TY  - JOUR
TI  - Efficient coarse graining in multiscale modeling of fracture 
AV  - none
KW  - Coarse graining; MD simulation; Multiscale method; Fracture;  Atomistic model
Y1  - 2014/02//
UR  - http://www.sciencedirect.com/science/article/pii/S0167844213000839
JF  - Theoretical and Applied Fracture Mechanics 
A1  - Budarapu, Pattabhi R.
A1  - Gracie, Robert
A1  - Yang, Shih-Wei
A1  - Zhuang, Xiaoying
A1  - Rabczuk, Timon
SN  - 0167-8442
PB  - Elsevier
N2  - 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. 
SP  - 126 
ID  - eprints2649
EP  -  143
VL  - 69
ER  -