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Coarse-Grained Molecular Dynamics Simulations for Oxidative Aging of Polymers under Various O<sub>2</sub> Concentration

ArXiv
2025 | Journal article
Contributors: Ishida, Takato; Haremaki, Kazuya; Koide, Yusuke; Uneyama, Takashi; Masubuchi, Yuichi
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Prediction of induced fluxes in reverse nonequilibrium molecular dynamics

The Journal of Chemical Physics
2025 | Journal article
Contributors: Oishi, Tatsuma; Koide, Yusuke; Ishida, Takato; Masubuchi, Yuichi; Uneyama, Takashi
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Brownian simulations for fracture of star polymer phantom networks

Polymer Journal
2024 | Journal article
Contributors: Masubuchi, Yuichi; Koide, Yusuke; Ishida, Takato; Uneyama, Takashi
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Brownian simulations for fracture of star polymer phantom networks

ArXiv
2024 | Journal article
Contributors: Masubuchi, Yuichi; Koide, Yusuke; Ishida, Takato; Uneyama, Takashi
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Brownian Yet Non-Gaussian Diffusion of a Light Particle in Heavy Gas: Lorentz Gas Based Analysis

ArXiv
2024 | Journal article
Contributors: Nakai, Fumiaki; Uneyama, Takashi
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Coarse-grained molecular dynamics simulation of oxidative aging of polymers -effect of free radical diffusivity -

Polymer Journal
2024 | Journal article
Contributors: Ishida, Takato; Doi, Yuya; Uneyama, Takashi; Masubuchi, Yuichi
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Coarse-Grained Simulation Model for Crystalline Polymer Solids by using Breakable Bonds

ArXiv
2024 | Journal article
Contributors: Uneyama, Takashi
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Coarse-Grained Simulation Model for Crystalline Polymer Solids by Using Breakable Bonds

The Journal of Physical Chemistry B
2024 | Journal article
Contributors: Uneyama, Takashi
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Comparison of Linear Viscoelastic Behaviors of Langevin- and Jump-Rouse Models

Nihon Reoroji Gakkaishi
2024 | Journal article
Contributors: Uneyama, Takashi
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Dislocation Glides in Granular Media

ArXiv
2024 | Journal article
Contributors: Nakai, Fumiaki; Uneyama, Takashi; Sasaki, Yuto; Yoshii, Kiwamu; Katsuragi, Hiroaki
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Dissipative particle dynamics simulation plus slip-springs for entangled polymers with various slip-spring densities

ArXiv
2024 | Journal article
Contributors: Masubuchi, Yuichi; Guo, Hong-Xia; Wang, Fan; Khomami, Bamim; Boudaghi-Khajehnobar, Mahdi; Doi, Yuya; Ishida, Takato; Uneyama, Takashi
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Dissipative Particle Dynamics Simulation Plus Slip-Springs for Entangled Polymers with Various Slip-Spring Densities

Macromolecules
2024 | Journal article
Contributors: Masubuchi, Yuichi; Guo, Hongxia; Wang, Fan; Khomami, Bamin; Boudaghi-Khajehnobar, Mahdi; Doi, Yuya; Ishida, Takato; Uneyama, Takashi
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Effect of Mass on Single File Diffusion

Nihon Reoroji Gakkaishi
2024 | Journal article
Contributors: Nakai, Fumiaki; Uneyama, Takashi
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Effect of Surface Treatment for Iron Particles with Excessive Amounts of Silane Coupling Agent on Rheological Properties of Magnetorheological Fluids

Nihon Reoroji Gakkaishi
2024 | Journal article
Contributors: Yamawaki, Yuya; Ishida, Takato; Doi, Yuya; Uneyama, Takashi; Masubuchi, Yuichi
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Extension of moving particle simulation by introducing rotational degrees of freedom for dilute fiber suspensions

International Journal for Numerical Methods in Fluids
2024 | Journal article
Contributors: Enomoto, Keigo; Ishida, Takato; Doi, Yuya; Uneyama, Takashi; Masubuchi, Yuichi
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Normal Modes of Rouse-Ham Symmetric Star Polymer Model

Nihon Reoroji Gakkaishi
2024 | Journal article
Contributors: Uneyama, Takashi
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Normal Modes of Rouse-Ham Symmetric Star Polymer Model

ArXiv
2024 | Journal article
Contributors: Uneyama, Takashi
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Phantom chain simulations for fracture of star polymer networks with various strand densities

ArXiv
2024 | Journal article
Contributors: Masubuchi, Yuichi; Ishida, Takato; Koide, Yusuke; Uneyama, Takashi
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Phantom chain simulations for the fracture of star polymer networks with various strand densities

Soft Matter
2024 | Journal article
Contributors: Masubuchi, Yuichi; Ishida, Takato; Koide, Yusuke; Uneyama, Takashi
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Radius of Gyration in Shear Gradient Direction Governs Steady Shear Viscosity of Rouse-Type Model

ArXiv
2024 | Journal article
Contributors: Uneyama, Takashi
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Reverse Nonequilibrium Molecular Dynamics Simulations of a Melt of Kremer-Grest Type Model under Fast Shear

Journal of Chemical Theory and Computation
2024 | Journal article
Contributors: Oishi, Tatsuma; Koide, Yusuke; Ishida, Takato; Uneyama, Takashi; Masubuchi, Yuichi; Muller-Plathe, Florian
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A Multi-Chain Slip-Spring Model without the Slip-Spring Degeneracy

Nihon Reoroji Gakkaishi
2023 | Journal article
Contributors: Masubuchi, Yuichi; Doi, Yuya; Ishida, Takato; Uneyama, Takashi
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Brownian yet non-Gaussian diffusion of a light particle in heavy gas: Lorentz-gas-based analysis

Physical Review E
2023 | Journal article
Contributors: Nakai, Fumiaki; Uneyama, Takashi
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Comparison of Linear Viscoelastic Behaviors of Langevin- and Jump-Rouse Models

ArXiv
2023 | Journal article
Contributors: Uneyama, Takashi
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Effects of attractive inter-particle interaction on cross-transport coefficient between mass and heat in binary fluids

ArXiv
2023 | Journal article
Contributors: Oishi, Tatsuma; Doi, Yuya; Uneyama, Takashi; Masubuchi, Yuichi
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Effects of attractive inter-particle interaction on cross-transport coefficient between mass and heat in binary fluids

Molecular Simulation
2023 | Journal article
Contributors: Oishi, Tatsuma; Doi, Yuya; Masubuchi, Yuichi; Uneyama, Takashi
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Estimating relaxation times from a single trajectory

ArXiv
2023 | Journal article
Contributors: Akimoto, Takuma; Yamamoto, Eiji; Uneyama, Takashi
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Estimating Relaxation Times from a Single Trajectory

Journal of the Physical Society of Japan
2023 | Journal article
Contributors: Akimoto, Takuma; Yamamoto, Eiji; Uneyama, Takashi
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Fluctuating diffusivity emerges even in binary gas mixtures

Physical Review E
2023 | Journal article
Contributors: Nakai, Fumiaki; Masubuchi, Yuichi; Doi, Yuya; Ishida, Takato; Uneyama, Takashi
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Increase in rod diffusivity emerges even in Markovian nature

Physical Review E
2023 | Journal article
Contributors: Nakai, Fumiaki; Kroger, Martin; Ishida, Takato; Uneyama, Takashi; Doi, Yuya; Masubuchi, Yuichi
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Modeling for Heterogeneous Oxidative Aging of Polymers Using Coarse-Grained Molecular Dynamics

Macromolecules
2023 | Journal article
Contributors: Ishida, Takato; Doi, Yuya; Uneyama, Takashi; Masubuchi, Yuichi
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Percolation-induced gel-gel phase separation in a dilute polymer network

Nature Materials
2023 | Journal article
Contributors: Ishikawa, Shohei; Iwanaga, Yasuhide; Uneyama, Takashi; Li, Xiang; Hojo, Hironori; Fujinaga, Ikuo; Katashima, Takuya; Saito, Taku; Okada, Yasushi; Chung, Ung-il et al.
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Phantom Chain Simulations for the Fracture of Energy-Minimized Tetra- and Tri-Branched Networks

Macromolecules
2023 | Journal article
Contributors: Masubuchi, Yuichi; Doi, Yuya; Ishida, Takato; Sakumichi, Naoyuki; Sakai, Takamasa; Mayumi, Koichi; Uneyama, Takashi
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Phantom-Chain Simulations for the Effect of Node Functionality on the Fracture of Star-Polymer Networks

Macromolecules
2023 | Journal article
Contributors: Masubuchi, Yuichi; Doi, Yuya; Ishida, Takato; Sakumichi, Naoyuki; Sakai, Takamasa; Mayumi, Koichi; Satoh, Kotaro; Uneyama, Takashi
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Preparation and characterization of two-dimensional sheet-shaped poly(methyl methacrylate) synthesized via γ-ray polymerization in nanoclay template

Polymer Journal
2023 | Journal article
Contributors: Doi, Yuya; Hara, Mitsuo; Seki, Takahiro; Takano, Atsushi; Ishida, Takato; Uneyama, Takashi; Masubuchi, Yuichi
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Analysis of Elongational Viscosity of Entangled Poly (Propylene Carbonate) Melts by Primitive Chain Network Simulations

Polymers
2022 | Journal article
Contributors: Masubuchi, Yuichi; Yang, Lixin; Uneyama, Takashi; Doi, Yuya
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Application of projection operator method to coarse-grained dynamics with transient potential

Physical Review E
2022 | Journal article
Contributors: Uneyama, Takashi
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Brownian simulations for tetra-gel-type phantom networks composed of prepolymers with bidisperse arm length

Soft Matter
2022 | Journal article
Contributors: Masubuchi, Yuichi; Yamazaki, Ryohei; Doi, Yuya; Uneyama, Takashi; Sakumichi, Naoyuki; Sakai, Takamasa
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Effects of Slip-Spring Parameters and Rouse Bead Density on Polymer Dynamics in Multichain Slip-Spring Simulations

The Journal of Physical Chemistry B
2022 | Journal article
Contributors: Masubuchi, Yuichi; Doi, Yuya; Uneyama, Takashi
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Fluctuating Diusivity Emerges even in Binary Gas Mixtures

ArXiv
2022 | Journal article
Contributors: Nakai, Fumiaki; Masubuchi, Yuichi; Doi, Yuya; Ishida, Takato; Uneyama, Takashi; Uneyama, Takashi
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Linear Response Theory of Scale-Dependent Viscoelasticity for Overdamped Brownian Particle Systems

Nihon Reoroji Gakkaishi
2022 | Journal article
Contributors: Uneyama, Takashi
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Linear Response Theory of Scale-Dependent Viscoelasticity for Overdamped Brownian Particle Systems

ArXiv
2022 | Journal article
Contributors: Uneyama, Takashi
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Nonlinear Shear and Elongational Rheology of Poly(propylene carbonate)

Nihon Reoroji Gakkaishi
2022 | Journal article
Contributors: Yang, Lixin; Uneyama, Takashi; Masubuchi, Yuichi; Doi, Yuya
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Percolation induced gel-gel phase separation in a dilute polymer network

ArXiv
2022 | Journal article
Contributors: Ishikawa, Shohei; Iwanaga, Yasuhide; Uneyama, Takashi; Li, Xiang; Hojo, Hironori; Fujinaga, Ikuo; Katashima, Takuya; Saito, Taku; Chung, Ungil; Sakumichi, Naoyuki et al.
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Primitive Chain Network Simulations for Shear Rheology of Poly(propylene carbonate) Melts

Nihon Reoroji Gakkaishi
2022 | Journal article
Contributors: Masubuchi, Yuichi; Yang, Lixin; Uneyama, Takashi; Doi, Yuya
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Stress Tensor of Single Rigid Dumbbell by Virtual Work Method

ArXiv
2022 | Journal article
Contributors: Uneyama, Takashi; Oishi, Tatsuma; Ishida, Takato; Doi, Yuya; Masubuchi, Yuichi
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Stress Tensor of Single Rigid Dumbbell by Virtual Work Method

Nihon Reoroji Gakkaishi
2022 | Journal article
Contributors: Uneyama, Takashi; Oishi, Tatsuma; Ishida, Takato; Doi, Yuya; Masubuchi, Yuichi
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Viscoelastic properties of comb-shaped ring polystyrenes

Polymer Journal
2022 | Journal article
Contributors: Doi, Yuya; Kitamura, Jinya; Uneyama, Takashi; Masubuchi, Yuichi; Takano, Atsushi; Takahashi, Yoshiaki; Matsushita, Yushu
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Linear Rheological Properties of Poly(Propylene Carbonate) with Different Molecular Weights

Nihon Reoroji Gakkaishi
2021 | Journal article
Contributors: Yang, Lixin; Uneyama, Takashi; Masubuchi, Yuichi; Doi, Yuya
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Linear Viscoelasticity of Dumbbells Interacting via Gaussian Soft-Core Potential

Nihon Reoroji Gakkaishi
2021 | Journal article
Contributors: Uneyama, Takashi
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