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

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• 作者：Arvind Baskaran ; ^{baskaran@math.uci.edu" class="auth_mail" title="E-mail the corresponding author} ; Zhen Guan ^{guanz2@math.uci.edu" class="auth_mail" title="E-mail the corresponding author} ; John Lowengrub ^{lowengrb@math.uci.edu" class="auth_mail" title="E-mail the corresponding author}
• 关键词：Classical density functional theory ; Phase field crystal ; Compressible Navier&ndash ; Stokes ; Convex splitting ; Finite difference methods ; Energy stability
• 刊名：Computer Methods in Applied Mechanics and Engineering
• 出版年：2016
• 出版时间：1 February 2016
• 年：2016
• 卷：299
• 期：Complete
• 页码：22-56
• 全文大小：3998 K

文摘

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.