Monte Carlo Simulation of Lennard-Jones Molecular System

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  • レナード・ジョーンズ系のモンテカルロシミュレーション
  • レナード ジョーンズケイ ノ モンテカルロシミュレーション

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Abstract

The program of the Monte Carlo simulation of a Metropolis method was developed on Lennard-Jones molecular system. The initial configuration was FCC structure. The vapor, liquid, solid and cluster phases were simulated by the periodic boundary condition. The self-diffusion coefficient was estimated by the mean square displacement with some assumption on the average displacement.

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