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


  • We have identified a binary bulk metallic glass forming alloy Cu46Zr54 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 Cu46Zr54 alloy based on molecular dynamics simulation will be also presented. 2005 The American Physical Society.

published proceedings


author list (cited authors)

  • Duan, G., Xu, D. H., Zhang, Q., Zhang, G. Y., Cagin, T., Johnson, W. L., & Goddard, W. A.

citation count

  • 214

complete list of authors

  • Duan, G||Xu, DH||Zhang, Q||Zhang, GY||Cagin, T||Johnson, WL||Goddard, WA

publication date

  • June 2005