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The effect of Ag,Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper
Authors:Georg Schusteritsch  Thomas D. Kühne  Zheng Xiao Guo  Efthimios Kaxiras
Affiliation:1. School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA.;2. Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University of Mainz, Mainz, Germany.;3. Department of Chemistry, University of Paderborn, Paderborn, Germany.;4. Department of Chemistry, University College London, London, United Kingdom.;5. London Centre for the Theory and Simulation of Materials, London, United Kingdom.;6. Department of Physics, Harvard University, Cambridge, MA, USA.
Abstract:
Keywords:Grain boundaries  grain boundary sliding  intergranular decohesion  density functional theory
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