Three dimensional structures predicted by the modified phase field crystal equation

被引：36

作者：

Bueno, Jesus ^{[1
]}

Starodumov, Ilya ^{[2
]}

Gomez, Hector ^{[1
]}

Galenko, Peter ^{[3
]}

Alexandrov, Dmitri ^{[2
]}

机构：

[1] Univ A Coruna, Dept Metodos Matemat & Representac, La Coruna 15192, Spain

[2] Ural Fed Univ, Dept Math Phys, Lab Multiscale Math Modeling, Ekaterinburg 620000, Russia

[3] Univ Jena, Fak Phys Astron, D-07743 Jena, Germany

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2016年 / 111卷

基金：

俄罗斯基础研究基金会; 欧洲研究理事会;

关键词：

Phase field; Crystal; Isogeometric analysis; Parallel computing;

D O I：

10.1016/j.commatsci.2015.09.038

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present the first numerical results on three dimensional structures predicted by the modified phase field crystal equation. The computations are performed using parallel algorithms based on isogeometric analysis, a generalization of the finite element method. The evolution of crystal structures to their steady equilibrium state is predicted for various atomic densities and temperatures. These steady structures are consistent with the phase diagram predicted earlier using one-mode approximations of analytical solutions to the classical parabolic phase-field crystal equation. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：310 / 312

页数：3