Literature DB >> 26696063

The Lennard-Jones melting line and isomorphism.

D M Heyes1, A C Brańka2.   

Abstract

The location of the melting line (ML) of the Lennard-Jones (LJ) system and its associated physical properties are investigated using molecular dynamics computer simulation. The radial distribution function and the behavior of the repulsive and attractive parts of the potential energy indicate that the ML is not a single isomorph, but the isomorphic state evolves gradually with temperature, i.e., it is only "locally isomorphic." The state point dependence of the unitless isomorphic number, X̃, for a range of static and dynamical properties of the LJ system in the solid and fluid states, and for fluid argon, are also reported. The quantity X̃ typically varies most with state point in the vicinity of the triple point and approaches a plateau in the high density (temperature) limit along the ML.

Entities:  

Year:  2015        PMID: 26696063     DOI: 10.1063/1.4937487

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


  2 in total

1.  Thermodynamics of freezing and melting.

Authors:  Ulf R Pedersen; Lorenzo Costigliola; Nicholas P Bailey; Thomas B Schrøder; Jeppe C Dyre
Journal:  Nat Commun       Date:  2016-08-17       Impact factor: 14.919

2.  Sound Velocities of Lennard-Jones Systems Near the Liquid-Solid Phase Transition.

Authors:  Sergey A Khrapak
Journal:  Molecules       Date:  2020-07-31       Impact factor: 4.411

  2 in total

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