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Comparison Between Atomistic and Continuum-Mechanics Modelling of Grain-Boundary Fracture

Published online by Cambridge University Press:  10 February 2011

F. Cleri ,
S. R. Phillpot  and
D. Wolf
F. Cleri
Affiliation:
Divisione Materiali Avanzati, ENEA, Centro Ricerche Casaccia, C.P. 2400, 00100 Roma (Italy)
S. R. Phillpot
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (USA)
D. Wolf
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (USA)
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Abstract

We use the Peierls-Nabarro continuum mechanics model of dislocation nucleation, modified according to the results of atomistic simulations, to interpret the experimental results of fracture response in symmetric-tilt grain boundaries in Cu. We then directly perform Molecular Dynamics simulations of fracture propagation and dislocation emission from a microcrack placed in the interface plane of the symmetric-tilt (221)(221) grain boundary in fee Cu. Direction-dependent fracture response is observed in agreement with experiments, namely the microcrack advancing by brittle fracture along the [114] direction and being blunted by dislocation emission along the opposite [114] direction. Moreover, we are able to quantify important differences with respect to the continuum model due to the shielding of the stress field at the crack-tip and to the presence of the excess stress at the interface.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 377
Copyright
Copyright © Materials Research Society 1998

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References

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