原子・分子の流れ

OS.1-4：原子・分子の流れ

Sun. Dec 17, 2023 10:50 AM - 12:30 PM C室 (IB013)

Chair:Takuya Mabuchi(Tohoku University)

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10:50 AM - 11:10 AM

[3306-10-01] Quantification of the effect of pore diameter and porosity to the evaporation from porous array membranes

*Hiroki Imai¹, Ikuya Kinefuchi¹ (1. The University of Tokyo)

11:10 AM - 11:30 AM

[3306-10-02] Lattice DFT Simulation of Water Condensation in a Reconstructed Structure from TEM Images of a Cathode Catalyst Layer

*Clint John Cortes Otic¹, Masazumi Arao², Masashi Matsumoto², Hideto Imai², Ikuya Kinefuchi¹ (1. The University of Tokyo, 2. Fuel Cell Cutting-Edge Research Center Technology Research Association)

11:30 AM - 11:50 AM

[3306-10-03] Event-driven molecular dynamics simulation of a rarefied gas flow driven by an external force: Finite-size effects of molecules

*Ryo Kiyose¹, Satoshi Taguchi¹, Tetsuro Tsuji¹ (1. Graduate School of Informatics, Kyoto University)

11:50 AM - 12:10 PM

[3306-10-04] Nonlinearity and gas-rarefaction effects of a uniform flow past a small sphere

*Yuki Tatsudani¹, Satoshi Taguchi¹, Tetsuro Tsuji¹ (1. Graduate School of Informatics, Kyoto University)

12:10 PM - 12:30 PM

[3306-10-05] Friction coefficient extraction based on the solid-liquid interfacial dissipation in NEMD systems

*Hiroki KUSUDO¹, Haruki Oga², Yasutaka Yamaguchi², Gota Kikugawa¹ (1. Tohoku Univ., 2. Osaka Univ.)

原子・分子の流れ

OS.1-4：原子・分子の流れ

Sun. Dec 17, 2023 1:30 PM - 2:50 PM C室 (IB013)

Chair:Tetsuro Tsuji(Kyoto University)

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1:30 PM - 1:50 PM

[3311-14-01] Coarse-Grained Molecular Dynamics Simulations for Effect of Varying Hydrophobicity in Elastin-like Polypeptides on the Environment Inside Coacervates

*Haruto Takegahara¹, Yasunori Okamoto¹, Kenichi Funamoto¹, Takuya Mabuchi¹ (1. Tohoku University)

1:50 PM - 2:10 PM

[3311-14-02] Molecular simulation of gas solution–diffusion in polyvinylamine/polyvinyl alcohol blend membranes with respect to the effects of water

*Kohei Sato¹, Daisuke Fukumitsu¹, Ikuya Kinefuchi¹ (1. The University of Tokyo)

2:10 PM - 2:30 PM

[3311-14-03] Coarse graining method for atomic system by using available thermostat method

*Toru Yamada¹, Yohei Morinishi¹ (1. Nagoya Institute of Technology)

2:30 PM - 2:50 PM

[3311-14-04] Molecular dynamics study of fluctuation of vapor-liquid interface

*Takeru Yano¹ (1. Osaka University)

原子・分子の流れ

OS.1-4：原子・分子の流れ

Sun. Dec 17, 2023 3:00 PM - 4:20 PM C室 (IB013)

Chair:Toru Yamada(Nagoya Institute of Technology)

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3:00 PM - 3:20 PM

[3315-18-01] Effect of liquid temperature on the anisotropic velocity distribution of molecules from the condensation interface to the gas phase

*Takuro Nagakawa¹, Kotaro Ohashi¹, Kazumichi Kobayashi¹, Hiroyuki Fujii¹, Masao Watanabe¹, Tsuyoshi Totani¹ (1. Hokkaido University)

3:20 PM - 3:40 PM

[3315-18-02] Phase transition behavior of transport property and molecular configuration in an ellipsoidal molecular fluid

*Riichiro Furuhashi¹, Shugo Yasuda¹, Kotaro Oda² (1. University of Hyogo, 2. Daicel Corporation)

3:40 PM - 4:00 PM

[3315-18-03] Molecular dynamics study of water permeation through nanoporous carbon membrane

*Hiroki Nagashima¹, Sora Inafuku¹, Kouryu Gibo¹ (1. University of the Ryukyus)

4:00 PM - 4:20 PM

[3315-18-04] Effect of endohedral functionalization of CNTs on ion transport

*Akihiro Nakamura^1,2, Takashi Tokumasu², Takuya Mabuchi^2,3 (1. Tohoku university , 2. Institute of Fluid Science, 3. Frontier Research Institute for Interdisciplinary Sciences)

原子・分子の流れ

OS.1-4：原子・分子の流れ

Sun. Dec 17, 2023 4:30 PM - 5:50 PM C室 (IB013)

Chair:Hiroki Kusudo(Tohoku University)

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4:30 PM - 4:50 PM

[3319-22-01] Numerical analysis of a rarefied gas flow induced by a plane boundary with a discontinuous temperature profile

*Tetsuro Tsuji¹, Satoshi Taguchi¹ (1. Kyoto University)

4:50 PM - 5:10 PM

[3319-22-02] Molecular dynamics analysis of the distribution of pinning force on the three-phase contact line of a quasi-two-dimensional meniscus

*Yuuki Matsumoto¹, Haruki Oga¹, Carlos Bistafa¹, Yasutaka Yamaguchi¹ (1. Osaka University)

5:10 PM - 5:30 PM

[3319-22-03] Analysis of an NEMD system with steady evaporation around the contact line

*Haruki Takubo¹, Haruki Oga¹, Yasutaka Yamaguchi¹ (1. Osaka University)

5:30 PM - 5:50 PM

[3319-22-04] Reducing variance in near-equilibrium polyatomic molecular rarefied gas flows through the deviational particle method

*Takehiro Shiraishi¹, Ikuya Kinefuchi¹ (1. The University of Tokyo)

Sessions

１．物理モデル：現象のモデリングに関する提案・解析・評価 » OS.1-4：原子・分子の流れ

OS.1-4：原子・分子の流れ

[3306-10-01] Quantification of the effect of pore diameter and porosity to the evaporation from porous array membranes

[3306-10-02] Lattice DFT Simulation of Water Condensation in a Reconstructed Structure from TEM Images of a Cathode Catalyst Layer

[3306-10-03] Event-driven molecular dynamics simulation of a rarefied gas flow driven by an external force: Finite-size effects of molecules

[3306-10-04] Nonlinearity and gas-rarefaction effects of a uniform flow past a small sphere

[3306-10-05] Friction coefficient extraction based on the solid-liquid interfacial dissipation in NEMD systems

OS.1-4：原子・分子の流れ

[3311-14-01] Coarse-Grained Molecular Dynamics Simulations for Effect of Varying Hydrophobicity in Elastin-like Polypeptides on the Environment Inside Coacervates

[3311-14-02] Molecular simulation of gas solution–diffusion in polyvinylamine/polyvinyl alcohol blend membranes with respect to the effects of water

[3311-14-03] Coarse graining method for atomic system by using available thermostat method

[3311-14-04] Molecular dynamics study of fluctuation of vapor-liquid interface

OS.1-4：原子・分子の流れ

[3315-18-01] Effect of liquid temperature on the anisotropic velocity distribution of molecules from the condensation interface to the gas phase

[3315-18-02] Phase transition behavior of transport property and molecular configuration in an ellipsoidal molecular fluid

[3315-18-03] Molecular dynamics study of water permeation through nanoporous carbon membrane

[3315-18-04] Effect of endohedral functionalization of CNTs on ion transport

OS.1-4：原子・分子の流れ

[3319-22-01] Numerical analysis of a rarefied gas flow induced by a plane boundary with a discontinuous temperature profile

[3319-22-02] Molecular dynamics analysis of the distribution of pinning force on the three-phase contact line of a quasi-two-dimensional meniscus

[3319-22-03] Analysis of an NEMD system with steady evaporation around the contact line

[3319-22-04] Reducing variance in near-equilibrium polyatomic molecular rarefied gas flows through the deviational particle method

Authentication