Copyright (C) NAGOYA ZOKEI University of Art & Design, All rights reserved.
| 名古屋造形大学 教員情報 | |
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カジマ ヤスヒロ 鍜島 康裕 造形研究科 造形専攻 教授 |
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■ 標題 Exactly Time-Reversible Molecular Dynamics Algorithm for Rigid-Body Systems |
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■ 概要 A simple, time-reversible simulation algorithm for rigid molecules is proposed. No time-reversible simulation algorithm for rigid molecules as simple as the velocity-Verlet algorithm for point atoms has been devised owing to the complex mutual dependence of the angular position and the angular velocity. In the present algorithm, the time reversibility of the rotational motion of a rigid molecule is enforced at every time step by determining numerically the angular velocity required to satisfy its non linear equation. 共著 Journal of the Physical Society of Japan Journal of the Physical Society of Japan （日本物理学会） J. Phys. Soc. Jpn. 80 (2011) 114002 pp.114002 2011/10 |
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Copyright (C) NAGOYA ZOKEI University of Art & Design, All rights reserved. |