A damping boundary condition for atomistic-continuum coupling

doi:10.1088/1674-1056/26/6/068702

中国物理B ›› 2017, Vol. 26 ›› Issue (6): 68702-068702.doi: 10.1088/1674-1056/26/6/068702

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇下一篇

A damping boundary condition for atomistic-continuum coupling

Jie Zhang(张杰), Kiet Tieu, Guillaume Michal, Hongtao Zhu(朱洪涛), Liang Zhang(张亮), Lihong Su(苏利红), Guanyu Deng(邓关宇), Hui Wang(王辉)

1 School of Mechanical, Materials, and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522, Australia;
2 Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501, Japan

收稿日期:2016-11-25 修回日期:2017-02-04 出版日期:2017-06-05 发布日期:2017-06-05
通讯作者: Kiet Tieu E-mail:ktieu@uow.edu.au

A damping boundary condition for atomistic-continuum coupling

Jie Zhang(张杰)¹, Kiet Tieu¹, Guillaume Michal¹, Hongtao Zhu(朱洪涛)¹, Liang Zhang(张亮)¹, Lihong Su(苏利红)¹, Guanyu Deng(邓关宇)^1,2, Hui Wang(王辉)¹

1 School of Mechanical, Materials, and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522, Australia;
2 Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501, Japan

Received:2016-11-25 Revised:2017-02-04 Online:2017-06-05 Published:2017-06-05
Contact: Kiet Tieu E-mail:ktieu@uow.edu.au

摘要/Abstract

摘要： 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.

关键词: multiscale modeling, spurious wave reflection, coarse-fine decomposition, nonlinear damping

Abstract: 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.

Key words: multiscale modeling, spurious wave reflection, coarse-fine decomposition, nonlinear damping

中图分类号: (Molecular dynamics simulation)

87.15.ap

46.15.-x (Computational methods in continuum mechanics) 46.40.Ff (Resonance, damping, and dynamic stability)

张杰, 朱洪涛, 张亮, 苏利红, 邓关宇, 王辉. A damping boundary condition for atomistic-continuum coupling[J]. 中国物理B, 2017, 26(6): 68702-068702.

Jie Zhang(张杰), Kiet Tieu, Guillaume Michal, Hongtao Zhu(朱洪涛), Liang Zhang(张亮), Lihong Su(苏利红), Guanyu Deng(邓关宇), Hui Wang(王辉). A damping boundary condition for atomistic-continuum coupling[J]. Chin. Phys. B, 2017, 26(6): 68702-068702.

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A damping boundary condition for atomistic-continuum coupling

A damping boundary condition for atomistic-continuum coupling

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