Energy stable multigrid method for local and non-local hydrodynamic models for freezing

被引:13
作者
Baskaran, Arvind [1 ]
Guan, Zhen [1 ]
Lowengrub, John [1 ]
机构
[1] Univ Calif Irvine, Dept Math, Irvine, CA 92697 USA
基金
美国国家科学基金会;
关键词
Classical density functional theory; Phase field crystal; Compressible Navier-Stokes; Convex splitting; Finite difference methods; Energy stability; DENSITY-FUNCTIONAL THEORY; CONVEX SPLITTING SCHEME; CAHN-HILLIARD;
D O I
10.1016/j.cma.2015.10.011
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In this paper we present a numerical method for hydrodynamic models that arise from time dependent density functional theories of freezing. The models take the form of compressible Navier-Stokes equations whose pressure is determined by the variational derivative of a free energy, which is a functional of the density field. We present unconditionally energy stable and mass conserving implicit finite difference methods for the models. The methods are based on a convex splitting of the free energy and that ensures that a discrete energy is non-increasing for any choice of time and space step. The methods are applicable to a large class of models, including both local and non-local free energy functionals. The theoretical basis for the numerical method is presented in a general context. The method is applied to problems using two specific free energy functionals: one local and one non-local functional. A nonlinear multigrid method is used to solve the numerical method, which is nonlinear at the implicit time step. The non-local functional, which is a convolution operator, is approximated using the Discrete Fourier Transform. Numerical simulations that confirm the stability and accuracy of the numerical method are presented. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码:22 / 56
页数:35
相关论文
共 28 条
[1]   Dynamical density functional theory for molecular and colloidal fluids: A microscopic approach to fluid mechanics [J].
Archer, A. J. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (01)
[2]   CONVERGENCE ANALYSIS OF A SECOND ORDER CONVEX SPLITTING SCHEME FOR THE MODIFIED PHASE FIELD CRYSTAL EQUATION [J].
Baskaran, A. ;
Lowengrub, J. S. ;
Wang, C. ;
Wise, S. M. .
SIAM JOURNAL ON NUMERICAL ANALYSIS, 2013, 51 (05) :2851-2873
[3]   Kinetic density functional theory of freezing [J].
Baskaran, Arvind ;
Baskaran, Aparna ;
Lowengrub, John .
JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (17)
[4]   Energy stable and efficient finite-difference nonlinear multigrid schemes for the modified phase field crystal equation [J].
Baskaran, Arvind ;
Hu, Zhengzheng ;
Lowengrub, John S. ;
Wang, Cheng ;
Wise, Steven M. ;
Zhou, Peng .
JOURNAL OF COMPUTATIONAL PHYSICS, 2013, 250 :270-292
[5]   Kinetic Monte Carlo simulation of strained heteroepitaxial growth with intermixing [J].
Baskaran, Arvind ;
Devita, Jason ;
Smereka, Peter .
CONTINUUM MECHANICS AND THERMODYNAMICS, 2010, 22 (01) :1-26
[6]   Brownian particles with long- and short-range interactions [J].
Chavanis, Pierre-Henri .
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2011, 390 (09) :1546-1574
[7]  
Elder KR, 2004, PHYS REV E, V70, DOI 10.1103/PhysRevE.70.051605
[8]   Derivation of dynamical density functional theory using the projection operator technique [J].
Espanol, Pep ;
Loewen, Hartmut .
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (24)
[9]   Unconditionally gradient stable time marching the Cahn-Hilliard equation [J].
Eyre, DJ .
COMPUTATIONAL AND MATHEMATICAL MODELS OF MICROSTRUCTURAL EVOLUTION, 1998, 529 :39-46
[10]   THE OVERDAMPED LIMIT OF DYNAMIC DENSITY FUNCTIONAL THEORY: RIGOROUS RESULTS [J].
Goddard, B. D. ;
Pavliotis, G. A. ;
Kalliadasis, S. .
MULTISCALE MODELING & SIMULATION, 2012, 10 (02) :633-663