Literature DB >> 30243289

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

Andreas Kvist Bacher1, Thomas B Schrøder1, Jeppe C Dyre1.   

Abstract

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.

Year:  2018        PMID: 30243289     DOI: 10.1063/1.5043548

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid.

Authors:  Ian H Bell; Richard Messerly; Monika Thol; Lorenzo Costigliola; Jeppe C Dyre
Journal:  J Phys Chem B       Date:  2019-07-12       Impact factor: 3.466

2.  Isomorph Invariance of Higher-Order Structural Measures in Four Lennard-Jones Systems.

Authors:  Mahajabin Rahman; Benjamin M G D Carter; Shibu Saw; Ian M Douglass; Lorenzo Costigliola; Trond S Ingebrigtsen; Thomas B Schrøder; Ulf R Pedersen; Jeppe C Dyre
Journal:  Molecules       Date:  2021-03-20       Impact factor: 4.411

  2 in total

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