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Crack-tip dislocation nanostructures in dynamical fracture of fcc metals : Amolecular dynamics study
Authors:Hajime Kimizuka   Hideo Kaburaki   Futoshi Shimizu  Ju Li
Affiliation:(1) Energy & Environment Technology Group, Science Division, The Japan Research Institute, Limited, Tokyo 102-0082, Japan;(2) Center for Promotion of Computational Science and Engineering, Japan Atomic Energy Research Institute, Tokyo 110-0015, Japan;(3) Department of Materials Science and Engineering, Ohio State University, Columbus, Ohio 43210, USA
Abstract:
Dynamic behavior of dislocations near a crack tip in an fcc lattice, studied through parallel molecular dynamics (MD) simulation with visualization facilitated by newly developed software, reveals three-dimensional features of dislocation nucleation and subsequent entanglement. Results obtained for copper and aluminum show multiple emissions of dislocation loops from the crack tip and incipient evolution of plastic deformation during crack extension. 〈100〉 dislocations are found to be emitted in aluminum at zero temperature, which however are unstable and subsequently disassociate into bundles of 
$$frac{1}{2}$$
langle110rangle dislocations. This revised version was published online in June 2006 with corrections to the Cover Date.
Keywords:aluminum  AtomEye  copper  dislocation emission  ductile fracture  Parallel Molecular Dynamics Stencil
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