单、双原子流体粘性核的扩展分析
An extended analysis of the viscosity kernel for monatomic and diatomic fluids
摘要：
我们提出了一个扩展的分析波矢量依赖的单原子和双原子（液氯）流体的剪切粘度在很宽的波矢量范围内，并为各种状态点。分析是基于平衡分子动力学模拟，其中包括横向动量密度和剪切应力自相关函数的评价。对于液氯，我们提出的结果在原子和分子形式主义。我们发现，氯的粘度内核是统计上无法区分的原子和分子形式主义。结果进一步表明，单原子和双原子流体的实空间粘滞核对密度、势能函数以及倒易空间拟合函数的选择都有敏感的依赖性.它还表明，倒易空间剪切粘度数据可以拟合到两个不同的简单的函数形式在整个密度，温度和波矢范围内：一个函数组成的n-高斯项和洛伦兹型函数。总的来说，真实空间粘度核具有3至6个原子直径的宽度，这意味着广义流体动力学本构关系对于应变率在原子尺寸量级的距离上非线性变化的流体是必需的。
英文摘要：
We present an extended analysis of the wave-vector dependent shear viscosity of monatomic and diatomic (liquid chlorine) fluids over a wide range of wave-vectors and for a variety of state points. The analysis is based on equilibrium molecular dynamics simulations, which involves the evaluation of transverse momentum density and shear stress autocorrelation functions. For liquid chlorine we present the results in both atomic and molecular formalisms. We find that the viscosity kernel of chlorine is statistically indistinguishable with respect to atomic and molecular formalisms. The results further suggest that the real space viscosity kernels of monatomic and diatomic fluids depends sensitively on the density, the potential energy function and the choice of fitting function in reciprocal space. It is also shown that the reciprocal space shear viscosity data can be fitted to two different simple functional forms over the entire density, temperature and wave-vector range: a function composed of n-Gaussian terms and a Lorentzian type function. Overall, the real space viscosity kernel has a width of 3 to 6 atomic diameters which means that the generalized hydrodynamic constitutive relation is required for fluids with strain rates that vary nonlinearly over distances of the order of atomic dimensions.
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