レナード・ジョーンズ液体における垂直衝撃波の内部構造 : 周期殻境界条件を適用した分子動力学シミュレーション

概要

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The present paper proposes a highly efficient method of generating shock waves in liquids using the periodic-shell boundary condition, which is an outer boundary condition for molecular dynamics simulations. This shock-generating method is applied to a problem of normal shock waves in Lennard-Jones liquids to clarify the internal structures of shock fronts and the dependence of shock thicknesses on shock Mach numbers. The present method enables us to simulate shock fronts alone, so a significant decrease in computation time can be attained. Some of the main results by the molecular dynamics simulations are as follows : an overshoot in the profile of longitudinal temperature is found to arise as in the case of gas shock waves ; the thickness of shock fronts decreases with Mach number and is about two times the diameter of molecules when the Mach number is 4.
社団法人日本機械学会の論文
1993-01-25