The EXP pair-potential system. II. Fluid phase isomorphs

被引:29
作者
Bacher, Andreas Kvist [1 ]
Schroder, Thomas B. [1 ]
Dyre, Jeppe C. [1 ]
机构
[1] Roskilde Univ, Dept Sci & Environm, Glass & Time, IMFUFA, POB 260, DK-4000 Roskilde, Denmark
关键词
DYNAMICS; LIQUIDS; COEFFICIENTS; EQUILIBRIUM; VISCOSITY; SPHERE;
D O I
10.1063/1.5043548
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
This paper continues the investigation of the exponentially repulsive EXP pair-potential system of Paper I [A. K. Bacher et al., J. Chem. Phys. 149, 114501 (2018)] with a focus on isomorphs in the low-temperature gas and liquid phases. As expected from the EXP system's strong virial potential-energy correlations, the reduced-unit structure and dynamics are isomorph invariant to a good approximation. Three methods for generating isomorphs are compared: the small-step method that is exact in the limit of small density changes and two versions of the direct-isomorph-check method that allows for much larger density changes. Results from the latter two approximate methods are compared to those of the small-step method for each of the three isomorphs generated by 230 one percent density changes, covering one decade of density variation. Both approximate methods work well. (C) 2018 Author(s).
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收藏
页数:13
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