FREQUENCY-DEPENDENT SHEAR VISCOSITY OF METHANE
FREQUENCY-DEPENDENT SHEAR VISCOSITY OF METHANE
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DOI：
10.1080/00268977900101291
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发表时间：
1979-01-01
影响因子：
1.7
通讯作者：
EVANS, DJ
中科院分区：
文献类型：
--
作者：
EVANS, DJ
水动力输运系数的精确计算机模拟计算是出了名的昂贵。在本文中，我们发展了一种基于Ashurst和Hoover的非平衡分子动力学的方法[1]，它计算应力-应力关联谱的效率比迄今可能的更高。计算表明，由于Williams[2]，甲烷的势函数预测零频剪切粘度在实验值的10%以内。应力-应力相关谱给出了AT-3/2长时间尾部的明显证据。结果表明，谱不是频率的单调递减函数。这在以前的计算机模拟中从未见过，但与Bosseet等人的模式耦合预测是一致的。
Accurate computer simulation calculations of hydrodynamic transport coefficients are notoriously expensive. In this paper we develop a method based on the non-equilibrium molecular dynamics of Ashurst and Hoover [1] which calculates the spectrum of stress-stress correlation with greater efficiency than has hitherto been possible. The calculation shows that a potential function for methane, due to Williams [2], predicts a zero frequency shear viscosity within 10 per cent of the experimental value. The spectrum of stress-stress correlation gives clear evidence of at-3/2long-time tail. It is shown that the spectrum isnota monotonic decreasing function of frequency. This has not been seen in computer simulation before but is in agreement with the mode-coupling prediction of Bosseet al.[3].