Shear viscosity of a simple fluid over a wide range of strain rates

被引：38

作者：

Borzsák, I

Cummings, PT

Evans, DJ

机构：

[1] Hungarian Acad Sci, Inst Chem, Chem Res Ctr, H-1525 Budapest, Hungary

[2] Univ Tennessee, Dept Chem Engn, Knoxville, TN 37996 USA

[3] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA

[4] Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA

[5] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA

[6] Australian Natl Univ, Res Sch Chem, Canberra, ACT 2601, Australia

来源：

MOLECULAR PHYSICS | 2002年 / 100卷 / 16期

关键词：

D O I：

10.1080/00268970210137275

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The shear viscosity of the Weeks-Chandler-Andersen (WCA) fluid at the Lennard-Jones triple point has been calculated over a wide range of strain rates using the transient time correlation function (TTCF) formalism. It has been demonstrated that these calculations can be carried out at arbitrarily low strain rates with the precision of the Green-Kubo calculations. At high strain rates, the calculated data agree within the error bars with more precise data acquired using the computationally less demanding steady state (SS) non-equilibrium molecular dynamics (NEMD) method. The linear variation of viscosity with the square root of the strain rate is discussed.

引用

页码：2735 / 2738

页数：4

共 7 条

[1] An efficient parallel algorithm for non-equilibrium molecular dynamics simulations of very large systems in planar Couette flow [J].