Structural phase-field crystal model for Lennard–Jones pair interaction potential

Abstract

A modification of the structural phase-field crystal model for a Lennard–Jones (LJ) pair interaction potential is presented. Formation of 1D and 2D structures for the LJ-potential was studied numerically. The equilibrium lattice parameters for the obtained structures were found consistent to the correspondent LJ-distance parameters. The lattice parameter of 2D triangle’s structure matches the periodical in 1D, which is consistent to the theory of freezing from the isotropic liquids. Numerically obtained phase diagram of two-dimensional structures qualitatively reproduces classical PFC diagram and coincides with the melting region of high-temperature part of LJ diagram.