Article ID Journal Published Year Pages File Type
1859056 Physics Letters A 2016 6 Pages PDF
Abstract

•Kechin's one-phase approach to predicting a melting curve proven effective.•Convergence of the Padé approximation confirmed.•Solution found valid for a pressure range of four orders of magnitude.•Simon's equation identified as the melting curve of the modified Lennard-Jones solid.•This identification justified from the thermodynamic conditions for the solid phase.

The melting curve of the modified Lennard-Jones solid is derived using a one-phase approach. The Padé approximation employed for solving the melting-curve equation converges at the middle stage, giving rise to the well-known Simon curve that satisfactorily captures the actual melting curve found from a molecular dynamics simulation over a pressure range of four orders of magnitude. This situation is justified because the solid under consideration was shown to satisfy the thermodynamic condition under which Simon's curve becomes exact.

Related Topics
Physical Sciences and Engineering Physics and Astronomy Physics and Astronomy (General)
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