Literature DB >> 24058382

An Interface-Fitted Finite Element Level Set Method with Application to Solidification and Solvation.

Bo Li1, John Shopple.   

Abstract

A new finite element level set method is developed to simulate the interface motion. The normal velocity of the moving interface can depend on both the local geometry, such as the curvature, and the external force such as that due to the flux from both sides of the interface of a material whose concentration is governed by a diffusion equation. The key idea of the method is to use an interface-fitted finite element mesh. Such an approximation of the interface allows an accurate calculation of the solution to the diffusion equation. The interface-fitted mesh is constructed from a base mesh, a uniform finite element mesh, at each time step to explicitly locate the interface and separate regions defined by the interface. Several new level set techniques are developed in the framework of finite element methods. These include a simple finite element method for approximating the curvature, a new method for the extension of normal velocity, and a finite element least-squares method for the reinitialization of level set functions. Application of the method to the classical solidification problem captures the dendrites. The method is also applied to the the molecular solvation to determine optimal solute-solvent interfaces of solvation systems.

Entities:  

Keywords:  curvature approximation; dendrites; finite element; interface-fitted mesh; level set method; molecular solvation; reinitialization; solidification; variational implicit-solvent models; velocity extension

Year:  2011        PMID: 24058382      PMCID: PMC3778506          DOI: 10.4208/cicp.230510.240910a

Source DB:  PubMed          Journal:  Commun Comput Phys        ISSN: 1815-2406            Impact factor:   3.246


  6 in total

1.  Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models.

Authors:  J Dzubiella; J M J Swanson; J A McCammon
Journal:  Phys Rev Lett       Date:  2006-03-03       Impact factor: 9.161

2.  Coupling nonpolar and polar solvation free energies in implicit solvent models.

Authors:  J Dzubiella; J M J Swanson; J A McCammon
Journal:  J Chem Phys       Date:  2006-02-28       Impact factor: 3.488

3.  Electrostatic free energy and its variations in implicit solvent models.

Authors:  Jianwei Che; Joachim Dzubiella; Bo Li; J Andrew McCammon
Journal:  J Phys Chem B       Date:  2008-02-15       Impact factor: 2.991

4.  Application of the level-set method to the implicit solvation of nonpolar molecules.

Authors:  Li-Tien Cheng; Joachim Dzubiella; J Andrew McCammon; Bo Li
Journal:  J Chem Phys       Date:  2007-08-28       Impact factor: 3.488

5.  A FINITE ELEMENT METHOD FOR ELASTICITY INTERFACE PROBLEMS WITH LOCALLY MODIFIED TRIANGULATIONS.

Authors:  Hui Xie; Zhilin Li; Zhonghua Qiao
Journal:  Int J Numer Anal Model       Date:  2011       Impact factor: 1.398

6.  Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules.

Authors:  Li-Tien Cheng; Yang Xie; Joachim Dzubiella; J Andrew McCammon; Jianwei Che; Bo Li
Journal:  J Chem Theory Comput       Date:  2009-02-10       Impact factor: 6.006

  6 in total

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