Deformation behavior of an amorphous Cu[subscript 64.5]Zr[subscript 35.5] alloy: A combined computer simulation and experimental study

Journal Article · Thu Apr 02 04:00:00 EDT 2009 · J. Appl. Phys.

DOI:https://doi.org/10.1063/1.3043587· OSTI ID:1007076

Mendelev, M I; Ott, R T; Heggen, M; Feuerebacher, M; Kramer, M J; Sordelet, D J ^[1]

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1. Ames

Molecular dynamics (MD) simulations were performed to examine the temperature-dependent elastic properties and high-temperature deformation behavior of a Cu{sub 64.5}Zr{sub 35.5} 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 Cu{sub 64.5}Zr{sub 35.5} 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.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: USDOE
• OSTI ID: 1007076
• Journal Information: J. Appl. Phys., Journal Name: J. Appl. Phys. Journal Issue: (12) ; 2008 Vol. 104; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

36 MATERIALS SCIENCE
99 GENERAL AND MISCELLANEOUS
ALLOYS
COMPUTERIZED SIMULATION
DEFORMATION
ELASTICITY
GLASS
PLASTICS
TEMPERATURE DEPENDENCE