Structural heterogeneity and medium-range order in ZrxCu100-x metallic glasses

TitleStructural heterogeneity and medium-range order in ZrxCu100-x metallic glasses
Publication TypeJournal Article
Year of Publication2009
AuthorsLi M, Wang CZ, Hao SG, Kramer MJ, Ho KM
Journal TitlePhysical Review B
Date Published11/01
ISBN Number1098-0121
Accession NumberISI:000272310900051
Keywordsalloys, ATOMIC PACKING, copper alloys, GEOMETRY, glass structure, LIQUIDS, metallic glasses, model, molecular dynamics method, molecular-dynamics, total-energy calculations, transition, x-ray diffraction, zirconium alloys

Realistic three-dimensional atomistic structures of ZrxCu100-x (x=35,50) bulk metallic glasses are constructed using a combination of x-ray diffraction experiment and computational modeling. A cluster correlation method is developed to analyze the medium-range order in amorphous systems. We show that the glass systems consist of a stringlike backbone network formed by icosahedral clusters and a liquidlike structure filling in the remaining space. These findings are consistent with those obtained from our independent classical molecular-dynamics studies with embedded-atom method potential for ZrCu system. Such a heterogeneous structure provides a fundamental structural perspective of dynamical heterogeneity and glass formation.

URL<Go to ISI>://000272310900051