2017 Paper
New Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane
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
2016 Paper
  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
  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 V.22(2015), 216?228
DOI:10.1016/j.orgel.2015.03.049
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 study
Noriyoshi Arai, Yuki Yoshimoto, Kenji Yasuoka and Toshikazu Ebisuzaki
Phys. Chem. Chem. Phys., 2016,18, 19426-19432
DOI: 10.1039/C6CP02380K
Engine:COGNAC
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
Engine:COGNAC
A Molecular Dynamics for the Interfacial Strength between Carbon Fiber and Phenolic Resin
Takashi NIUCHI, Jun KOYANAGI, Ryo INOUE, and Yasuo KOGO
Journal of the Japan Society for Composite Materials 42(2), 59-66, 2016
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
Engine:COGNAC
Numerical Simulation of Thermo-Viscoelastic Behavior of Polypropylene by Molecular Dynamics
Tomoya KAGEYAMA, Jun KOYANAGI, Ryota KITAMURA and Shinji OGIHARA
Journal of the Japan Society for Composite Materials 42(2), 82-87, 201
Engine:COGNAC
2016 Review
  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
2016 Proceeding
  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
2015 Paper
  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
  Molecular dynamics simulation for shape change of water-in-oil droplets.
Naohito Urakami, Akio Takaki, Masayuki Imai and Takashi Yamamoto
Molecular Simulation 41.10-12 (2015): 986-992.
DOI:10.1080/08927022.2014.931582
Engine:COGNAC
  Multi-scale Modeling of Degradation Behavior for Crystalline Polymer
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 COGNAC
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 Mixtures
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
2015 Review
  Multiscale Simulation Technology and Software for Soft Matter.
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
2015 Proceeding
  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
2014 Paper
New Applicable Simulation Methods for Directed Self-Assembly - Advantages and Disadvantages of these methods
Hiroshi Morita
Journal of Photopolymer Science and Technology Vol. 26(2013) No. 6 p. 801-807
DOI:10.2494/photopolymer.26.801
Engine:COGNAC, SUSHI
New Simulation Analysis of Directed Self-Assembly for Hole Multiplication in Guide Pattern
M. Muramatsu, T. Nakano, T. Tomita, K. Yamamoto, K. Matsuzaki and T. Kitano
SPIE 9049, Alternative Lithographic Technologies VI, 904921
DOI:10.1117/12.2045865
Engine:COGNAC
New 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 dynamics
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-polymer
K.Takagi, S.Murayama, T.Sakai, M.Asai, T.Santa and M.Kato
Soft Matter, 10, 3553 (2014)
DOI: 10.1039/C3SM52908H
Engine: COGNAC
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
Molecular dynamics simulation for shape change of water-in-oil droplets.
Naohito Urakami,Akio Takaki,Masayuki Imai and Takashi Yamamoto
Molecular Simulation ahead-of-print (2014): 1-7.
DOI: 10.1080/08927022.2014.931582
Engine: COGNAC
Polymer-Filler Interphase Dynamics and Reinforcement of Elastomer Nanocomposites.
Fleck, F., V. Froltsov and M. Klüppel.
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
2014 Review
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
2014 Proceeding
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
2013 Paper
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 resins
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
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: http://dx.doi.org/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
2013 Proceeding
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
2012 Paper
Atomistic molecular dynamics study of cross-linked phenolic resins
A.Izumi, T.Nakao and M.Shibayama
Soft Matter, 8, 5283-5292 (2012)
DOI: 10.1039/C2SM25067E
Engine: COGNAC
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 Klüppel and Guido Raos
Phys. Rev. E 86, 041801
DOI: 10.1103/PhysRevE.86.041801
Engine: COGNAC
2012 Proceeding
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
2011 Paper
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
2011 Proceeding
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
2010 Paper
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
2010 Proceeding
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
2009 Paper
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 Nanotribology
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
Investigation of the Microscopic Viscoelastic Property for Cross-linked Polymer Network by Molecular Dynamics Simulation
Y.Masumoto and Y.Iida
Tire Science and Technology, Vol.39, 44-58, (2009)
DOI: 10.2346/1.3555178
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
2009 Review
Coarse-grained Simulation Study for the Surface and Interface of the Polymeric Materials
Hiroshi Morita
NIPPON GOMU KYOKAISHI, Vol. 82 (2009) No. 11 P 472-477
DOI:10.2324/gomu.82.472
2008 Paper
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: NAPLES, PASTA
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 (J. Soc. Rheol. Jpn) 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: 0.1021/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: SUSHI, COGNAC
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
2008 Proceeding
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
2007 Paper
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 (J. Soc. Rheol. Jpn) 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 Temperatures
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 Chain
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
2007 Review
Some Application Studies of the Rubber Materials by Coarse-grained Molecular Dynamics Simulation
Hiroshi Morita
NIPPON GOMU KYOKAISHI, Vol. 80 (2007) No. 9 P 350-355
DOI:10.2324/gomu.80.350
Coarse-Grained Molecular Dynamics Simulation of Polymer
Takeshi AOYAGI
Kobunshi, Vol. 56 (2007) No. 12 P 1000
DOI:10.1295/kobunshi.56.1000
2007 Proceeding
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
2006 Paper
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
2005 Paper
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 Experiments
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
2004 Paper
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 (J. Soc. Rheol. Jpn), 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.
Shigeru Yao and Tatsuya Shoji
Nihon Reoroji Gakkaishi 32.3 (2004): 117-122.
DOI: 10.1678/rheology.32.117
Engine: SUSHI
2004 Proceeding
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
2003 Paper
Proceedings of the ICCAP 2001
T. Kawakatsu M. Doi, Iwakura, ed.
Yamagata Japan (2003)
Engine: SUSHI
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
2002 Paper
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 Materials
T.Aoyagi, T.Honda, F.Sawa, M.Sasaki and Y.Nishio
J.Soc.Rheol.Japan, 30 (5), 247-252 (2002)
DOI:10.1678/rheology.30.247
2001 Paper
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
K.Yokomizo, H.Kodama, T.Honda, T. Aoyagi, T.Kawakatsu and M.Doi
Oct.30-Nov.2, 231 (2001)
Proceeding of International Conference on Advanced Polymers and Processing
T.Aoyagi, J.Takimoto and M.Doi
Oct.30-Nov.2, 217 (2001).
2000 Paper
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
1999 Paper
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
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