Simulation of reduced glass transition temperature of Cu-Zr alloys by molecular dynamics

Su Wen Kao, Chi Chuan Hwang, Tsung Shune Chin

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5 Citations (Scopus)

Abstract

Estimation of glass forming ability (GFA) of alloys by simulation before experimental trial and errors has long been a tempting pursuit in exploration of bulk metallic glasses. Reduced glass transition temperature (Trg) of Cux Zr100-x alloys (x=46, 50, 62) were simulated by molecular dynamics using tight-binding potentials. Glass transition temperature (Tg) and melting temperature (Tm) of each alloy were calculated separately to obtain Trg (= Tg / Tm) as an indicator of GFA. It is shown that the calculated Tg and Trg values of Cux Zr100-x alloys are in agreement with experimental data within 2%-8%, and 5%-11%, respectively. Simulation as such provides a possibility to preliminarily sort out alloys worthy of experimental trials.

Original languageEnglish
Article number064913
JournalJournal of Applied Physics
Volume105
Issue number6
DOIs
Publication statusPublished - 2009 Apr 9

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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