Blended Ghost Force Correction Method for 3D Crystalline Defects

Blended Ghost Force Correction Method for 3D Crystalline Defects

Year:    2021

Author:    Lidong Fang, Lei Zhang

Communications in Computational Physics, Vol. 29 (2021), Iss. 4 : pp. 1246–1272

Abstract

Atomistic/continuum coupling method is a class of multiscale computational method for the efficient simulation of crystalline defects. The recently developed blended ghost force correction (BGFC) method combines the efficiency of blending methods and the accuracy of quasi-nonlocal (QNL) type methods. BGFC method can be applied to multi-body interaction potentials and general interfaces. In this paper, we present the formulation, implementation and analysis of the BGFC method in three dimensions. In particular, we focus on the difference and connection with other blending variants, such as energy based blended quasi-continuum method (BQCE) and force based blended quasi-continuum method (BQCF). The theoretical results are justified by a few benchmark numerical experiments with point defects and microcrack in the three dimensional face-centered cubic (FCC) lattice.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicp.OA-2020-0107

Communications in Computational Physics, Vol. 29 (2021), Iss. 4 : pp. 1246–1272

Published online:    2021-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    27

Keywords:    Multiscale computational method atomistic/continuum coupling crystalline defects blending method ghost force correction many-body interaction potential.

Author Details

Lidong Fang

Lei Zhang