Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments: Glass formation and atomic-level structure

Gang Duan,1,* Donghua Xu,1 Qing Zhang,2 Guoyun Zhang,2 Tahir Cagin,3 William L. Johnson,1 and William A. Goddard III2 1W. M. Keck Laboratory of Engineering Materials, 138-78, California Institute of Technology, 1200 E California Boulevard, Pasadena, California 91125, USA 2Materials and Process Simulation Center, 139-74, California Institute of Technology, 1200 E California Boulevard, Pasadena, California 91125, USA 3Department of Chemical Engineering, Texas A&M University, College Station, Texas 77845, USA Received 7 December 2004; revised manuscript received 8 March 2005; published 29 June 2005