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International Journal for Multiscale Computational Engineering
Fator do impacto: 1.016 FI de cinco anos: 1.194 SJR: 0.554 SNIP: 0.82 CiteScore™: 2

ISSN Imprimir: 1543-1649
ISSN On-line: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.2013005442
pages 227-237

A COARSE-GRAINED ATOMISTIC METHOD FOR 3D DYNAMIC FRACTURE SIMULATION

Qian Deng
Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, Florida, 32611, USA
Youping Chen
Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, Florida, 32611, USA

RESUMO

In this work, a new coarse-grained (CG) method is presented. The new method combines an atomistic formulation of balance equations and a modified finite element method. Through three numerical examples, we demonstrate that the new method is able to predict the dynamic fracture behavior of crystalline materials. First, the stress wave propagation is simulated through the CG method and the stress response is found to be identical with that of the corresponding atomic-level molecular dynamics (MD) simulation. Then, three-dimensional dynamic crack propagation in a notched thin film under tension is simulated through both CG and MD simulations. Simulation results show that not only the crack propagation paths but also the local and average stresses calculated from CG simulations agree well with that from the corresponding MD simulations. Most importantly, although a large number of degrees of freedoms have been eliminated, the CG models capture the atomic-scale phenomenon such as the dislocation emission and migration accompanied with the crack propagation. In addition, through CG simulations of a plate under impact lading, the CG method is demonstrated to be able to simulate both stable crack propagation problems and the fragmentations of materials under high-strain-rate dynamic loading.

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