Modelling fluids and crystals using a two-component modified phase field crystal model

TL;DR

This paper introduces a modified phase field crystal model capable of describing fluids and crystals with defects, analyzing phase diagrams, localized states, and structural transformations in one and two dimensions.

Contribution

It develops a two-component modified phase field crystal model that captures structural transitions and defect formations in fluids and crystalline materials.

Findings

Identified regions of modulated and uniform phases.

Demonstrated structural transformation from hexagonal to square ordering.

Analyzed localized states and defect structures.

Abstract

A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where modulated and uniform phases are formed and also regions where localised states are formed. We investigate the effectiveness of the phase field crystal model for describing fluids and crystals with defects. We further consider a two component model and elucidate how the structure transforms from hexagonal crystalline ordering to square ordering as the concentration changes. Our conclusion contains a discussion of possible interpretations of the order parameter field.