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arXiv 1003.3789cond-mat.soft
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高密度软球流体的输运系数

Transport coefficients of soft sphere fluids at high densities

Yu. D. Fomin, V. V. Brazhkin, V. N. Ryzhov

摘要:

分子动力学计算机模拟已被用于计算软球流体的自扩散系数和剪切粘度,其中颗粒通过软球势或逆幂对势相互作用。在很宽的压力和温度范围内沿熔化线进行了计算。验证了热力学参数和动力学系数标度关系的有效性。结果表明,如果巴克直径作为特征长度尺度,则遵守斯托克斯-爱因斯坦关系。它还表明,粘度是非单调沿等值线预测的Ya。罗森菲尔德结果表明,粘度沿熔融线强烈增长,然而,这种增加并不刺激玻璃化转变,因为弛豫时间减少。

英文摘要:

Molecular dynamics computer simulation has been used to compute the self-diffusion coefficient, and shear viscosity of soft-sphere fluids, in which the particles interact through the soft-sphere or inverse power pair potential. The calculations have been made along the melting line in a wide range of pressures and temperatures. The validity of scaling relations for thermodynamic parameters and kinetic coefficients was checked. It was shown that the Stokes-Einstein relationship is obeyed if the Barker diameter is used as a characteristic length scale. It was also shown that the viscosity is non-monotonic along the isochores as predicted by Ya. Rosenfeld. It was shown that the viscosity is strongly growing along the melting line, however, this increase does not stimulate the glass transition because the relaxation time is decreasing.

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