Comparison of Efficiency Equilibrium and Non-Equilibrium Molecular Dynamics Calculations of Thermal Diffusion Factor(Condensed matter: structure and mechanical and thermal properties)
スポンサーリンク
概要
- 論文の詳細を見る
The performance of the equilibrium and direct nonequilibrium simulation methods for the calculation of thermal diffusion are examined. Both methods show size dependency for particle number less than 500. The equilibrium simulation should perform for at least 48 ns to obtain statistical errors less than 5%. For a same particle number and simulation length the direct nonequilibrium simulation is one order of magnitude more accurate than the equilibrium one.
- 社団法人日本物理学会の論文
- 2007-04-15
著者
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Yeganegi Saeed
Department Of Chemistry Faculty Of Basic Sciences University Of Mazandaran
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ANBARFAM Mojdeh
Department of Chemistry, Faculty of Basic Sciences, University of Mazandaran
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Anbarfam Mojdeh
Department Of Chemistry Faculty Of Basic Sciences University Of Mazandaran
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Yeganegi Saeed
Univ. Mazandaran Babulsar Irn
関連論文
- Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation
- Thermal Diffusion Factor of Binary Mixtures of Square Well Fluids(Condensed matter: structure and mechanical and thermal properties)
- Comparison of Efficiency Equilibrium and Non-Equilibrium Molecular Dynamics Calculations of Thermal Diffusion Factor(Condensed matter: structure and mechanical and thermal properties)
- Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation