Enabling simulations of grains within a full rotation range in amplitude expansion of the phase-field crystal model

Phys Rev E. 2020 Apr;101(4-1):043309. doi: 10.1103/PhysRevE.101.043309.

Abstract

This paper introduces improvements to the amplitude expansion of the phase-field crystal model that enable the simulation of grains within a full range of orientations. The unphysical grain boundary between grains, rotated by a crystal's symmetry rotation, is removed using a combination of the auxiliary rotation field described in our previous work and an algorithm that correctly matches the complex amplitudes according to the differences in local rotation.