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arXiv · 1203.0134

On the accuracy of the melting curves drawn from modelling a solid as an elastic medium

Santi Prestipino
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Abstract

An ongoing problem in the study of a classical many-body system is the characterization of its equilibrium behaviour by theory or numerical simulation. For purely repulsive particles, locating the melting line in the pressure-temperature plane can be especially hard if the interparticle potential has a softened core or contains some adjustable parameters. A method is hereby presented that yields reliable melting-curve topologies with negligible computational effort. It is obtained by combining the Lindemann melting criterion with a description of the solid phase as an elastic continuum. A number of examples are given in order to illustrate the scope of the method and possible shortcomings. For a two-body repulsion of Gaussian shape, the outcome of the present approach compares favourably with the more accurate but also more computationally demanding self-consistent harmonic approximation.

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Santi Prestipino. 2012-03-01. On the accuracy of the melting curves drawn from modelling a solid as an elastic medium. https://doi.org/10.1088/0953-8984%2F24%2F3%2F035102

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