Tohoku University · Advanced Institute for Materials Research · 特任助教

Research keywordsreactive molecular dynamics・tribochemical reactions・diamond-like carbon・cubic iron・supercritical water・body-centered cubic

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• Parameterization of Reactive Force Field for Iron–Water SystemCHEN Qian, XU Jingxiang, OOTANI Yusuke, OZAWA Nobuki, KUBO Momoji
• Coarse-grained molecular dynamics simulation of the effect of cross-linking on the wear mechanism of polymer brushZhongmin Liu, Yusuke Ootani, Shuichi Uehara, Jing Zhang, Qian Chen, Yang Wang, Nobuki Ozawa, Momoji Kubo
• Heterogeneous yielding mechanisms of body centered cubic iron for high resistance to chemical reaction-induced deterioration in supercritical water environments: A reactive molecular dynamics studyChen, Q., Zhang, J., Liu, Z., Wang, Y., Ootani, Y., Xu, J., Ozawa, N., Kubo, M.
• Effect of Pore Size of Carbon Support on Electrode Reaction Activity of Catalyst Layer in Polymer Electrolyte Fuel Cell: Reactive Molecular Dynamics SimulationsTetsuya NAKAMURA, Riku OTSUKI, Shuichi UEHARA, Yuta ASANO, Qian CHEN, Yusuke OOTANI, Nobuki OZAWA, Momoji KUBO

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