Incorporating density jumps and species-conserving dynamics in XPFC binary alloys

被引：5

作者：

Frick, Matthew J. ^{[1
]}

Ofori-Opoku, Nana ^{[2
]}

Provatas, Nikolas ^{[1
]}

机构：

[1] McGill Univ, Dept Phys, Ctr Phys Mat, Montreal, PQ H3A 2T8, Canada

[2] Canadian Nucl Labs, Computat Tech Branch, Chalk River, ON K0J 1J0, Canada

来源：

PHYSICAL REVIEW MATERIALS | 2020年 / 4卷 / 08期

基金：

加拿大自然科学与工程研究理事会;

关键词：

PHASE-FIELD CRYSTAL; SIMULATION; SYSTEM; DRAG;

D O I：

10.1103/PhysRevMaterials.4.083404

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This work presents a consistent formulation of the structural phase-field-crystal model of substitutional binary alloys that allows for the description of phases of unequal densities, a key feature in solidification. We further develop the dynamics of the model to be consistent with conserved Langevin dynamics in the true governing species densities. Additionally, this work expands on the ability to control pressure, so far only implemented in pure materials, to binary alloys by improving the control system that controls pressure from previous work. We study the equilibrium properties of the new model and demonstrate that control of pressure can drive various kinematic microscopic processes in materials such as grain boundary premelting, phase instability, and grain or interphase boundary motion.

引用

页数：13