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Molecular Dynamics Simulation of Heat Propagation in Liquid Argon

Molecular Dynamics Simulation of Heat Propagation in Liquid Argon
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摘要 A two dimensional molecular dynamics simulation has been performed to investigate the propagation behavior of initial thermal perturbations in liquid argon. The model includes 3 000 (150×20) rigid particles. The 12 6 Lennard Jones potential was used to describe the interactions among argon particles. Periodic boundary conditions were employed at the upper and bottom sides, and rigid boundary was used at right side. The thermal perturbations were generated by increasing the kinetic energy of the first five particle layers on the left side. Simulation results demonstrated that heat was transported by diffusion, and even at early time of fast transient heat transfer process, no wave phenomena such as wave front and wave reflection were observed. For a fast and large thermal perturbation propagation, wave like temperature profiles could be seen, which were always associated with the pressure waves rather than the heat waves in the sense of C V model. A two dimensional molecular dynamics simulation has been performed to investigate the propagation behavior of initial thermal perturbations in liquid argon. The model includes 3 000 (150×20) rigid particles. The 12 6 Lennard Jones potential was used to describe the interactions among argon particles. Periodic boundary conditions were employed at the upper and bottom sides, and rigid boundary was used at right side. The thermal perturbations were generated by increasing the kinetic energy of the first five particle layers on the left side. Simulation results demonstrated that heat was transported by diffusion, and even at early time of fast transient heat transfer process, no wave phenomena such as wave front and wave reflection were observed. For a fast and large thermal perturbation propagation, wave like temperature profiles could be seen, which were always associated with the pressure waves rather than the heat waves in the sense of C V model.
出处 《Tsinghua Science and Technology》 SCIE EI CAS 1997年第2期97-102,共6页 清华大学学报(自然科学版(英文版)
关键词 heat diffusion heat wave molecular dynamics simulation heat diffusion heat wave molecular dynamics simulation
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