Molecular dynamics study of the binary Cu_(46)Zr_(54) metallic glass motivated by experiments: Glass formation and atomic-level structure

Creators: Duan, Gang; Xu, Donghua; Zhang, Qing; Zhang, Guoyun; Çağin, Tahir; Johnson, William L.; Goddard, William A., III

Abstract

We have identified a binary bulk metallic glass forming alloy Cu_(46_Zr_(54) by analyzing the structure and thermal behaviors of copper mold cast samples using x-ray diffraction, transmission electron microscopy, and differential scanning calorimeter. Motivated by these experimental results, we fitted the effective Rosato-Guillope-Legrand-type force field parameters for the binary Cu-Zr alloy system and the atomistic description of glass formation and structure analysis of the Cu_(46)Zr_(54) alloy based on molecular dynamics simulation will be also presented.

Additional Information

© 2005 The American Physical Society. (Received 7 December 2004; revised 8 March 2005; published 29 June 2005) We thank Professor Konrad Samwer and Jin-yoo Suh for many valuable discussions. This work was supported by the Defense Advanced Research Projects Agency (DARPA), Defense Sciences Office under ARO Grant No. DAAD19-01-0525 and the MRSEC Program (Center for the Science and Engineering Materials, CSEM) of the National Science Foundation under Award Number DMR-0080065. The facilities of the Materials and Process Simulation Center are also supported by the Department of Energy in addition to the National Science Foundation, ARO-MURI, MURI-ONR, General Motors, Chevron Texaco, Seiko-Epson, Nissan Corp., and the Beckman Institute.

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