D241 実在アルゴン流体の熱伝導率に関する散逸粒子動力学解析(分子動力学2)

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In this paper, Dissipative particle dynamics (DPD) simulation is performed for fluid argon. Real argon atom is prepared as a dissipative particle and the validity of model equation of DPD method is examined. Conservative force that is derived from Lennard-Jones potential is applied. Equilibrium DPD simulation was conducted for 864 argon atoms system at 100K and 200K. Thermal conductivities were calculated with Green-Kubo formulae. The simulation results of the thermal conductivity by DPD method are compared with molecular dynamics (MD) simulation results. The simulation results of DPD method agree well with that of MD method independently of random force parameter and nondimensional number density and temperature. This result means that the validity of model equation of DPD simulation.
2007-11-23