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- 采用Green Kubo法和Einstein法计算的扩散系数相等 .The diffusion coefficients calculated from the Green-Kubo integral over velocity correlation function and from the Einstein relation for the mean square displacement were equivalent.
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- 利用分子动力学方法模拟了简单流体的自扩散系数。 模拟分别采用Green-Kubo法(VACF:velocity autocorrelation function)和Einstein法(MSD:mean square displacement)。By the means of molecular dynamics simulation,self-diffusion coefficient for simple fluid has been simulated using Green-Kubo relation(VACF: velocity autocorrelation function) and Einstein relation(MSD: mean square displacement).
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