分数布朗函数在分子动力学模拟中的应用

USEING THE FRACTURAL BROWIAN FUNCTION IN THE MOLECULAR DYNAMICS SIMULATION

本文基于分子动力学模拟的结果,采用分形理论方法提取分维数作为特征数,构成分数布朗运动的位移增量、 速度和速率的概率密度函数来描写微粒的运动。同时,与分子动力学模拟直接统计结果比较,二者吻合较好。

Based on the Molecular Dynamics Simulation results, the fractional dimensionality was extracted as the characteristic numbers on the basis of fractal theory. The corresponding fractional Brownian function acting as the probability density function of the random motion of molecules was thus constructed to describe the random motion configuration of micro particles in the paper. The results agree well with the directly counted results from the Molecular Dynamics Simulation.