Efficient coarse graining in multiscale modeling of fracture

Pattabhi R. Budarapu, Robert Gracie, Shih Wei Yang, Xiaoying Zhuang, Timon Rabczuk

Research output: Contribution to journalArticlepeer-review

203 Citations (Scopus)


We propose a coarse-graining technique to reduce a given atomistic model into an equivalent coarse grained continuum model. The developed technique is tailored for problems involving complex crack patterns in 2D and 3D including crack branching and coalescence. Atoms on the crack surface are separated from the atoms not on the crack surface by employing the centro symmetry parameter. A rectangular grid is superimposed on the atomistic model. Atoms on the crack surface in each cell are used to estimate the equivalent coarse-scale crack surface of that particular cell. The crack path in the coarse model is produced by joining the approximated crack paths in each cell. The developed technique serves as a sound basis to study the crack propagation in multiscale methods for fracture.

Original languageEnglish
Pages (from-to)126-143
Number of pages18
JournalTheoretical and Applied Fracture Mechanics
Publication statusPublished - 2014 Feb

Bibliographical note

Funding Information:
The support provided by the DeutscheForschungsgemeinschaft (DFG) is gratefully acknowledged. The financial support from the IRSES is thankfully acknowledged. We are thankful to the support by the National Science Council of Republic of China through Grant NSC 101-2911-I-006-002-2 . Dr. Winston Chen’s Scholarship on International Academic Research is greatefully acknowledged in carrying out this work. Dr. Zhuang acknowledges the supports from the NSFC (41130751) and National Basic Research Program of China (973 Program: 2011CB013800).


  • Atomistic model
  • Coarse graining
  • Fracture
  • MD simulation
  • Multiscale method

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanical Engineering
  • Applied Mathematics


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