Role of three-body interactions in formation of bulk viscosity in liquid argon

被引：12

作者：

Lishchuk, S. V. ^{[1
,2
]}

机构：

[1] Univ Leicester, Dept Math, Leicester LE1 7RH, Leics, England

[2] Univ Leeds, Sch Food Sci & Nutr, Leeds LS2 9JT, W Yorkshire, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2012年 / 136卷 / 16期

关键词：

ab initio calculations; argon; Lennard-Jones potential; liquids; many-body problems; molecular dynamics method; potential energy functions; viscosity; SIMPLE FLUIDS; THERMOPHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; ULTRASONIC-ATTENUATION; THERMAL-CONDUCTIVITY; VOLUME VISCOSITY; PAIR POTENTIALS; KRYPTON; SIMULATION; FORCES;

D O I：

10.1063/1.4704930

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：

With the aim of locating the origin of discrepancy between experimental and computer simulation results on bulk viscosity of liquid argon, a molecular dynamic simulation of argon interacting via ab initio pair potential and triple-dipole three-body potential has been undertaken. Bulk viscosity, obtained using Green-Kubo formula, is different from the values obtained from modeling argon using Lennard-Jones potential, the former being closer to the experimental data. The conclusion is made that many-body inter-atomic interaction plays a significant role in formation of bulk viscosity. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704930]

引用

页数：4

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