Nucleation and growth by a phase field crystal (PFC) model

被引：92

作者：

Backofen, R.

Raetz, A.

Voigt, A.

机构：

[1] Res Ctr Caesar, D-53175 Bonn, Germany

[2] Tech Univ Dresden, Inst Wissenschaftliches Rechnen, D-01062 Dresden, Germany

来源：

PHILOSOPHICAL MAGAZINE LETTERS | 2007年 / 87卷 / 11期

关键词：

DENSITY-FUNCTIONAL THEORY; FLUIDS;

D O I：

10.1080/09500830701481737

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We review the derivation of a phase field crystal (PFC) model from classical density functional theory (DFT). Through a gradient flow of the Helmholtz free energy functional and appropriate approximations of the correlation functions, higher order nonlinear equations are derived for the evolution of a time averaged density. The equation is solved by finite elements using a semi-implicit time discretization.

引用

收藏

页码：813 / 820

页数：8

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