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Atomistic Simulation of Dislocation-Defect Interactions in Cu

Published online by Cambridge University Press:  21 March 2011

B. D. Wirth,
V. V. Bulatov and
T. Diaz de la Rubia
B. D. Wirth*
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550
V. V. Bulatov
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550
T. Diaz de la Rubia
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550
*
a Corresponding author contact information: phone (925) 424-9822, fax (925) 423-7040, wirth4@llnl.gov
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Abstract

The mechanisms of dislocation-defect interactions are of practical importance for developing quantitative structure-property relationships, mechanistic understanding of plastic flow localization and predictive models of mechanical behavior in metals under irradiation. In copper and other face centered cubic metals, high-energy particle irradiation produces hardening and shear localization. Post-irradiation microstructural examination in Cu reveals that irradiation has produced a high number density of nanometer sized stacking fault tetrahedra. Thus, the resultant irradiation hardening and shear localization is commonly attributed to the interaction between stacking fault tetrahedra and mobile dislocations, although the mechanism of this interaction is unknown. In this work, we present a comprehensive molecular dynamics simulation study that characterizes the interaction and fate of moving dislocations with stacking fault tetrahedra in Cu using an EAM interatomic potential. This work is intended to produce atomistic input into dislocation dynamics simulations of plastic flow localization in irradiated materials.

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