A damping boundary condition for atomistic-continuum coupling

The minimization of spurious wave reflection is a challenge in multiscale coupling due to the difference of spatial resolution between atomistic and continuum regions. In this study, a new damping condition is presented for eliminating spurious wave reflection at the interface between atomistic and...

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Bibliographic Details
Published inChinese physics B Vol. 26; no. 6; pp. 508 - 515
Main Author 张杰 Kiet Tieu Guillaume Michal 朱洪涛 张亮 苏利红 邓关宇 王辉
Format Journal Article
LanguageEnglish
Published Chinese Physical Society and IOP Publishing Ltd 01.06.2017
Subjects
coarse-fine decomposition
multiscale modeling
nonlinear damping
spurious wave reflection
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ISSN1674-1056
2058-3834
DOI10.1088/1674-1056/26/6/068702

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Summary:The minimization of spurious wave reflection is a challenge in multiscale coupling due to the difference of spatial resolution between atomistic and continuum regions. In this study, a new damping condition is presented for eliminating spurious wave reflection at the interface between atomistic and continuum regions. This damping method starts by a coarse–fine decomposition of the atomic velocity based on the bridging scale method. The fine scale velocity of the atoms in the damping region is reduced by applying nonlinear damping coefficients. The effectiveness of this damping method is verified by one-and two-dimensional simulations.
Bibliography:multiscale modeling, spurious wave reflection, coarse-fine decomposition, nonlinear damping
11-5639/O4
Jie Zhang1, Kiet Tieu1, Guillaume Michal1, Hongtao Zhu1, Liang Zhang1, Lihong Su1, Guanyu Deng1,2, Hui Wang1（ 1 School of Mechanical, Materials, and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522, Australia ; 2Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501, Japan）
The minimization of spurious wave reflection is a challenge in multiscale coupling due to the difference of spatial resolution between atomistic and continuum regions. In this study, a new damping condition is presented for eliminating spurious wave reflection at the interface between atomistic and continuum regions. This damping method starts by a coarse–fine decomposition of the atomic velocity based on the bridging scale method. The fine scale velocity of the atoms in the damping region is reduced by applying nonlinear damping coefficients. The effectiveness of this damping method is verified by one-and two-dimensional simulations.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/26/6/068702