Molecular Dynamics Studies of Solid -Liquid Interface of Soft-Core Model

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概要

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• The (100) solid-liquid coexistent state and the interface are studied by a molec-ular dynamics method for the soft-core system with the pair potential<)(r)=t(o/r)". To reduce computing time damping and random forces satisfying thefluctuation-dissipation theorem are applied to each atom during equilibration orthe svstem. Transition rarameters are obtained rather easily. which are in agree=ment with other works. This means, however, that monitoring transition parame-ters is not enough for judging to what degree a simulated state is approaching toa coexistent equilibrium state. The interface is not very stable and proceeds orrecedes according to local density and temperature fluctuations. Therefore,averaged features depend on time intervals over which time averages are taken.='- An apparently large thickness of the interface observed for a LJ system is inter-preted in this way. Feasibility of simulating crystallization process is also shown.

• 社団法人日本物理学会の論文
• 1981-01-15

著者

• Ueda Akira

  Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University

• Takada Junji

  Department Of Applied Mathematics And Physics Faculty Of Engineering Kyoto University

• Hiwatari Yasuaki

  Department Of Physics Faculty Of Science Kanazawa University

• Hiwatari Yasuaki

  Department Of Computational Science Kanazawa University

• Hiwatari Yasuaki

  Department Of Computational Science Faculty Of Science Kanazawa University

• Ueda Akira

  Department of Applied Mathematics and Physics,Faculty of Engineering,Kyoto University

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