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

Matjaž Berčič; Goran Kugler

doi:10.1103/PhysRevE.101.043309

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.

Authors

Matjaž Berčič¹, Goran Kugler¹

Affiliation

¹ University of Ljubljana, Faculty of Natural Sciences and Engineering, Department of Materials and Metallurgy, Ljubljana, Slovenia.

PMID: 32422745
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.