Structural phase-field crystal model for Lennard-Jones pair interaction potential
arXiv:2207.02613 · doi:10.1088/1361-651X/ac7e63
Abstract
A modification of structural phase-field crystal (XPFC) model for an arbitrary pair interaction potential is presented. Formation of 1D and 2D structures for the Lennard-Jones (LJ) potential was studied numerically. The equilibrium lattice parameters for the presented structures were found consistent to the correspondent LJ-distance parameters. The lattice parameter of 2D triangle's structure matches the periodical in 1D, which shown to be consistent with the theory of freezing from the isotropic liquids. Numerically obtained XPFC phase diagram of two-dimensional structures qualitatively reproduces classical PFC diagram and coincides with the melting region of high-temperature part of LJ diagram.
arXiv comment8 pages, 5 figures, This article before peer review is submitted by an author to Journal "Modelling and Simulation in Materials Science and Engineering". IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://doi.org/10.1088/1361-651X/ac7e63
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