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 -