Multiscale Simulation of Crack Propagation Based on Molecular Dynamics

Gui Xue Bian; Yue Liang Chen; Yong Zhang; Da Zhao Yu

doi:10.4028/www.scientific.net/AMR.941-944.1473

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 941-944Multiscale Simulation of Crack Propagation Based...

Multiscale Simulation of Crack Propagation Based on Molecular Dynamics

Abstract:

A multiscale simulation approach is developed to investigate mechanism of crack propagation from the atomistic perspective. The finite elements (FE) method has been applied to obtain displacement load of the model. The quadrangle region around the crack tip crack tip has been prepared for the molecular dynamics (MD) model. The displacement load calculated by FE was applied to boundaries of the MD model. The simulation results show that the evolution of atomic configuration of the system includes dislocation emission, atomic disorder, atom bond rupture and microcrack propagation.

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Periodical:

Advanced Materials Research (Volumes 941-944)

Pages:

1473-1476

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.941-944.1473

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Online since:

June 2014

Authors:

Gui Xue Bian, Yue Liang Chen, Yong Zhang, Da Zhao Yu

Keywords:

Crack Propagation, Finite Element, Molecular Dynamic (MD), Multiscale Method

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