中国物理B ›› 2014, Vol. 23 ›› Issue (11): 118704-118704.doi: 10.1088/1674-1056/23/11/118704

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

Coupling of two-dimensional atomistic and continuum models for dynamic crack

任国武, 汤铁钢   

  1. Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China
  • 收稿日期:2014-05-19 修回日期:2014-06-06 出版日期:2014-11-15 发布日期:2014-11-15
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grants Nos. 11102191 and 11172279) and the Development Foundation of Institute of Fluid Physics, Chinese Academy of Engineering Physics (Grant No. SFZ20120402).

Coupling of two-dimensional atomistic and continuum models for dynamic crack

Ren Guo-Wu (任国武), Tang Tie-Gang (汤铁钢)   

  1. Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China
  • Received:2014-05-19 Revised:2014-06-06 Online:2014-11-15 Published:2014-11-15
  • Contact: Ren Guo-Wu E-mail:guowu.ren@gmail.com
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grants Nos. 11102191 and 11172279) and the Development Foundation of Institute of Fluid Physics, Chinese Academy of Engineering Physics (Grant No. SFZ20120402).

摘要:

A concurrent multiscale method of coupling atomistic and continuum models is presented in the two-dimensional system. The atomistic region is governed by molecular dynamics while the continuum region is represented by constructing the mass and stiffness matrix dependent on the coarsening of the grids, which ensures that they merge seamlessly. The low-pass phonon filter embedded in the handshaking region is utilized to effectively eliminate the spurious reflection of high-frequency phonons, while keeping the low-frequency phonons transparent. These schemes are demonstrated by numerically calculating the reflection and transmission coefficient, and by the further application of dynamic crack propagation subjected to mode-I tensile loading.

关键词: concurrent multiscale method, phonon filter, dynamic crack

Abstract:

A concurrent multiscale method of coupling atomistic and continuum models is presented in the two-dimensional system. The atomistic region is governed by molecular dynamics while the continuum region is represented by constructing the mass and stiffness matrix dependent on the coarsening of the grids, which ensures that they merge seamlessly. The low-pass phonon filter embedded in the handshaking region is utilized to effectively eliminate the spurious reflection of high-frequency phonons, while keeping the low-frequency phonons transparent. These schemes are demonstrated by numerically calculating the reflection and transmission coefficient, and by the further application of dynamic crack propagation subjected to mode-I tensile loading.

Key words: concurrent multiscale method, phonon filter, dynamic crack

中图分类号:  (Molecular dynamics simulation)

  • 87.15.ap
62.20.mm (Fracture) 63.20.-e (Phonons in crystal lattices)