May H-O, Mausbach P
University of Applied Sciences, Darmstadt, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Sep;76(3 Pt 1):031201. doi: 10.1103/PhysRevE.76.031201. Epub 2007 Sep 14.
The Stokes-Einstein relation between shear viscosity, diffusion constant, and temperature holds in many liquids, but there are certain examples where the relation fails. In this study, we consider liquids where the interaction potential is bounded, and we find that a different behavior of the Stokes-Einstein relation is possible, where the relation between shear viscosity, diffusion constant, and temperature grows linearly with the viscosity. This special behavior occurs when the potential is bounded and full overlap between the particles is possible. We try to show that the peculiar departure from the classical Stokes-Einstein relation can be explained by this possible overlap of particles by using a hydrodynamic model. Then we compare our result with molecular dynamics simulations for the Gaussian core model liquid.
剪切粘度、扩散常数和温度之间的斯托克斯-爱因斯坦关系在许多液体中都成立,但也有一些例子表明该关系并不适用。在本研究中,我们考虑了相互作用势有界的液体,并且发现斯托克斯-爱因斯坦关系可能会有不同的表现,即剪切粘度、扩散常数和温度之间的关系会随着粘度线性增长。当势有界且粒子间可能发生完全重叠时,就会出现这种特殊行为。我们试图通过使用流体动力学模型表明,这种与经典斯托克斯-爱因斯坦关系的特殊偏差可以用粒子间可能的重叠来解释。然后,我们将我们的结果与高斯核模型液体的分子动力学模拟结果进行比较。