Atomistic simulations of copper oxidation and Cu/Cu2O interfaces using charge-optimized many-body potentials

Bryce Devine,1 Tzu-Ray Shan( ),1 Yu-Ting Cheng( ),1 Alan J. H. McGaughey,1,2 Minyoung Lee,2 Simon R. Phillpot,1 and Susan B. Sinnott1,* 1Department of Materials Science and Engineering, University of Florida, Gainesville, FL 32611-6400, USA 2Department of Mechanical Engineering, Carnegie-Mellon University, Pittsburgh, PA, 15213, USA (Received 14 February 2011; revised manuscript received 21 July 2011; published 12 September 2011)

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