Symplectic Integrators Designed for Simulating Soft Matter(General)

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概要

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• Symplectic integrators designed for simulating soft matter at constant temperature and constant pressure (or constant surface tension) are presented. In addition to the well-known merits of symplectic integrators, such as long time stability, these methods allow the estimation of thermal heat production/absorption and thus entropy differences through a simple function of the time scaling factor ν. The relative entropy estimation around crystal-liquid phase transition is given for systems with soft core repulsive potential.

• 社団法人日本物理学会の論文
• 2008-04-15

著者

• Aoki Keiko

  Icfd

関連論文

• Symplectic Integrators Designed for Simulating Soft Matter(General)

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