論文 - 永島　浩樹

Molecular Dynamics Study of the Microscopic Mechanical Balance at the Three-Phase Contact Line of Interfacial Nanobubble

Yusuke Jonosono, Shin-ichi Tsuda, Takashi Tokumasu, Hiroki Nagashima

Langmuir ( American Chemical Society )  40 ( 16 ) 8440 - 8449   2024年04月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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Molecular dynamic study of oxygen ion diffusion and grain boundary in SrSc0.1Co0.9O3-δ perovskite solid oxide membrane

Hiroki Nagashima, Ryan Falkenstein-Smith, Jeongmin Ahn, Takashi Tokumasu

Solid State Ionics   399   2023年06月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

Oxygen Ion Conduction Property of Solid Oxide Membrane Based on Multi-scale Analysis

T. Ijichia, H. Nagashima, A. R. Hartwell, J. Ahn, and T. Tokumasu

ECS Transactions   111 ( 6 )   2023年05月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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The evaluation of density and diffusion properties in hydrogen/oxygen mixture modelled by Lennard-Jones fluid

Takumi Ijichia, Shin-ichi Tsuda,Takashi Tokumasu, and Hiroki Nagashima

Molecular Physics     2023年03月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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大型車両用の液体水素容器内の現象解明に向けて

山田英助, 冨岡純一, 永島浩樹

JARI Research Journal ( 日本自動車研究所 )    2022年10月 [ 査読有り ]

掲載種別: 研究論文（大学，研究機関紀要）

Investigation of quantum effect of liquid hydrogen on homogeneous bubble nucleation using a density functional theory and molecular dynamics simulations

Ryuji Takahashi, Hiroki Nagashima, Takashi Tokumasu , Satoshi Watanabe , Shin-ichi Tsuda

Fluid Phase Equilibria     2021年11月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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An evaluation of the self-diffusion coefficient of liquid hydrogen via the generic van der Waals equation of state and modified free volume theory

Nagashima H.

Chemical Physics ( Chemical Physics )  539   2020年11月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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Exploring the performance of dual-phase oxygen transport membranes for carbon capture purposes

FALKENSTEIN-SMITH, Ryan RUSHBY, Matthew NAGASHIMA, Hiroki TOKUMASU, Takashi AHN, Jeongmin

Journal of Fluid Science and Technology     2017年11月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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A molecular dynamics study of nuclear quantum effect on diffusivity of hydrogen molecule

Nagashima, H. Tsuda, S. Tsuboi, N. Hayashi, A. K. Tokumasu, T.

The Journal of Chemical Physics     2017年07月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

A molecular dynamics study of nuclear quantum effect on diffusivity of hydrogen molecule

H. Nagashima, S. Tsuda, N. Tsuboi, A. K. Hayashi, T. Tokumasu

JOURNAL OF CHEMICAL PHYSICS ( AMER INST PHYSICS )  147 ( 2 )   2017年07月 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

　概要を見る

In this paper, the nuclear quantum effect of the hydrogen molecule on its diffusivity was analyzed using the molecular dynamics (MD) method. The centroid MD (CMD) method was applied to reproduce the time evolution of the molecules. The diffusion coefficient of hydrogen was calculated using the Green-Kubo method over a wide temperature region, and the temperature dependence of the quantum effect of the hydrogen molecule on its diffusivity was addressed. The calculated results were compared with classical MD results based on the principle of corresponding state (PCS). It was confirmed that the difference in the diffusion coefficient calculated in the CMD and classical MD methods was small, and the PCS appears to be satisfied on the temperature dependence of the diffusion coefficient, even though the quantum effect of the hydrogen molecules was taken into account. It was clarified that this result did not suggest that the quantum effect on the diffusivity of the hydrogen molecule was small but that the two changes in the intermolecular interaction of hydrogen due to the quantum effect offset each other. Moreover, it was found that this tendency was related to the temperature dependence of the ratio of the kinetic energy of the quantum fluctuational motion to the classical kinetic energy. Published by AIP Publishing.

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An analysis of quantum effect on the proton conduction in BaZrO 3 membrane H. Nagashima

H. Nagashima and T. Tokumasu

ECS Transactions     2017年 [ 査読有り ]

掲載種別: 研究論文（国際会議プロシーディングス）

An analysis of quantum effect on the proton conduction in BaZrO<inf>3</inf> membrane

Nagashima H.

ECS Transactions ( ECS Transactions )  80 ( 9 ) 119 - 126   2017年 [ 査読有り ]

掲載種別: 研究論文（学術雑誌）

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J0540302 分子シミュレーションによる液体水素内の気泡初生に及ぼす量子性の影響の検討

片山 千春, 永島 浩樹, 徳増 崇, 渡邉 聡, 津田 伸一

年次大会 ( 一般社団法人日本機械学会 )  2015 ( 0 ) _J0540302 - -_J0540302-   2015年

掲載種別: 研究論文（学術雑誌）

　概要を見る

Recently, application of hydrogen energy has been expanded. For more safe and efficient use of hydrogen, study of bubble nucleation in liquid hydrogen is necessary. Various studies already have reported the quantum nature effects on thermodynamic and transport properties. Therefore, it is expected that quantum nature also influences bubble nucleation. We reproduced quantum liquid hydrogen using path integral centroid Molecular Dynamics (MD) method and also simulated virtual classical liquid hydrogen with classical MD. First, we compared the energy barrier for bubble nucleation and the critical bubble size using Classical Nucleation Theory. Next, we investigated quantity of void in both fluids with local density function. In consequence, it is suggested that quantum nature affects bubble nucleation, and quantum hydrogen is difficult to create a bubble nucleus than classical hydrogen.

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J0540307 二原子分子流体の臨界点近傍における静的・動的ゆらぎ構造の分子動力学的解析

井川 祥平, 永島 浩樹, 坪井 伸幸, 徳増 崇, 津田 伸一

年次大会 ( 一般社団法人日本機械学会 )  2015 ( 0 ) _J0540307 - -_J0540307-   2015年

掲載種別: 研究論文（学術雑誌）

　概要を見る

In our study, we investigated fluctuation structure of diatomic fluids around the critical point. We used molecular dynamics simulation to evaluate the principle of corresponding state of fluctuation structure of 2-center-Lennard-Jones fluid which has molecular elongation as a parameter. We evaluated the static fluctuation structure by calculating dispersion of number of molecules at divided cells and static structure factor. As results, the principle of corresponding state on the static fluctuation structure is satisfied because static fluctuation structure does not have dependence on molecular elongation. On the other hand, dynamic fluctuation structure of fluid which has longer molecular elongation disagrees with dynamic fluctuation structure of fluid which has shorter molecular elongation. Therefore, it was found that the principle of corresponding state of dynamic fluctuation structure might not be satisfied.

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An Analysis of Quantum Effects on the Thermodynamic Properties of Cryogenic Hydrogen Using the Path Integral Method

H. Nagashima, S. Tsuda, N. Tsuboi, M. Koshi, A. K. Hayashi, and T. Tokumasu

Journal of Chemical Physics ( American Institute of Physics )  140 ( 13 ) 134506   2014年04月

掲載種別: 研究論文（学術雑誌）

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経路積分セントロイド分子動力学法による水素の量子性がp-V-T関係に与える影響の解析

永島浩樹，津田伸一，坪井伸幸，越光男，林光一，徳増崇

日本機械学会論文集B編 ( 日本機械学会 )  79 ( 805 ) 1848   2013年04月

掲載種別: 研究論文（学術雑誌）

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Limits of Classical Molecular Simulation on the Estimation of Thermodynamic Properties of Cryogenic Hydrogen

H. Nagashima, T. Tokumasu, S. Tsuda, N. Tsuboi, M. Koshi, and A. K. Hayashi

Molecular simulation ( Taylor and Francis )  38 ( 5 ) 404   2012年08月

掲載種別: 研究論文（学術雑誌）

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