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Nanoscale Structure and Structural Relaxation in Zr50Cu45Al5 Bulk Metallic Glass

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2012-05-11
HWANG, Jinwoo
MELGAREJO, Z. H.
Kalay, Yunus Eren
KALAY, I.
KRAMER, M. J.
STONE, D. S.
VOYLES, P. M.
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.