Molecular dynamics study of the thermodynamics and transport coefficients of hard hyperspheres in six and seven dimensions.
Molecular dynamics study of the thermodynamics and transport coefficients of hard hyperspheres in six and seven dimensions.
复制标题
六维和七维硬超球体热力学和输运系数的分子动力学研究。
DOI：
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
M. Bishop
中科院分区：
文献类型：
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作者：
Leo Lue;M. Bishop
分子动力学（MD）模拟进行六，七维硬超球流体。状态方程，速度自相关函数，自扩散系数，剪切粘度，和热导率被确定为密度的函数。分子动力学的状态方程的结果被发现是在良好的协议从理论方法和以前的MD模拟在七个维度上获得的值。速度自相关函数的短时行为很好地描述了Enskog指数近似。Enskog预测的自扩散系数和粘度同意相当不错的模拟数据在低密度，但低估这些数量在较高的密度。导热系数的数据与Enskog理论的所有密度和尺寸的研究是在罚款协议。
Molecular dynamics (MD) simulations are performed for six- and seven-dimensional hard-hypersphere fluids. The equation of state, velocity autocorrelation function, self-diffusion coefficient, shear viscosity, and thermal conductivity are determined as a function of density. The molecular dynamics results for the equation of state are found to be in excellent agreement with values obtained from theoretical approaches and previous MD simulations in seven dimensions. The short-time behavior of the velocity autocorrelation function is well described by the Enskog exponential approximation. The Enskog predictions for the self-diffusion coefficient and the viscosity agree fairly well with the simulation data at low densities, but underestimate these quantities at higher densities. Data for the thermal conductivity are in fine agreement with Enskog theory for all densities and dimensions studied.