First-principles prediction and experimental verification of glass-forming ability in Zr-Cu binary metallic glasses

C. Y. Yu, X. J. Liu, J. Lu, Guangping Zheng, C. T. Liu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

29 Citations (Scopus)


In the field of metallic materials with amorphous structures, it is vitally important to understand the glass formation and to predict glass-forming ability (GFA) in terms of constituent elements and alloy compositions. In this study, an expression has been formulated from first-principles calculations to predict the trend of GFA by hybridizing both internal energies and atomic-scale defect structures. The prediction of GFA from compositions has been verified successfully by available experimental data in the model Zr-Cu alloy system. The physical scenario revealed here has extensive implications for the design of bulk metallic glasses with superior GFA.
Original languageEnglish
Article number2124
JournalScientific Reports
Publication statusPublished - 18 Jul 2013

ASJC Scopus subject areas

  • General

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