kaneko, Noriyoshi Arai

JMS. Vol. 564, 15 October 2018, Pages 184-192

DOI: 10.1016/j.memsci.2018.07.009

Engine : J-OCTA

An automated framework to evaluate effective interactionparameters for dissipative particle dynamics simulations basedon the fragment molecular orbital (FMO) methodNov. 1, 2018

Koji OKUWAKI, Hideo DOI, Yuji MOCHIZUKI

JCCJ 2018 Volume 17 Issue 2 Pages 102-109

DOI: 10.2477/jccj.2017-0048

Engine : J-OCTA

First-Principles Analysis on Adsorption and Bonding of 3-Aminopropyltrimethoxysilane on Silica SubstrateNov. 1, 2018

Kenta OKADA, Hajime KIMIZUKA, Shigenobu OGATA

JSMS 2018 Volume 67 Issue 2 Pages 229-234

DOI: 10.2472/jsms.67.229

Engine : J-OCTA

Molecular Dynamic Simulation of Carbon Nanotube Reinforced Nanocomposites: The Effect of Interface Interaction on Mechanical PropertiesMay. 28, 2018

Ommeaymen Sheikhnejad, Takahiko Nakamoto, Anna Kalteis, Ali Rajabtabar and Zoltan Major

MOJ Polymer Science, 2018.2(1):00038

DOI: 10.15406/mojps.2018.02.00038

Engine : COGNAC / J-OCTA

Molecular Dynamics Simulations of Cross‐Linked Phenolic Resins Using a United‐Atom ModelMay. 28, 2018

Atsushi Izumi,Yasuyuki Shudo,Katsumi Hagita,Mitsuhiro Shibayama

Macromolecular Theory and Simulations,27(4),1700103,(2018)

DOI: 10.1002/mats.201700103

Engine : COGNAC / J-OCTA

Molecular mechanism of vesicle division induced by coupling between lipid geometry and membrane curvatures May. 28, 2018

Naohito Urakami, Takehiro Jimbo, Yuka Sakumab and Masayuki Imai

Soft Matter, 2018. 14. 3018

DOI: 10.1039/C7SM02188G

Engine : COGNAC

Stress Undershoot of Entangled Polymers under Fast Startup Shear Flows in Primitive Chain Network SimulationsMay. 28, 2018

Yuichi Masubuchi, Giovanni Ianniruberto, Giuseppe Marrucci

Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan)/Volume 46 (2018) Issue 1 Pages 23-28

DOI: 10.1678/rheology.46.23

Engine : NAPLES

Molecular origins of elastoplastic behavior of polycarbonate under tension: A coarse-grained molecular dynamics approachMay. 28, 2018

Daiki Ikeshima, Akio Yonezu, and Ling Liu

Computational Materials Science Volume 145, 1 April 2018, Pages 306-319

DOI: 10.1016/j.commatsci.2018.01.001

Engine : COGNAC / J-OCTA

Fragment Molecular Orbital Based Parametrization Procedure for Mesoscopic Structure Prediction of Polymeric MaterialsMay. 28, 2018

Koji Okuwaki, Yuji Mochizuki, Hideo Doi and Taku Ozawa

J. Phys. Chem. B, 2018, 122 (1), pp 338-347

DOI: 10.1021/acs.jpcb.7b08461

Engine : COGNAC / J-OCTA

Latest Functions of J-OCTA, Multiscale Simulation Software for Soft MaterialsDec. 10, 2018

Hideyo YOSHIDA, Kosuke OHATA, Tatsuya MAEDA, Hiroya NITTA, Kenta CHAKI, Yoshitsugu KAKEMOTO, Maiko WATANABE, Taku OZAWA

Journal of the Imaging Society of Japan, 57(6), pp700-705

DOI: 10.11370/isj.57.700

Engine : J-OCTA

Coarse-Grained Molecular Dynamics Simulation for Nano Indentation Behaviour of Polymer MaterialsNov. 1, 2018

Daiki IKESHIMA, Kazunori MIYAMOTO, Akio YONEZU

jsmekanto.2018.24

DOI: 10.1299/jsmekanto.2018.24.OS0720

Engine : COGNAC / J-OCTA

A Trial of MD Simulation on Interface Control of HAp/PLANov. 1, 2018

Junichiro OKE, Kazushige ONO, Mototsugu TANAKA, Isao KIMPARA

The Proceedings of Conference of Hokuriku-Shinetsu Branch 2018.55

DOI: 10.1299/jsmehs.2018.55.K013

Engine : J-OCTA

Development and Performance Evaluation of a Simulation Code for Dissipative Particle Dynamics (DPD) CAMUSMay. 28, 2018

Hideo DOI, Sona SAITOU, Koji OKUWAKI, Takamitsu NAITO, Yuji MOCHIZUKI

Journal of Computer Chemistry, Japan, Volume 16 (2017) Issue 5 Pages 126-128

DOI: 10.2477/jccj.2017-0050

Engine : COGNAC

Structure-mechanical property relationships in crosslinked phenolic resin investigated by molecular dynamics simulationMay. 28, 2018

Yasuyuki Shudo, Atsushi Izumi, Katsumi Hagita, Toshio Nakao, Mitsuhiro Shibayama

Polymer Volume 116, 5 May 2017, Pages 506-514

DOI: 10.1016/j.polymer.2017.02.037

Engine : J-OCTA

Extensional Step Strain Rate Experiments on an Entangled Polymer SolutionMay. 28, 2018

P. K. Bhattacharjee, D. A. Nguyen, Y. Masubuchi , and T. Sridhar

Macromolecules, 2017, 50 (1), pp 386-395

DOI: 10.1021/acs.macromol.6b00823

Engine : NAPLES

Primitive chain network simulations of probe rheology May. 28, 2018

Yuichi Masubuchi, Yoshifumi Amamoto, Ankita Pandeya and Cheng-Yang Liu

Soft Matter, 2017,13, 6585-6593

DOI: 10.1039/C7SM01229B

Engine : NAPLES

Orientational cross correlations between entangled branch polymers in primitive chain network simulations May. 28, 2018

Yuichi Masubuchi, Ankita Pandey, Yoshifumi Amamoto, and Takashi Uneyama

The Journal of Chemical Physics 147, 184903 (2017)

DOI: 10.1063/1.5001960

Engine : NAPLES

Model Construction and Characterization of A Network Structure of Crosslinked Phenolic Resin by Molecular Dynamics SimulationMay. 28, 2018

Yasuyuki Shudo, Atsushi Izumi, Katsumi Hagita, Toshio NaKao, Mitsuhiro Shibayama

Journal of Network Polymer, Japan, Volume 38 (2017) Issue 3 Pages 136-143

DOI: 10.11364/networkpolymer.38.136

Engine : J-OCTA

Modeling and Stress－Strain Analysis of Cross-Linked Phenolic Resins by Coarse-Grained Molecular Dynamics Simulation May. 28, 2018

Atsushi Izumi, Yasuyuki Shudo, Katsumi Hagita, Mitsuhiro Shibayama

Journal of Network Polymer,Japan, Volume 38 (2017) Issue 5 Pages 226-231

DOI: 10.11364/networkpolymer.38.226

Engine : COGNAC

Simulations of the effects of filler aggregation and filler-rubber bond on the elongation behavior of filled cross-linked rubber by coarse-grained molecular dynamicsFeb. 28, 2018

Hiromasa Yagyu

Soft Materials Volume 15,2017- Issue 4, Page 263-271

DOI: 10.1080/1539445X.2017.1352512

Engine : COGNAC

Persistent homology analysis of craze formationFeb. 28, 2018

Takashi Ichinomiya, Ippei Obayashi, and Yasuaki Hiraoka

Phys. Rev. E 95, 012504

DOI: 10.1103/PhysRevE.95.012504

Engine : COGNAC

A New Treatment for Water near the Interface between Lipid Membrane and Silica in Dissipative Particle Dynamics SimulationMay. 28, 2018

Hideo DOI, Koji OKUWAKI, Yuji MOCHIZUKI, Taku OZAWA

JCCJ. 2017 Volume 16 Issue 1 Pages 28-31

DOI: 10.2477/jccj.2017-0003

Engine : COGNAC

Thinning Approximation for Two-Dimensional Scattering Patterns from Coarse-Grained Polymer Melts under Shear FlowFeb. 28, 2018

Katsumi Hagita, Takahiro Murashima, Hiroshi Takano, and Toshihiro Kawakatsu

J. Phys. Soc. Jpn. 86, 124803 (2017)

DOI: 10.7566/JPSJ.86.124803

Engine : COGNAC

Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membraneMay. 28, 2018

Hideo Doi, Koji Okuwaki, Yuji Mochizuki, Taku Ozawa and Kenji Yasuoka

Chemical Physics Letters, Volume 684, 16 September 2017, Pages 427-432

DOI: 10.1016/j.cplett.2017.07.032

Engine : COGNAC / J-OCTA

Evaluation of resistance to hydrolysis of polyester and nylon by Multi-scale simulation.May. 28, 2018

Masakazu Kudo, Toshiharu Yamamoto, Makoto Uchida

The Proceedings of The Computational Mechanics Conference 2017.30 Session ID : 035

DOI: 10.1299/jsmecmd.2017.30.035

Engine : COGNAC

Deformation Behavior Analysis of Polymer Materials using Molecular Dynamics SimulationMay. 28, 2018

Daiki IKESHIMA, Akio YONEZU

The Proceedings of Mechanical Engineering Congress, Japan, 2017.SEP Session ID : S0410204

DOI: 10.1299/jsmemecj.2017.S0410204

Engine : COGNAC

Large-scale molecular dynamics simulation of crosslinked phenolic resins using pseudo-reaction modelMay. 28, 2018

Yasuyuki Shudo, Atsushi Izumi, Katsumi Hagita, Toshio Nakao, Mitsuhiro Shibayama

Polymer Volume 103, 26 October 2016, Pages 261-276

DOI: 10.1016/j.polymer.2016.09.069

Engine : J-OCTA

Orientational Cross-Correlation in Entangled Binary Blends in Primitive Chain Network SimulationsMay. 28, 2018

Yuichi Masubuchi and Yoshifumi Amamoto

Macromolecules, 2016, 49 (23), pp 9258-9265

DOI: 10.1021/acs.macromol.6b01642

Engine : PASTA / NAPLES

A Multichain Slip-Spring Dissipative Particle Dynamics Simulation Method for Entangled Polymer SolutionsMay. 28, 2018

Yuichi Masubuchi, Michael Langeloth, Michael C. Bohm, Tadashi Inoue, and Florian MullerPlathe

Macromolecules, 2016, 49 (23), pp 9186-9191

DOI: 10.1021/acs.macromol.6b01971

Engine : J-OCTA

Effect of Osmotic Force on Orientational Cross-correlation in Primitive Chain Network SimulationMay. 28, 2018

Yuichi Masubuchi, Yoshifumi Amamoto

Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan), Volume 44 (2016) Issue 4 Pages 219-222

DOI: 10.1678/rheology.44.219

Engine : NAPLES

Stress-Optical Relationship in Bead-Spring Simulations for Entangled Polymers under Start-up Shear FlowsMay. 28, 2018

Yuichi Masubuchi, Hiroshi Watanabe

Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan), Volume 44 (2016) Issue 1 Pages 65-68

DOI: 10.1678/rheology.44.65

Engine : COGNAC

Analysis of the end-segment distribution of a polymer at the interface of filler-filled material.

Hiroshi Morita, Masatoshi Toda and Takashi Honda

Polymer Journal (2016) 48, 451-455

DOI: 10.1038/pj.2015.135

Engine : SUSHI

Structure Development via Reaction-induced Phase Separation in Polymer Mixtures: Analysis of Early-and Late-stage Demixing and Computer Simulations at Non-isoquench Depths.

Sadayuki Kobayashi, Keiichiro Nomura and Toshiaki Ougizawa

Journal of Macromolecular Science, Part B: Physics Volume 55, Issue 3(2016)

DOI: 10.1080/00222348.2016.1138180

Engine : SUSHI

Self-assembly behaviours of primitive and modern lipid membrane solutions: a coarse-grained molecular simulation studyMay. 28, 2018

Noriyoshi Arai, Yuki Yoshimoto, Kenji Yasuoka and Toshikazu Ebisuzaki

Phys. Chem. Chem. Phys., 2016,18, 19426-19432

DOI: 10.1039/C6CP02380K

Engine : COGNAC / J-OCTA

Molecular Simulation on Effect of Introduction of Photo-dissociable Protecting Groups on Mechanical and Hydrolysis Properties of PLA

Matotsugu TANAKA, Shun-ichiro ABE, Yuta NOHARA, Naoki SETO, Hiroshi SAITO and Isao KIMPARA

Journal of the Japan Society for Composite Materials 42(2), 49-58, 2016

DOI: 10.6089/jscm.42.49

Engine : COGNAC

A Molecular Dynamics for the Interfacial Strength between Carbon Fiber and Phenolic Resin

Takashi NIUCHI, Jun KOYANAGI, Ryo INOUE, and Yasuo KOGO

日Journal of the Japan Society for Composite Materials 42(2), 59-66, 2016

DOI: 10.6089/jscm.42.59

Engine : COGNAC

Process Design for Heat Fusion of Thermoplastic Composites Using Molecular Dynamics and a Response Surface Method

Kento TAKEUCHI, Ryosuke MATSUZAKI, Tomonaga OKABE and Yutaka OYA

Journal of the Japan Society for Composite Materials 42(2), 67-75, 2016

DOI: 10.6089/jscm.42.67

Engine : COGNAC

Numerical Simulation of Thermo-Viscoelastic Behavior of Polypropylene by Molecular DynamicsMay. 28, 2018

Tomoya KAGEYAMA, Jun KOYANAGI, Ryota KITAMURA and Shinji OGIHARA

Journal of the Japan Society for Composite Materials 42(2), 82-87, 201

DOI: 10.6089/jscm.42.82

Engine : COGNAC / J-OCTA

Lithography process simulation studies using coarse-grained polymer models.

Hiroshi Morita

Polymer Journal (2016) 48, 45-50

DOI: 10.1038/pj.2015.78

Simulation Utilities for Soft and Hard Interfaces in Open Computational Tool for Advanced Material Technology.

Takashi HONDA

NIHON GAZO GAKKAISHI Vol. 55 (2016) No.1, 33-37

DOI: 10.11370/isj.55.33

Numerical placement analysis in hole multiplication patterns for directed self-assembly.

K. Yamamoto, T. Nakano, M. Muramatsu, H. Genjima, T. Tomita, K. Matsuzaki, T. Kitano

Proc. SPIE 9777, Alternative Lithographic Technologies VIII, 97771Q

DOI: 10.1117/12.2218596

Engine : COGNAC

Effects of degree of freedom below entanglement segment on relaxation of polymer configuration under fast shear in multi-chain slip-spring simulationsMay. 28, 2018

Yuichi Masubuchi

Chemical Physics 143, 224905 (2015)

DOI: 10.1063/1.4937172

Engine : J-OCTA

Primitive chain network simulations for elongational viscosity of bidisperse polystyrene meltsMay. 28, 2018

Keiko Takeda, Sathish K Sukumaran, Masataka Sugimoto, Kiyohito Koyama and Yuichi Masubuchi

Advanced Modeling and Simulation in Engineering Sciences 2015 2:11

DOI: 10.1186/s40323-015-0035-7

Engine : NAPLES

Test of the Stretch/Orientation-Induced Reduction of Friction for Biaxial Elongational Flow via Primitive Chain Network SimulationMay. 28, 2018

Keiko Takeda, Sathish Kumar Sukumaran, Masataka Sugimoto, Kiyohito Koyama, Yuichi Masubuchi

Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan), Volume 43 (2015) Issue 3_4 Pages 63-39

DOI: 10.1678/rheology.43.63

Engine : NAPLES

Coarse-grained Molecular Dynamics Simulation of the Effects of Strain Rate on Tensile Stress of Cross-Linked Rubber.

Hiromasa Yagyu

Soft Materials 13.4 (2015): 263-270.

DOI: 10.1080/1539445X.2015.1088457

Engine : COGNAC

Hierarchical Nanostructures Self-Assembled from a Mixture System Containing Rod-Coil Block Copolymers and Rigid Homopolymers.

Yongliang Li, Tao Jiang, Shaoliang Lin, Jiaping Lin, Chunhua Cai and Xingyu Zhu

Scientific reports 5 (2015).

DOI: 10.1038/srep10137

Engine : COGNAC

Multi-scale Modeling of Degradation Behavior for Crystalline PolymerMay. 28, 2018

Masakazu KUDO, Junichi TAKAHASHI, Toshiharu YAMAMOTO, Makoto UCHIDA, Yoshihiro TOMITA

Journal of the Society of Materials Science, Japan Vol. 64 (2015) No. 4 p. 311-316

DOI: 10.2472/jsms.64.311

Engine : COGNAC

Evaluation of viscosity and shear stress in a telechelic polymer when various shear rates are applied.

Manassero, Carlo, and Carlo Castellano.

Journal of Polymer Research 22.1 (2015): 1-8.

DOI: 10.1007/s10965-014-0621-2

Engine : COGNAC

Relationship between Microphase Separation Structure and Physical Property of Thermoplastic Elastomer MixturesMay. 28, 2018

Atsushi TAKAYANAGI, Yuki NAKAMA, Futoshi MAEDA, Rhoji ODA, Sadaharu HASHIMOTO, Takashi HONDA

KOBUNSHI RONBUNSHU, : 2014-0061

DOI: 10.1295/koron.2014-0061

Engine : SUSHI

Computation of full polymer-based photovoltaic nanodevices using a parametrized field-based multiscale solar-cell approach.

Sergii Donets, Anton Pershin and Stephan A. Baeurle

Organic Electronics 22 (2015): 216-228.

DOI: 10.1016/j.orgel.2015.03.049

Engine : SUSHI

Optimizing the fabrication process and interplay of device components of polymer solar cells using a field-based multiscale solar-cell algorithm

Sergii Donets, Anton Pershin and Stephan A Baeurle

The Journal of chemical physics 142.18 (2015): 184902.

DOI: 10.1063/1.4919649

Engine : SUSHI

Simulation study on defect annihilation dynamics in directed self-assembly lithography.

Katsuyoshi Kodera, Hideki Kanai, Hironobu Sato, Yuriko Seino, Katsutoshi Kobayashi, Yusuke Kasahara, Hitoshi Kubota, Naoko Kihara, Yoshiaki Kawamonzen, Shinya Minegishi, Ken Miyagi, Masayuki Shiraishi, Toshikatsu Tobana, Satoshi Nomura and Tsukasa Azuma

Journal of Vacuum Science & Technology B33.6 (2015): 06F303.

DOI: 10.1116/1.4935254

Engine : COGNAC / SUSHI

Glassy dynamics of a polymer monolayer on a heterogeneous disordered substrate.

Pastore, Raffaele, and Guido Raos.

Soft matter 11.41 (2015): 8083-8091.

DOI: 10.1039/C5SM01440A

Engine : COGNAC

Multiscale Simulation Technology and Software for Soft Matter. May. 28, 2018

Hideyo YOSHIDA, Hiroya NITTA, Kenta CHAKI, Kosuke OHATA and Taku OZAWA

NIHON GAZO GAKKAISHI Vol. 54 (2015) No. 6 p. 578-586

DOI: 10.11370/isj.54.578

Engine : J-OCTA

Molecular dynamics simulation for shape change of water-in-oil droplets

Naohito Urakami, Akio Takaki, Masayuki Imai and Takashi Yamamoto

Molecular Simulation Volume 41, 2015 - Issue 10-12 Pages 986-992

DOI: 10.1080/08927022.2014.931582

Engine : COGNAC

Analysis of the self-assembling and the defect annihilation processes in DSA using meso-scale simulation.

K. Yamamoto, T. Nakano, M. Muramatsu, T. Tomita, K. Matsuzaki and T. Kitano

Proc. SPIE 9425, Advances in Patterning Materials and Processes XXXII, 942510 (March 23, 2015)

DOI: 10.1117/12.2085650

Engine : COGNAC

Computational analysis of hole placement errors for directed self-assembly.

Yamamoto, K., et al.

Proc. SPIE 9423, Alternative Lithographic Technologies VII, 94231X (19 March 2015)

DOI: 10.1117/12.2085084

Engine : COGNAC

Test of Orientation/Stretch-Induced Reduction of Friction via Primitive Chain Network Simulations for Polystyrene, Polyisoprene, and Poly(n-butyl acrylate)May. 28, 2018

Yuichi Masubuchi, Yumi Matsumiya, and Hiroshi Watanabe

Macromolecules, 2014, 47 (19), pp 6768-6775

DOI: 10.1021/ma5016165

Engine : NAPLES

Origin of Stress Overshoot under Start-up Shear in Primitive Chain Network SimulationMay. 28, 2018

Yuichi Masubuchi and Hiroshi Watanabe

ACS Macro Lett., 2014, 3 (11), pp 1183-1186

DOI: 10.1021/mz500627r

Engine : NAPLES

Reptation and constraint release dynamics in bidisperse polymer melts May. 28, 2018

Michael Langeloth, Yuichi Masubuchi, Michael C. Bohm, and Florian MullerPlathe

The Journal of Chemical Physics 141, 194904 (2014)

DOI: 10.1063/1.4901425

Engine : J-OCTA

Lithography process simulations using OCTA-application to development and DSA

Hiroshi Morita

Journal of Photopolymer Science and Technology 27.1 (2014): 25-29.

DOI: 10.2494/photopolymer.27.25

Engine : COGNAC / SUSHI

Study of interfacial effect on reinforcement of nanofilled crosslinked rubber using coarse-grained molecular dynamicsMay. 28, 2018

Hiromasa YAGYU

Transactions of the JSME (in Japanese), Vol. 80 (2014) No. 810 p. CM0032

DOI: 10.1299/transjsme.2014cm0032

Engine : COGNAC

Simulation of binary dispersion system of droplets with size and surface tension difference under Couette flow.

Masato Makino, Masako Sugihara-Seki

Journal of Biorheology 28.1 (2014): 7-10.

DOI: 10.17106/jbr.28.7

Engine : COGNAC

Intra-and Inter-Molecular Potential Parameters for Molecular Dynamics Simulation of Benzene and Cyclohexane Mixture.

Hidenori Higashi, Yasufumi Miyake, Kazuhiro Tamura, Takafumi Seto and Yoshio Otani

Journal of Chemical Engineering of Japan 47.12 (2014): 849-854.

DOI: 10.1252/jcej.14we127

Engine : COGNAC

Breakdown of Time-Temperature Superposition in a Bead-Spring Polymer Melt near the Glass Transition Temperature.

Tamio Yamazaki

The Journal of Physical Chemistry B 118.50 (2014): 14687-14694.

DOI: 10.1021/jp506925x

Engine : COGNAC

Development of fast DSA simulation method using OCTA system

H. Morita

Proc. SPIE, 9049, (2014)

DOI: 10.1117/12.2046090

Engine : COGNAC / SUSHI

A computer simulation of the networked structure of a hydrogel prepared from a tetra-armed star pre-polymerMay. 28, 2018

K.Takagi, S.Murayama, T.Sakai, M.Asai, T.Santa and M.Kato

Soft Matter, 10, 3553 (2014)

DOI: 10.1039/C3SM52908H

Engine : COGNAC / J-OCTA

Molecular Dynamics of Crystallization in a Helical Polymer Isotactic Polypropylene from the Oriented Amorphous State

T.Yamamoto

Macromolecules 47, 3192-3202 (2014)

DOI: 10.1021/ma500307h

Engine : COGNAC

Primitive Chain Network Simulations for Pom-Pom Polymers in Uniaxial Elongational Flows

Y. Masubuchi, Y. Matsumiya, H. Watanabe, G. Marrucci and G. Ianniruberto,

Macromolesules 47(10), 3511-3519 (2014)

DOI: 10.1021/ma500357g

Engine : NAPLES

Segregation of Large and Small Droplets Suspended in Poiseuille Flow.

Masato Makino and Masako Sugihara-Seki

Theoretical and Applied Mechanics Japan 62.0 (2014): 69-78.

DOI: 10.11345/nctam.62.69

Engine : COGNAC

Polymer-Filler Interphase Dynamics and Reinforcement of Elastomer Nanocomposites.

Fleck, F., V. Froltsov and M. Kluppel.

Soft Materials. Vol. 12 Supplement 1, 2014: S121-S134

DOI: 10.1080/1539445X.2014.957836

Engine : COGNAC

Tunable Photonic Crystals: Control of the Domain Spacings in Lamellar-Forming Diblock Copolymers by Swelling with Immiscible Selective Solvents and a Neutral Solvent.

Akifumi Matsushita and Shigeru Okamoto

Macromolecules, 2014, 47 (20), pp 7169-7177

DOI: 10.1021/ma501560n

Engine : SUSHI

Simulating the flow of entangled polymers

Y. Masubuchi

Annu. Rev. Chem. Biomol. Eng. 5, 11-33 (2014)

DOI: 10.1146/annurev-chembioeng-060713-040401

Engine : COGNAC / PASTA / NAPLES

Simulation analysis of directed self-assembly for hole multiplication in guide patterns.

M. Muramatsu, T. Nakano, T. Tomita, K. Yamamoto, K. Matsuzaki and T. Kitano

SPIE 9049, Alternative Lithographic Technologies VI, 904921 (16 April 2014)

DOI: 10.1117/12.2045865

Engine : COGNAC

Kinetic pathways of sphere-to-cylinder transition in diblock copolymer melt under electric field

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

J. Chem. Phys. 138, 074904 (2013)

DOI: 10.1063/1.4791639

Engine : SUSHI

Applicable Simulation Methods for Directed Self-Assembly -Advantages and Disadvantages of These Methods

H. Morita and J. Pho

polymer Sci. Tech., 26, 801-807, (2013)

DOI: 10.2494/photopolymer.26.801

Engine : COGNAC / SUSHI

Ordering simulation of high thermal conductivity epoxy resinsMay. 28, 2018

T.Koda, T.Toyoshima, T.Komatsu, Y.Takezawa, A.Nishioka and K.Miyata,

Polymaer J., 45, 444-448 (2013)

DOI: 10.1038/pj.2012.163

Engine : COGNAC / J-OCTA

Molecular dynamics in fiber formation of polyethylene and large deformation of the fiber

T.Yamamoto

Polymer , 54, 3086-3097 (2013)

DOI: 10.1016/j.polymer.2013.04.029

Engine : COGNAC

Stretch/orientation induced acceleration in stress relaxation in coarse-grained molecular dynamics simulations

Y. Masubuchi, T. Yaoita, Y. Matsumiya, H. Watanabe, G. Ianniruberto and G. Marrucci

Nihon Reoroji Gakkaishi (J. Soc. Rheol. Jpn.) 41(1), 33-35 (2013)

DOI: 10.1678/rheology.41.3

Engine : COGNAC

Cross-Correlation Contributions to Orientational Relaxations in Primitive Chain Network Simulations

Y. Masubuchi and S. K. Sukumaran

Nihon Reoroji Gakkaishi (J. Soc. Rheol. Jpn.) 41(1), 1-7 (2013)

DOI: 10.1678/rheology.41.1

Engine : NAPLES

Nonlinear stress relaxation of scarcely entangled chains in primitive chain network simulations

K. Furuichi, C. Nonomura, Y. Masubuchi and H. Watanabe

Nihon Reoroji Gakkaishi (J. Soc. Rheol. Jpn.) 41(1), 13-19, (2013)

DOI: 10.1678/rheology.41.13

Engine : NAPLES

Anisotropic Velocity Fluctuations and Particle Diffusion in Sedimentation

A. Hamid and R. Yamamoto

J. Phys. Soc. Jpn. 82 (2013) 024004 (7Pages)

DOI: 10.7566/JPSJ.82.024004

Engine : KAPSEL

Direct numerical simulations of anisotropic diffusion of spherical particles in sedimentation

A. Hamid and R. Yamamoto

Phys. Rev. E 87, 022310

DOI: 10.1103/PhysRevE.87.022310

Engine : KAPSEL

Hydrodynamic interactions of self-propelled swimmers

J. J. Molina, Y. Nakayama and R. Yamamoto

Soft Matter, 2013, 9, 4923-4936

DOI: 10.1039/C3SM00140G

Engine : KAPSEL

Propagation of hydrodynamic interactions between particles in a compressible fluid

R. Tatsumi and R. Yamamoto

Phys. Fluids 25, 046101 (2013)

DOI: 10.1063/1.4802038

Engine : KAPSEL

Velocity relaxation of a particle in a confined compressible fluid

R. Tatsumi and R. Yamamoto

J. Chem. Phys. 138, 184905 (2013)

DOI: 10.1063/1.4804186

Engine : KAPSEL

Combining Lees-Edwards boundary conditions with smoothed profile-lattice Boltzmann methods to introduce shear into particle suspensions

E. J. Javaran, M. Rahnama and S. Jafari

Advanced Powder Technology 24(6),1109-1118

DOI: 10.1016/j.apt.2013.03.018

Engine : KAPSEL

Rupture of filler-filler bonds in strained elastomers: A molecular dynamics investigation.

Kliippel, Manfred, Vladimir Froltsov and Daniel Juhre.

Constitutive Models for Rubber VIII (2013): 287-292

DOI: 10.1201/b14964-52

Engine : COGNAC

Effect of molecular weight and molecular weight distribution on weld-line interface in injection-molded polypropylene.

Katsuyuki Yokomizo, Yoshihiro Banno, Taketo Yoshikawa and Masaya Kotaki

Polymer Engineering & Science 53.11 (2013): 2336-2344.

DOI: 10.1002/pen.23487

Engine : COGNAC

Segregation by size difference in binary suspensions of fluid droplets in channel flow.

Masato Makino and Masako Sugihara-Seki

Biorheology 50.3 (2013): 149-163.

DOI: 10.3233/BIR-130638

Engine : COGNAC

Simulation-Assisted Self-Assembly of Multicomponent Polymers into Hierarchical Assemblies with Varied Morphologies.

Chunhua Cai, Yongliang Li, Prof. Jiaping Lin,Liquan Wang, Shaoliang Lin, Dr. Xiao-Song Wang and Tao Jiang

Angewandte Chemie International Edition 52.30 (2013): 7732-7736.

DOI: 10.1002/anie.201210024

Engine : COGNAC

Telechelic Melt Polymer's Structure Variation Depending on Shear Deformation.

Carlo Manassero and Carlo Castellano

Journal of Macromolecular Science, Part B 52.10 (2013): 1465-1477.

DOI: 10.1080/00222348.2013.771019

Engine : COGNAC

Pulling Polymers on Energetically Disordered Surfaces: Molecular Dynamics Tests of Linear and Non-linear Response.

Raos Guido and Timothy J. Sluckin.

Macromolecular Theory and Simulations 22.4 (2013): 225-237.

DOI: 10.1002/mats.201200075

Engine : COGNAC

Simulating Colloids and Self-Propelled Particles with Fully Resolved Hydrodynamics Using the Smoothed Profile Method (SPM)

R. Yamamoto, J. J. Molina and R. Tatsumi

NIC Proceeding

Dissipative particle dynamics study on directed self-assembly in holes.

T. Nakano,M. Matsukuma,K. Matsuzaki,M. Muramatsu,T. Tomita and T. Kitano

SPIE Advanced Lithography. International Society for Optics and Photonics, 2013.

DOI: 10.1117/12.2011069

Engine : COGNAC

Atomistic molecular dynamics study of cross-linked phenolic resinsMay. 28, 2018

A.Izumi, T.Nakao and M.Shibayama

Soft Matter, 8, 5283-5292 (2012)

DOI: 10.1039/C2SM25067E

Engine : COGNAC / J-OCTA

Mesoscale simulation of the line-edge structure during positive and negative tone resist development process

H. Morita, I. Okabe, S. Agarwal and V. K. Singh

Proc. SPIE, 8325, (2012)

DOI: 10.1117/12.916389

Engine : COGNAC

Simulation Study of the Rubber Materials using Coarse Graining Method - Adhesion between soft rubber and solid substrate

H.Morita and M.Doi

KAUTSCHUK UND GUMMI KUNSTSTOFFE, 65 (6), 55-59, (2012)

Engine : COGNAC

Local Conformation and Relaxation of Polystyrene at Substrate Interface

H. Tsuruta, Y. Fujii, N. Kai, H. Kataoka, T. Ishizone, M. Doi, H. Morita and K. Tanaka

Macromolecules, 45, 4643-4649, (2012)

DOI: 10.1021/ma3007202

Engine : COGNAC

Primitive Chain Network Simulation of Elongational Flows of Entangled Linear Chains:Stretch/ Orientation - induced Reduction of Monomeric Friction

T. Yaoita, T. Isaki, Y. Masubuchi, H. Watanabe, G. Ianniruberto and G. Marrucci

Macromolecules, 45, 2773 - 2782 (2012)

DOI: 10.1021/ma202525v

Engine : NAPLES

Primitive Chain Network Simulations for Comb-Branched Polymer under Step Shear Deformations

Y. Masubuchi, Y. Matsumiya, H. Watanabe, S. Shiromoto, M. Tsutsubuchi and Y. Togawa

Rheo. Acta, 51, 193-200 (2012)

DOI: 10.1007/s00397-011-0574-x

Engine : NAPLES

Effective Value of the Dynamic Dilution Exponent in Bidisperse Linear Polymers: From 1 to 4/3

E. van Ruymbeke, Y. Masubuchi and H. Watanabe

Macromolecules, 45, 2085 - 2098 (2012)

DOI: 10.1021/ma202167q

Engine : NAPLES

A Multi-scale Simulation of Polymer Processing utilizing Parameter-Based Bridging in Melt Rheology

Y. Masubuchi, T. Uneyama and K. Saito

J.App Polym. Sci., 125 (4) 2740-2747 (2012)

DOI: 10.1002/app.36593

Engine : NAPLES

Relaxation of single polymer chain in binary molecular weight blends observed by scanning near-field optical microscopy

T. Ube, H. Aoki, S. Ito, J. Horinaka and T. Takigawa

Soft Matter, 8, 5603-5611 (2012)

DOI: 10.1039/C2SM25272D

Engine : PASTA

Direct numerical simulation of dispersed particles in a compressible fluid

R. Tatsumi and R. Yamamoto

Phys. Rev. E 85, 066704

DOI: 10.1103/PhysRevE.85.066704

Engine : KAPSEL

Effect of hydrodynamic interactions on rapid Brownian coagulation of colloidal dispersions

Y. Matsuoka, T. Fukasawa, K. Higashitani and R. Yamamoto

Phys. Rev. E 86, 051403

DOI: 10.1103/PhysRevE.86.051403

Engine : KAPSEL

Simulation of mechanical properties of epoxy-based chemically amplified resist by coarse-grained molecular dynamics.

Hiromasa Yagyu,Yoshikazu Hirai,Akio Uesugi,Yoshihide Makino,Koji Sugano,Toshiyuki Tsuchiya and Osamu Tabata

Polymer 53.21 (2012) : 4834-4842

DOI: 10.1016/j.polymer.2012.08.050

Engine : COGNAC

Molecular dynamics study on the effect of molecular orientation on polymer welding.

Katsuyuki Yokomizo,Yoshihiro Banno and Masaya Kotaki

Polymer 53.19 (2012): 4280-4286.

DOI: 10.1016/j.polymer.2012.07.042

Engine : COGNAC

Molecular dynamics simulation of rupture in glassy polymer bridges within filler aggregates.

Vladimir A. Froltsov, Manfred Kluppel and Guido Raos

Phys. Rev. E 86, 041801

DOI: 10.1103/PhysRevE.86.041801

Engine : COGNAC

Multiscale Simulation for Polymer Material Design

T.Aoyagi

Hierarchy of collective phenomena and interrelations between hierarchy structures, 46-54, (2012)

Coarse-Grained Molecular Dynamics Simulation of Epoxy-Based Chemically-Amplified Resist for MEMS Application.

Hiromasa Yagyu,Yoshikazu Hirai,Akio Uesugi,Yoshihide Makino,Koji Sugano,Toshiyuki Tsuchiya and Osamu Tabata

MRS Proceedings. Vol. 1415. Cambridge University Press, 2012.

DOI: 10.1557/opl.2012.198

Engine : COGNAC

Nonequilibrium simulations of filled polymer networks: Searching for the origins of reinforcement and nonlinearity

G.Raos and M.Casalegno

J.Chem.Phys, 134, 054902 (2011)

DOI: 10.1063/1.3537971

Engine : COGNAC

Single chain distribution analysis near a substrate using a combined method of three-dimensional imaging and SCF simulation

H. Morita, H. Sugimori, M. Doi and H. Jinnai

Eur. Polym. J. , 47, 685-691, (2011)

DOI: 10.1016/j.eurpolymj.2010.09.038

Engine : SUSHI

Mesoscale simulation of line-edge structures based on polymer chains in development and rinse processes

H. Morita and M. Doi

Journal of Micro-Nanolithography MEMS and MOEMS, 9, 041213, (2011)

DOI: 10.1117/1.3530593

Engine : COGNAC

Meso-scale simulation of the line-edge structure based on resist polymer molecules by negative-tone process

H. Morita

Proc. SPIE, 7972, (2011)

DOI: 10.1117/12.879587

Engine : COGNAC

Molecular dynamics simulation for morphological change of water-in-oil microemulsion droplets induced by addition of polymer chains

T. Kurokawa, N. Urakami, K. Yaegashi, A. Sakashita, M. Imai and T. Yamamoto,

Soft Matter, 7, 7504-7510 (2011)

DOI: 10.1039/C1SM05447C

Engine : COGNAC

Primitive Chain Network Simulation of Elongational Flows of Entangled Linear Chains: Role of Finite Chain Extensibility

T. Yaoita, T. Isaki, Y. Masubuchi, H. Watanabe, G. Ianniruberto and G. Marrucci

Macromolecules, 44, 9675-9682 (2011)

DOI: 10.1021/ma202166y

Engine : NAPLES

Detailed Balance Condition and Effective Free Energy in the Primitive Chain Network Model

T. Uneyama and Y. Masubuchi

J. Chem. Phys., 135(18), 184904 (2011)

DOI: 10.1063/1.3658775

Engine : NAPLES

Primitive chain network simulations for asymmetric star polymers

Y. Masubuchi, Y. Matsumiya and H. Watanabe

J. Chem. Phys., 134, [194905] 1-8 (2011)

DOI: 10.1063/1.3590276

Engine : NAPLES

Implementation of Lees-Edwards periodic boundary conditions for direct numerical simulations of particle dispersions under shear flow

H. Kobayashi and R. Yamamoto

J. Chem. Phys. 134, 064110 (2011)

DOI: 10.1063/1.3537974

Engine : KAPSEL

Lattice-Boltzmann method combined with smoothed-profile method for particulate suspensions

S. Jafari, R. Yamamoto and M. Rahnama

Phys. Rev. E 83, 026702

DOI: 10.1103/PhysRevE.83.026702

Engine : KAPSEL

Reentrant transition in the shear viscosity of dilute rigid-rod dispersions

H. Kobayashi and R. Yamamoto

Phys. Rev. E 84, 051404

DOI: 10.1103/PhysRevE.84.051404

Engine : KAPSEL

Investigation of the Microscopic Viscoelastic Property for Cross-linked Polymer Network by Molecular Dynamics Simulation.

Y. Masumoto and Y. Iida.

Tire Science and Technology 39.1 (2011): 44-58.

DOI: 10.2346/1.3555178

Engine : COGNAC

A Molecular Dynamic Simulation of Crosslinking of Bisphenol and Triazine by United Atom Model: A Polycyanurate Model.

Taketo Ikeno,Makoto Tsubuku,Masayuki Katagiri and Tomoo Tsujimoto

Chemistry Letters 40.3 (2011): 309-311.

DOI: 10.1246/cl.2011.309

Engine : COGNAC

Simulation of chain length recognition observed in formation of inclusion complex.

Naohito Urakami,Junko Imada and Takashi Yamamoto

Computer Physics Communications 182.1 (2011): 240-242.

DOI: 10.1016/j.cpc.2010.05.015

Engine : COGNAC

Dynamic phenomena and viscous properties in a liquid crystal: A theoretical treatment and molecular dynamic simulations.

M. Ilk Capara,E. Cebea and A.V. Zakharovb

Chemical Physics Letters 514.1 (2011): 124-127.

DOI: 10.1016/j.cplett.2011.08.037

Engine : COGNAC

Self-assembly behavior of ABA coil-rod-coil triblock copolymers: A Brownian dynamics simulation approach.

Yongliang Li, Shaoliang Lin, Xiaohua He, Jiaping Li and Tao Jiang

The Journal of chemical physics 135.1 (2011): 014102.

DOI: 10.1063/1.3606396

Engine : COGNAC

NUMERICAL SIMULATION ON THE MECHANICAL BEHAVIOR OF WATER-CONTAINED PEM.

Riku, I., K. Morizane and K. Mimura.

Advances in Heterogeneous Material Mechanics 2011: Proceedings of the Third International Conference on

Heterogeneous Material Mechanics

Engine : COGNAC

Development of simulation techniques for mechanical strength of nanoconposite insulating materials.

Sano, A.; Ohtake, A. ; Kobayashi, K. ; Matsumoto, H.

Electrical Insulating Materials (ISEIM), Proceedings of 2011 International Conference on. IEEE, 2011.

Engine : COGNAC

Simulation of pseudopolyrotaxane formation and orientational order between pseudopolyrotaxanes

N.Urakami, J. Imada and T.Yamamoto

J. Chem. Phys. 132, 054901 (2010)

DOI: 10.1063/1.3298995

Engine : COGNAC

Chain contraction and nonlinear stress damping in primitive chain network simulations

K. Furuichi, C. Nonomura, Y. Masubuchi and H. Watanabe

J. Chem. Phys., 133(17), [174902]1-10 (2010)

DOI: 10.1063/1.3502681

Engine : NAPLES

Structure of Entangled Polymer Network from Primitive Chain Network Simulations

Y. Masubuchi, T. Uneyama, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci

J. Chem. Phys. 132(13), [134902] 1-8 (2010)

DOI: 10.1063/1.3370346

Engine : NAPLES

Modeling electrokinetic flows by the smoothed profile method

X. Luo, A. Beskok and G. E. Karniadakis

J. Comput. Phys. 229(10), 3828-3847

DOI: 10.1016/j.jcp.2010.01.030

Engine : KAPSEL

Tumbling motion of a single chain in shear flow: A crossover from Brownian to non-Brownian behavior

H. Kobayashi and R. Yamamoto

Phys. Rev. E 81, 041807

DOI: 10.1103/PhysRevE.81.041807

Engine : KAPSEL

Molecular Mechanisms of Thin Film Formation in n-Alkanes on Solid Substrates: Effects of Atomic-Level Structures of the Substrate

Masaki MINE, Naohito URAKAMI, Koji NOZAKI, Takashi YAMAMOTO

KOBUNSHI RONBUNSHU, Vol. 67 (2010) No. 3 P 198-202

DOI: 10.1295/koron.67.198

Engine : COGNAC

Calculation of diffusion coefficient for supercritical carbon dioxide and carbon dioxide+ naphthalene system by molecular dynamics simulation using EPM2 model.

Higashi, Hidenori and Kazuhiro Tamura.

Molecular Simulation 36.10 (2010): 772-777.

DOI: 10.1080/08927021003752846

Engine : COGNAC

Water Transport in Polymer Electrolyte Membranes Investigated by Dissipative Particle Dynamics Simulation.

Shin-ichi Sawada,Tetsuya Yamaki,Taku Ozawac,Akihiro Suzuki,Takayuki Teraid and Yasunari Maekawae

ECS Transactions 33.1 (2010): 1067-1078.

DOI: 10.1149/1.3484600

Engine : COGNAC

SCFT simulation and SANS study on spatial distribution of solvents in microphase separation induced by a differentiating non-solvent in a semi-dilute solution of an ultra-high-molecular-weight block copolymer.

K Ando,T Yamanaka,S Okamoto,N Sakamoto,D Yamaguchi,S Koizumi,H Hasegawa and N Koshikawa

Journal of Physics: Conference Series. Vol. 247. No. 1. IOP Publishing, 2010.

DOI: 10.1088/1742-6596/247/1/012040

Engine : SUSHI

Phase transition and morphology of polydispersed ABA' triblock copolymers determined by continuous and discrete simulations

A. Soldera, Y. Qi and W. T. Capehart

J. Chem. Phys. 130, 064902 (2009)

DOI: 10.1063/1.3071194

Engine : SUSHI

Electric field-induced transitions in perforated lamella of ABA triblock copolymer thin film

D.Q.Ly, T.Honda, T.Kawakatsu and A.V.Zvelindovsky

Soft Matter, 5, 4814-4822 (2009)

DOI: 10.1039/B911521H

Engine : SUSHI

Coarse-grained Molecular Dynamics Simulation Study of Nanorheology and NanotribologyMay. 28, 2018

H. Morita, K. Nakajima, T. Nishi and M. Doi

J.Soc.Rheol.Jpn, 37 (2), 105-111, (2009)

DOI: 10.1678/rheology.37.105

Engine : COGNAC

Meso-scale simulation of the polymer dynamics in the formation process of line-edge roughness

H. Morita and M. Doi

Proc. SPIE, 7273, 727337 (2009)

DOI: 10.1117/12.814017

Engine : COGNAC

Coarse-grained molecular dynamics simulation of nanofilled crosslinked rubber

H.Yagyu and T.Utsumi

Comput.Mater.Sci., 46, 286 (2009)

DOI: 10.1016/j.commatsci.2009.02.035

Engine : COGNAC

Interfacial Mobility of Polymers on Inorganic Solids

K. Tanaka, Y. Tateishi, Y. Okada, T. Nagamura, M. Doi and H. Morita

J. Phys. Chem. B, 113 (14), 4571-4577, (2009)

DOI: 10.1021/jp810370f

Engine : COGNAC

Coarse-Grained Molecular Dynamics Study of the Interface of Polymer Blends

T.Aoyagi

J.Soc.Rheol.Jpn, 37(2), 75-79 (2009)

DOI: 10.1678/rheology.37.75

Engine : COGNAC

Primitive Chain Network Simulations for Entangled DNA Solutions

Y. Masubuchi, K. Furuichi, K. Horio, T. Uneyama, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci

J. Chem. Phys. 131(11) [114906]1-8 (2009)

DOI: 10.1063/1.3225994

Engine : NAPLES

A theoretical analysis of rheodielectric response of type-A polymer chains

T. Uneyama, Y. Masubuchi, K. Horio, Y. Matsumiya, H. Watanabe, J. A. Pathak and C. M. Roland

Journal of Polymer Science Part B: Polymer Physics, 47(11), 1039-1057, (2009)

DOI: 10.1002/polb.21708

Engine : NAPLES

Primitive Chain Network Simulations of Conformational Relaxation for Individual Molecules in the Entangled State. II. Retraction from Stretched States

Y. Masubuchi, T. Uneyama, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci

Nihon Reoroji Gakkaishi (J. Soc. Rheol. Japan), 37 (2), 65-68 (2009)

DOI: 10.1678/rheology.37.65

Engine : NAPLES

Short-time motion of Brownian particles in a shear flow

T. Iwashita and R. Yamamoto

Phys. Rev. E 79, 031401

DOI: 10.1103/PhysRevE.79.031401

Engine : KAPSEL

Smoothed profile method for particulate flows: Error analysis and simulations

X. Luo, M. R. Maxey and G. E. Karniadakis

J. Comput. Phys. 228(5), 1750-1769

DOI: 10.1016/j.jcp.2008.11.006

Engine : KAPSEL

A direct numerical simulation method for complex modulus of particle dispersions

T. Iwashita, T. Kumagai and R. Yamamoto

Eur. Phys. J. E 032, 357-363 (2010)

DOI: 10.1140/epje/i2010-10638-7

Engine : KAPSEL

Direct numerical simulations for non-Newtonian rheology of concentrated particle disper

T. Iwashita and R. Yamamoto

Phys. Rev. E 80, 061402

DOI: 10.1103/PhysRevE.80.061402

Engine : KAPSEL

Velocity Autocorrelation Function of Fluctuating Particles in Incompressible Fluids

T. Iwashita, Y. Nakayama and R. Yamamoto

Prog. Theor. Phys. Supplement (2009) 178 86-91.

DOI: 10.1143/PTPS.178.86

Engine : KAPSEL

Brownian Molecular Dynamics Simulation on Self-Assembly Behavior of Diblock Copolymers: Influence of Chain Conformation.

Shaoliang Lin, Xiaohua He, Yongliang Li,Jiaping Lin and Takuhei Nose

The Journal of Physical Chemistry B 113.42 (2009): 13926-13934.

DOI: 10.1021/jp904707a

Engine : COGNAC

Conformation-related exciton localization and charge-pair formation in polythiophenes: ensemble and single-molecule study.

Toshikazu Sugimoto, Satoshi Habuchi, Kenji Ogi and Martin Vacha

The Journal of Physical Chemistry B 113.36 (2009): 12220-12226.

DOI: 10.1021/jp9060945

Engine : COGNAC

Coarse-grained Simulation Study for the Surface and Interface of the Polymeric MaterialsMay. 28, 2018

Hiroshi Morita

NIPPON GOMU KYOKAISHI, Vol. 82 (2009) No. 11 P 472-477

DOI: 10.2324/gomu.82.472

Engine :

Hexagonally Perforated Lamella-to-Cylinder Transition in a Diblock Copolymer Thin Film under an Electric Field

D. Q. Ly, T. Honda, T. Kawakatsu and A. V. Zvelindovsky

Macromolecules, 41, 4501-4505 (2008)

DOI: 10.1021/ma0708850

Engine : SUSHI

Three dimensional visualization of a single block copolymer in lamellar nanodomains

Hiroshi Morita, Toshihiro Kawakatsu, Masao Doi, Toshi Nishi and Hiroshi Jinnai

Macromolecules, 41 (13), 4845-4849, (2008)

DOI: 10.1021/ma8003828

Engine : COGNAC / SUSHI

Dissipative particle dynamics study for the phase separated structures of polymer thin film caused by solvent evaporation

Hiroshi Morita, Taku Ozawa, Naoki Kobayashi, Hiroo Fukunaga and Masao Doi,

J.Soc.Rheol.Jpn, 36, 93-98, (2008)

DOI: 10.1678/rheology.36.93

Engine : COGNAC

A Transition from Cylindrical to Spherical Morphology in Diblock Copolymer Thin Films

K. Niihara, H. Sugimori, U. Matsuwaki, F. Taira, H. Morita, M. Doi, K. Masunaga, S. Sasaki and H. Jinnai

Macromolecules, 41(23), 9318-9325, (2008)

DOI: 10.1021/ma801892p

Engine : SUSHI

Hydrodynamic effects on the disorder-to-order transitions of diblock copolymer melts

T. Honda and T. Kawakatsu

J. Chem. Phys. 129, 114904 (2008)

DOI: 10.1063/1.2977742

Engine : SUSHI

Relating Conformation and Photophysics in Single MEH-PPV Chains

Y.Ebihara and M.Vacha

J.Phys.Chem., 112 (40), 12575-12578 (2008)

DOI: 10.1021/jp806963u

Engine : COGNAC

Molecular dynamics simulation of AFM studies of a single polymer chain

W.Wang, K.A.Kistler, K.Sadeghipour and G.Baran

Phys. Lett. A, 372 (47), 7007-7010, (2008)

DOI: 10.1016/j.physleta.2008.10.041

Engine : COGNAC

Entangled polymer orientation and stretch under large step shear deformations in primitive chain network simulations

K. Furuichi, C. Nonomura, Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci

Rheologica Acta 47(5-6), 591-599 (2008)

DOI: 10.1007/s00397-008-0258-3

Engine : NAPLES

Comparison among Slip-Link Simulations of Bidisperse Linear Polymer Melts

Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci,

Macromolecules 41(21), 8275-8280 (2008)

DOI: 10.1021/ma800954q

Engine : PASTA / NAPLES

Primitive Chain Network Simulations of Conformational Relaxation for Individual Molecules in the Entangled State

Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci

NIHON REOROJI GAKKAISHI (Journal of the Society of Rheology, Japan) 36 (4), 181-185 (2008)

DOI: 10.1678/rheology.36.181

Engine : NAPLES

Statics, linear and nonlinear dynamics of entangled polystyrene melts simulated through the primitive chain network model

T. Yaoita, T. Isaki, Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco, G. Marrucci

J Chem Phys 128, [154901]1-11 (2008)

DOI: 10.1063/1.2899653

Engine : NAPLES

A molecular dynamics simulation study on polymer networks of end-linked flexible or rigid chains

N. Hosono, Y. Masubuchi, H. Furukawa and T. Watanabe

J. Chem. Phys. 127 (16), [164905]1-9 (2008)

DOI: 10.1063/1.2790007

Engine : COGNAC

Quantitative comparison of primitive chain network simulations with literature data of linear viscoelasticity for polymer melts

Y. Masubuchi, G. Ianniruberto, F. Greco and G. Marrucci

J. Non-Newtonian Fluid Mech. 149(1-3), 87-92 (2008)

DOI: 10.1016/j.jnnfm.2007.02.014

Engine : NAPLES

Simulating (electro)hydrodynamic effects in colloidal dispersions:Smoothed profile method

Y. Nakayama, K. Kim and R. Yamamoto

Eur. Phys. J. E (2008) 26: 361-368

DOI: 10.1140/epje/i2007-10332-y

Engine : KAPSEL

A Numerical Model for Brownian Particles Fluctuating in Incompressible Fluids

T. Iwashita, Y. Nakayama and R. Yamamoto

J. Phys. Soc. Jpn. 77 (2008) 074007(6 Pages)

DOI: 10.1143/JPSJ.77.074007

Engine : KAPSEL

The Energetics of Large Deformations of a Single Polyimide Molecular Chain: DFT and MO Calculations.

Akinori Fujinami,Shigenobu Ogat,Hajime Kimizuka and Yoji Shibutani

Macromolecular Theory and Simulations 17.9 (2008): 488-495.

DOI: 10.1002/mats.200800058

Engine : COGNAC

Effect of chain conformational change on micelle structures: experimental studies and molecular dynamics simulations.

Ding W., Lin S., Lin J. and Zhang L.

The Journal of Physical Chemistry B 112.3 (2008): 776-783.

DOI: 10.1021/jp076939p

Engine : COGNAC

Coverage Analysis of Molecularly Thin Lubricant Films Using Molecular Dynamics Simulations and CAICISS Measurements.

Ikai Y., Nakamura N., Chiba H. and Imamura T.

IEEE Transactions on 44.11 (2008): 3645-3648.

DOI: 10.1109/TMAG.2008.2001596

Engine : COGNAC

From molten salts to ionic liquids: effect of ion asymmetry and charge distribution.

Marco Malvaldi and Cinzia Chiappe

Journal of Physics: Condensed Matter 20.3 (2008): 035108.

DOI: 10.1088/0953-8984/20/03/035108

Engine : COGNAC

Microstructural observation and simulation of micro damage evolution of ternary polypropylene blend with ethylene-propylene-rubber (EPR) and talc.

Hiroyuki MAE, Masaki OMIYA and Kikuo KISHIMOTO

Journal of Solid Mechanics and Materials Engineering 2.8 (2008): 1018-1036.

DOI: 10.1299/jmmp.2.1018

Engine : COGNAC / SUSHI

Effects of morphology and interfacial strength on mechanical properties of ternary polypropylene blends with ethylene-propylene-rubber (EPR) and talc: molecular dynamics study.

Mae Hiroyuki, Masaki Omiya and Kikuo Kishimoto.

Journal of Solid Mechanics and Materials Engineering 2.11 (2008): 1369-1388.

DOI: 10.1299/jmmp.2.1369

Engine : COGNAC

Transition in Domain Morphology of Block Copolymers Undergoing Polymerization.

You Iida, Toshihiro Kawakatsu, Ryouhei Motoawa, Satoshi Koizumi and Takeji Hashimoto

Macromolecules 41.24 (2008): 9722-9726.

DOI: 10.1021/ma8020322

Engine : SUSHI

Proceedings of International symposium on Meso-scale Dynamics on Interface 2008 (MDOI-2008)

T.Aoyagi

Primitive Chain Network Simulations for Particle Dispersed Polymers

Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci,

AIP Conf. Proc. 1027, 375 (2008)

DOI: 10.1063/1.2964697

Engine : NAPLES

Kinetic Pathway of Gyroid-to-Cylinder Transition in Diblock Copolymer Melt under an Electric Field

D.Q.Ly, T.Honda, T.Kawakatsu and A.V.Zvelindovsky

Macromolecules, 40 (8), 2928-2935 (2007)

DOI: 10.1021/ma061875m

Engine : SUSHI

Molecular Dynamics Study of the Adhesion between End-Grafted Polymer Films II -Effect of Grafting Density-

H. Morita, H. Miura, M. Yamada, T. Yamaguchi and M. Doi

Polymer J. 39(1), 73-80, (2007)

DOI: 10.1295/polymj.PJ2006095

Engine : COGNAC

Brownian Molecular Dynamics Simulation on Self-Assembly Behavior of Rod Coil Diblock Copolymers

S.Lin, N.Numasawa, T.Nose and J.Liu

Macromolecules, 40 (5), 1684-1692 (2007)

DOI: 10.1021/ma062064l

Engine : COGNAC

Computer simulations of nano-scale phenomena based on the dynamic density functional theories: Applications of SUSHI in the OCTA system

T. Honda and T. Kawakatsu

Nanostructured Soft Matter, 3, 461-493, (2007)

DOI: 10.1007/978-1-4020-6330-5_15

Engine : SUSHI

Hybrid Dynamic Density Functional Theory for Polymer Melts and Blends

T. Honda and T. Kawakatsu

Macromolecules, 40 (4), 1227-1237 (2007)

DOI: 10.1021/ma0620464

Engine : SUSHI

Primitive chain network simulations of damping functions for shear, uniaxial, biaxial and planar deformations

K. Furuichi, C. Nonomura, Y. Masubuchi, G. Ianniruberto, F. Greco and G. Marrucci

NIHON REOROJI GAKKAISHI (Journal of the Society of Rheology, Japan) 35 (2), 73-77 (2007)

DOI: 10.1678/rheology.35.73

Engine : NAPLES

Chain Conformation Analysis of the Adhesion between Grafted Polymer Films and their Glass Transition TemperaturesMay. 28, 2018

Hiroshi Morita

KOBUNSHI RONBUNSHU, Vol. 64 (2007) No. 8 P 516-524

DOI: 10.1295/koron.64.516

Engine : COGNAC

Simulation of the Inclusion Complex Formation between Cyclodextrin and Polymer ChainMay. 28, 2018

Naohito URAKAMI, Junko IMADA, Chihiro FUJIOKA, Takashi YAMAMOTO

KOBUNSHI RONBUNSHU, Vol. 64 (2007) No. 5 P 280-285

DOI: 10.1295/koron.64.280

Engine : COGNAC

Coarse-grained molecular dynamic simulations for lyotropic liquid-crystalline solutions of semiflexible rod-like molecules.

Shaoliang Lin,Naoko Numasawa,Takuhei Nose and Jiaping Lin

Molecular Crystals and Liquid Crystals 466.1 (2007): 53-76.

DOI: 10.1080/15421400701246309

Engine : COGNAC

Odd-even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: A molecular dynamic study.

Capar Mine Ilk and Emine Cebe

Journal of computational chemistry Oct.28(13): 2140-2146.

DOI: 10.1002/jcc.20704

Engine : COGNAC

Equilibrium dynamics of an associating polymer melt in narrow slits by computer simulation.

Malvaldi M., Bruzzone S., Raos G. and Allegra G.

The Journal of Physical Chemistry B 111.16 (2007): 4141-4149.

DOI: 10.1021/jp0687596

Engine : COGNAC

Some Application Studies of the Rubber Materials by Coarse-grained Molecular Dynamics SimulationMay. 28, 2018

Hiroshi Morita

NIPPON GOMU KYOKAISHI, Vol. 80 (2007) No. 9 P 350-355

DOI: 10.2324/gomu.80.350

Engine :

Coarse-Grained Molecular Dynamics Simulation of Polymer

Takeshi AOYAGI

Kobunshi, Vol. 56 (2007) No. 12 P 1000

DOI: 10.1295/kobunshi.56.1000

Molecular dynamics simulation of characteristics of polymer matrices in nanocomposites.

Sawa, F.; Imai, T.; Ozaki, T ; Shimizu, T.

Electrical Insulation and Dielectric Phenomena, 2007. CEIDP 2007. Annual Report-Conference on. IEEE, 2007.

DOI: 10.1109/CEIDP.2007.4451514

Mesoscopic Morphology of Proton-Conducting Polyelectrolyte Membranes of Nafion® Type: A Self-Consistent Mean Field Simulation

D.Y.Galperin and A.R.KhoKhlov

Macromol.Theory Simul., 15, 137 (2006)

DOI: 10.1002/mats.200500059

Engine : SUSHI

Computational Experiments on Filled Rubber Viscoelasticity: What Is the Role of Particle-Particle Interactions?

G.Raos, M.Moreno and S.Elli

Macromolecules, 39 (19), 6744-6751 (2006)

DOI: 10.1021/ma061008h

Engine : COGNAC

Study of the Glass Transition Temperature of Polymer Surface by Coarse-grained Molecular Dynamics Simulation

H. Morita, K. Tanaka, T. Kajiyama, T. Nishi and M. Doi

Macromolecules 39, 6233-6237, (2006).

DOI: 10.1021/ma052632h

Engine : COGNAC

Epitaxial Transition from Gyroid to Cylinder in a Diblock Copolymer Melt

T. Honda and T. Kawakatsu

Macromolecules, 39, 2340-2349 (2006)

DOI: 10.1021/ma052075z

Engine : SUSHI

Crystallization of helical oligomers with chirality selection. I. A molecular dynamics simulation for bare helix

T.Yamamot

J. Chem. Phys.125, 064902(2006)

DOI: 10.1063/1.2234475

Engine : COGNAC

Primitive Chain Network Model for Block Copolymers

Y. Masubuchi, G. Ianniruberto, F. Greco and G. Marrucci

J. Non-Crystal. Solids, 352, 5001-5007 (2006)

DOI: 10.1016/j.jnoncrysol.2006.01.144

Engine : NAPLES

Biased Hooking for Primitive Chain Network Simulations of Block Copolymers

Y. Masubuchi, G. Ianniruberto, F. Greco and G. Marrucci

Korea-Australia Rheol. J. 18(2), 99-102 (2006)

Engine : NAPLES

Dynamics of relaxation of entangled polymers in shear flow

S. Bruzzone and M. Malvaldi

J. Chem. Phys. 125, 064909 (2006)

DOI: 10.1063/1.2244552

Engine : NAPLES

Direct Numerical Simulations of Electrophoresis of Charged Colloids

K. Kim, Y. Nakayama and R. Yamamoto

Phys. Rev. Lett. 96, 208302

DOI: 10.1103/PhysRevLett.96.208302

Engine : KAPSEL

Calculation of disjoining pressure for lubricant films via molecular simulation.

Satoru Izumisawa and Jhon S. Myung

Magnetics, IEEE Transactions on 42.10 (2006): 2543-2545.

DOI: 10.1109/TMAG.2006.880460

Engine : COGNAC

Molecular dynamic study of the odd-even effect in some 4-n-alkyl-4'-cyanobiphenyls.

Mine Ilk Capar and Emine Cebe

Physical Review E 73.6 (2006): 061711.

DOI: 10.1103/PhysRevE.73.061711

Engine : COGNAC

Molecular Dynamics Study of the Adhesion between End-grafted Polymer Films

H.Morita, M.Yamada, T.Yamaguchi and M.Doi

Polym.J., 37, 782 (2005)

DOI: 10.1295/polymj.37.782

Engine : COGNAC

Structure of an Associating Polymer Melt in a Narrow Slit by Molecular Dynamics Simulation

M.Malvaldi, G.Allegra, F.Ciardelli and G.Raos

J.Phys.Chem.B, 109, 18117-18126 (2005)

DOI: 10.1021/jp052566l

Engine : COGNAC

Molecular-dynamics simulation of crystallization in helical polymers

T.Yamamoto and K.Sawada

J.Chem.Phys., 123, 234906 (2005)

DOI: 10.1063/1.2137715

Engine : COGNAC

Molecular dynamics modeling of polymer crystallization; from simple polymers to helical ones

T.Yamamoto, N.Orimi, N.Urakami and K.Sawada

Faraday Discussion 128, 75 (2005)

DOI: 10.1039/B406069E

Engine : COGNAC

Simulation method to resolve hydrodynamic interactions in colloidal dispersions

Y. Nakayama and R. Yamamoto

Phys. Rev. E 71, 036707(2005)

DOI: 10.1103/PhysRevE.71.036707

Engine : KAPSEL

Structural Analysis of Soft Matters Using Three Dimensional Virtual Imaging ExperimentsMay. 28, 2018

Hiroshi MORITA, Hiroshi JINNAI, Toshio NISHI, Masao DOI

KOBUNSHI RONBUNSHU, Vol. 62 (2005) No. 10 P 502-507

DOI: 10.1295/koron.62.502

Engine : COGNAC / SUSHI

Structure of model telechelic polymer melts by computer simulation.

Carlo Manassero,Guido Rao and Giuseppe Allegra

Journal of Macromolecular Science, Part B: Physics 44.6 (2005): 855-871.

DOI: 10.1080/00222340500364759

Engine : COGNAC

Composition dependence of ordered structures in mixed micellar aqueous solutions of hydrophobically modified poly (ethylene glycol) s.

Kenichi Iizuka,Naoko Numasawa,Kazuyuki Hiraoka,Ritsuko Yamazaki and Takuhei Nose

Journal of Polymer Science Part B: Polymer Physics 43.18 (2005): 2474-2483.

DOI: 10.1002/polb.20531

Engine : SUSHI

Phase Separated Structures in a Binary Blend of Diblock Copolymers under an Extensional Force Field --- Helical Domain Structure ---.

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

J. Phys. Soc. Jpn. 73(5) 1371 (2004)

DOI: 10.1143/JPSJ.73.1371

Engine : SUSHI

Molecular dynamics simulation study on the phase bahavior of the Gay-Berne model with a terminal dipole and a flexible tail.

H. Fukunaga, J. Takimoto and M. Doi

J. Chem. Phys, 120(16), 7792-7800 (2004)

DOI: 10.1063/1.1687681

Engine : COGNAC

Study of Nanorheology and Nanotribology by Coarse-grained Molecular Dynamics Simulation

H.Morita, T.Ikehara, T.Nishi and M.Doi

Polym.J., 36, 265 (2004),

DOI: 10.1295/polymj.36.265

Engine : COGNAC

Effects of guest poly(ethyleneglycol) homopolymer on the order-to-disorder transition of hydrophobically modified poly(ethyleneglycol) (C12E25) micellar solution: PEG molecular weight dependence and SCF simulation

R.Yamazaki, N.Numasawa and T.Nose

Polymer, 45 (18), 6227-6234 (2004)

DOI: 10.1016/j.polymer.2004.05.013

Engine : SUSHI

Highly Entangled Polymer Primitive Chain Network Simulations based on Dynamic Tube Dilation

T. Yaoita, T. Isaki, Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci

J. Chem. Phys., 121,12650-12654 (2004)

DOI: 10.1063/1.1819311

Engine : NAPLES

Primitive Chain Network Simulations on Dielectric Relaxation of Linear Polymers under Shear Flow

Y. Masubuchi, H. Watanabe, G. Ianniruberto, F. Greco and G. Marrucci,

NIHON REOROJI GAKKAISHI (Journal of the Society of Rheology, Japan), 32(4), 197-202(2004)

DOI: 10.1678/rheology.32.197

Engine : NAPLES

Molecular Simulations of Longtime Behavior of Entangled Polymeric Liquids by the Primitive Chain Network Model

Y. Masubuchi, G. Ianniruberto, F. Greco and G. Marrucci

Modelling Simulation Mat. Sci. Eng., 12, S91-S100, (2004)

DOI: 10.1088/0965-0393/12/3/S03

Engine : NAPLES

Concentration distribution of the end segment of the bimodal polymer blend in thin films by mean field theory. May. 28, 2018

Shigeru Yao and Tatsuya Shoji

Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan), 32.3 (2004): 117-122.

DOI: 10.1678/rheology.32.117

Engine : SUSHI

Primitive chain network model for entangled polymer blends

Y. Masubuchi, J. I. Takimoto, M. Doi, G. Ianniruberto, F. Greco and G. Marrucci

SLOW DYNAMICS IN COMPLEX SYSTEMS: 3rd International Symposium on Slow Dynamics in Complex Systems. AIP Conference Proceedings, Volume 708, pp. 261-262 (2004).

DOI: 10.1063/1.1764134

Engine : NAPLES

Entanglement molecular weight and frequency response of sliplink networks

Y. Masubuchi, G. Ianniruberto, F. Greco and G. Marrucci

J. Chem. Phys., 119 ,6925-6930 (2003)

DOI: 10.1063/1.1605382

Engine : NAPLES

Proceedings of the ICCAP 2001

T. Kawakatsu M. Doi, Iwakura, ed.

Yamagata Japan (2003)

Engine : SUSHI

Competition between Micro- and Macro-Phase Separations in a Binary Mixture of Block Copolymers --- A Dynamic Density Functional Study ---

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

Macromolecules 35, 7473 (2002)

DOI: 10.1021/ma0203997

Engine : SUSHI

A course-graining procedure for flexible polymer chains with bonded and nonbonded interactions

H. Fukunaga, J. Takimoto and M. Doi

J. Chem. Phys., 116(18), pp.8183-8190 (2002)

DOI: 10.1063/1.1469609

Engine : COGNAC

A general-purpose coarse-grained molecular dynamics program

Aoyagi T, Sawa F, Shoji T, Fukunaga H, Takimoto J and Doi M

Comp. Phys. Comm., 145 (2): 267-279 (2002)

DOI: 10.1016/S0010-4655(02)00271-0

Engine : COGNAC

Microstructural studyof mechaniacal pproperties of the ABA triblock copolymer using self-consistent field and molecular dynamics

T.Aoyagi, T.Honda and M.Doi

J. Chem. Phys. 117,8153-8161,(2002)

DOI: 10.1063/1.1510728

Engine : COGNAC

Development of Meso-scale Simulator for Polymeric MaterialsMay. 28, 2018

T.Aoyagi, T.Honda, F.Sawa, M.Sasaki and Y.Nishio

NRG., Vol. 30 (2002) No. 5 P 247-252

DOI: 10.1678/rheology.30.247

Engine : COGNAC

Dynamic Density Functional Study on the Structures of Thin Polymer Blend Films with a Free Surface.

H. Morita, T. Kawakatsu and M. Doi

Macromolecules 34, 8777 (2001)

DOI: 10.1021/ma010346+

Engine : SUSHI

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.

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

Macromolecular Chemistry and Physics, 202(9), 1548-1556 (2001)

DOI: 10.1002/1521-3935(20010601)

Engine : SUSHI

Molecuar dynamics study of polymer melt confined between walls

T. Aoyagi, J. Takimoto and M. Doi

J. Chem. Phys., 115(1), pp.552-559 (2001)

DOI: 10.1063/1.1377015

Engine : COGNAC

Effects of low-molecular-weight Additives on Interfacial Tension of Polymer Blends: experiments for poly(dimethylsiloxane)/poly(tetramethyldisiloxanylethylene) + oligo(dimethylsiloxane), and comparison with mean-field calculations.

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

Polymer, 42, 3883-3891 (2001)

DOI: 10.1016/S0032-3861(00)00706-0

Engine : SUSHI

Brownian Simulations of a Network of Reptating Primitive Chains

Y. Masubuchi, J. Takimoto, K. Koyama, G. Ianniruberto, F. Greco and G. Marrucci

J. Chem. Phys, 115(9), 4387-4394 (2001)

DOI: 10.1063/1.1389858

Engine : NAPLES

Simulating Particle Dispersions in Nematic Liquid-Crystal Solvents

R. Yamamoto

Phys. Rev. Lett. 87, 075502

DOI: 10.1103/PhysRevLett.87.075502

Engine : KAPSEL

Parameterization of the Gay-Berne Potential for nCB and Molecular Dynamics Simulation of 5CB

H.Fukunaga, J.Takimoto, T.Aoyagi, T.Shoji, F.Sawa and M.Doi

Mol. Cryst. and Liq. Cryst, 365, 739-746 (2001)

DOI: 10.1080/10587250108025353

Derivation of coarse-grained potential for polyethylene

H.Fukunaga, T.Aoyagi, J.Takimoto and M.Doi

Comput. Phys. Comm., 142, 224-226 (2001)

DOI: 10.1016/S0010-4655(01)00311-3

Proceeding of International Conference on Advanced Polymers and Processing

T.Aoyagi, J.Takimoto and M.Doi

Oct.30-Nov.2, 217 (2001).

Proceeding of International Conference on Advanced Polymers and Processing

K.Yokomizo, H.Kodama, T.Honda, T. Aoyagi, T.Kawakatsu and M.Doi

Oct.30-Nov.2, 231 (2001)

Molecular Dynamics Study of Poly(ethylene oxide) Containing LiI Salt.

F.Sawa, J.Takimoto, T.Aoyagi, H.Fukunaga, T.Shoji and M.Doi

Prog. of Thoret. Phys. Suppl., 138, 408-409 (2000)

DOI: 10.1143/PTPS.138.408

Parameterization of the Gay-Berne Potential for nCB

H.Fukunaga, J.Takimoto, T.Aoyagi, T.Shoji, F.Sawa and M.Doi

Prog. of Thoret. Phys. Suppl., 138, 396-397 (2000)

DOI: 10.1143/PTPS.138.396

Dynamic Mean Field Theory for Mesoscale Polymer Simulations

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

KOBUNSHI RONBUNSHU, Vol. 56 (1999) No. 12 P 762-771

DOI: 10.1295/koron.56.762

Engine : SUSHI