Deformation behavior of an amorphous Cu64.5Zr35.5 alloy: A combined computer simulation and experimental study

TitleDeformation behavior of an amorphous Cu64.5Zr35.5 alloy: A combined computer simulation and experimental study
Publication TypeJournal Article
Year of Publication2008
AuthorsMendelev MI, Ott RT, Heggen M, Feuerebacher M, Kramer MJ, Sordelet DJ
Journal TitleJournal of Applied Physics
Volume104
Pages123532
Date Published12/15
ISBN Number0021-8979
Accession NumberISI:000262225100051
Keywords', bulk metallic glasses, copper alloys, elastic constants, FREE-VOLUME, high-temperature deformation, high-temperature effects, metallic glasses, molecular dynamics method, plastic deformation, s modulus, softening, structural re, young, zirconium alloys
Abstract

Molecular dynamics (MD) simulations were performed to examine the temperature-dependent elastic properties and high-temperature deformation behavior of a Cu64.5Zr35.5 amorphous alloy. From the simulations we find that the elastic constants of the amorphous solid and supercooled liquid exhibit an approximately linear temperature dependence. The predicted temperature dependence of the Young's modulus for the amorphous solid obtained from the MD simulations is in good agreement with experimental measurements using dynamic mechanical analysis. Furthermore, the high-temperature plastic deformation behavior determined by MD simulations is qualitatively in good agreement with results from plastic deformation experiments performed on 1 mm diameter Cu64.5Zr35.5 metallic glass rods at 698 K. Notably, the MD simulations reveal that the flow softening regime of the stress-strain curve corresponds to an increase in the free volume in the atomic structure. Moreover, the simulations indicate that the atomic mobility significantly increases within the same regime.

URL<Go to ISI>://000262225100051
DOI10.1063/1.3043587