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

This paper continues the investigation of the exponentially repulsive EXP pair-potential system of Paper I 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 system's reduced-unit struct...

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Bibliographic Details
Published in:arXiv.org 2018-09
Main Authors: Andreas Kvist Bacher, Schrøder, Thomas B, Dyre, Jeppe C
Format: Article
Language:English
Subjects:
Approximation
Density
Liquid phases
Methods
Online Access:Get full text
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Summary:This paper continues the investigation of the exponentially repulsive EXP pair-potential system of Paper I 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 system's 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 approximate methods are compared to those of the small-step method for each of three isomorphs generated by 230 one percent density increases, covering in all one decade of density variation. Both approximate methods work well.
ISSN:2331-8422
DOI:10.48550/arxiv.1807.10958