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Molecular Dynamics Simulation on Thermodynamic Properties and Transport Coefficients

Molecular Dynamics Simulation on Thermodynamic Properties and Transport Coefficients
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摘要 Molecular dynamics simulation (MDS) is used to study the thermodynamic properties and transport coefficients of an argon system with Lennend-Jones potential. The results on the velocity distribution,mean free path, mean collision time, specific heat and self-diffusion coefficient agree well with the existing theoretical/ experimental data. It shows that molecular dynamics method is another bridge to connect microworld and macroworld.
出处 《Journal of Thermal Science》 SCIE EI CAS CSCD 1996年第3期196-200,共5页 热科学学报(英文版)
关键词 molecular dynamics simulation thermodynamic property transport coefficient 分子动力学模拟 热传导性质 微电子学
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