Details
| Original language | English |
|---|---|
| Pages (from-to) | 126-143 |
| Number of pages | 18 |
| Journal | Theoretical and Applied Fracture Mechanics |
| Volume | 69 |
| Publication status | Published - 27 Dec 2013 |
| Externally published | Yes |
Abstract
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.
Keywords
- Atomistic model, Coarse graining, Fracture, MD simulation, Multiscale method
ASJC Scopus subject areas
- Materials Science(all)
- General Materials Science
- Physics and Astronomy(all)
- Condensed Matter Physics
- Engineering(all)
- Mechanical Engineering
- Mathematics(all)
- Applied Mathematics
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In: Theoretical and Applied Fracture Mechanics, Vol. 69, 27.12.2013, p. 126-143.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Efficient coarse graining in multiscale modeling of fracture
AU - Budarapu, Pattabhi Ramaiah
AU - Gracie, Robert
AU - Yang, Shih Wei
AU - Zhuang, Xiaoying
AU - Rabczuk, Timon
N1 - 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).
PY - 2013/12/27
Y1 - 2013/12/27
N2 - 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.
AB - 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.
KW - Atomistic model
KW - Coarse graining
KW - Fracture
KW - MD simulation
KW - Multiscale method
UR - http://www.scopus.com/inward/record.url?scp=84896725117&partnerID=8YFLogxK
U2 - 10.1016/j.tafmec.2013.12.004
DO - 10.1016/j.tafmec.2013.12.004
M3 - Article
AN - SCOPUS:84896725117
VL - 69
SP - 126
EP - 143
JO - Theoretical and Applied Fracture Mechanics
JF - Theoretical and Applied Fracture Mechanics
SN - 0167-8442
ER -