Abstract
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.
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Xiong, D.X., Xu, Y.S. & Guo, Z.Y. Molecular dynamics simulation on thermodynamic properties and transport coefficients. J. of Thermal Science 5, 196–200 (1996). https://doi.org/10.1007/BF02653185
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DOI: https://doi.org/10.1007/BF02653185