Pressure and energy behavior of the Gaussian core model fluid under shear

被引:7
作者
Ahmed, Alauddin [1 ]
Mausbach, Peter [2 ]
Sadus, Richard J. [1 ]
机构
[1] Swinburne Univ Technol, Ctr Mol Simulat, Hawthorn, Vic 3122, Australia
[2] Cologne Univ Appl Sci, D-50679 Cologne, Germany
来源
PHYSICAL REVIEW E | 2010年 / 82卷 / 01期
关键词
NONEQUILIBRIUM MOLECULAR-DYNAMICS; PARALLEL ALGORITHM; THERMODYNAMICS; VISCOSITY; SYSTEMS; FLOW; ANOMALIES;
D O I
10.1103/PhysRevE.82.011201
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
The pressure and energy behavior of the Gaussian core model (GCM) fluid as a function of strain-rate are obtained from nonequilibrium molecular dynamics simulations for a wide range of thermodynamic state points. An analytical dependence of pressure on strain-rate is observed which is in agreement with a Taylor series expansion of pressure in terms of the strain-rate tensor. In contrast, the energy as a function of strain rate is found to be dependent on temperature and density. The different behavior of pressure and energy contradicts mode-coupling theory, which requires the same variation of pressure and energy with respect to the strain-rate. The results for the GCM fluid do not support the hypothesis that the strain-rate exponent for both pressure and energy can be universally represented by a simple linear function of temperature and density.
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页数:7
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