Nanoscale Structure and Structural Relaxation in Zr50Cu45Al5 Bulk Metallic Glass

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HWANG J., MELGAREJO Z. H. , Kalay Y. E. , KALAY I., KRAMER M. J. , STONE D. S. , ...More

PHYSICAL REVIEW LETTERS, vol.108, no.19, 2012 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 108 Issue: 19
  • Publication Date: 2012
  • Doi Number: 10.1103/physrevlett.108.195505
  • Title of Journal : PHYSICAL REVIEW LETTERS


Hybrid reverse Monte Carlo simulations of the structure of Zr50Cu45Al5 bulk metallic glass incorporating medium-range structure from fluctuation electron microscopy data and short-range structure from an embedded atom potential produce structures with significant fractions of icosahedral- and crystal-like atomic clusters. Similar clusters group together into nanometer-scale regions, and relaxation transforms crystal-like clusters into icosahedral clusters. A model refined against only the potential does not agree with the fluctuation microscopy data and contains few crystal-like clusters.