The L–G phase transition in binary Cu–Zr metallic liquids
2022 | journal article. A publication with affiliation to the University of Göttingen.
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An, Qi, William L. Johnson, Konrad Samwer, Sydney L. Corona, Yidi Shen, and William A. Goddard. "The L–G phase transition in binary Cu–Zr metallic liquids." Physical Chemistry Chemical Physics 24, no. 1 (2022): 497-506. https://doi.org/10.1039/D1CP04157F.
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Details
- Authors
- An, Qi; Johnson, William L.; Samwer, Konrad; Corona, Sydney L.; Shen, Yidi; Goddard, William A.
- Abstract
- An identified first-order glass transition from a liquid-like disordered phase (L-phase) to a heterogeneous, elastically rigid, solid-like phase (G-phase).
The authors recently reported that undercooled liquid Ag and Ag–Cu alloys both exhibit a first order phase transition from the homogeneous liquid (L-phase) to a heterogeneous solid-like G-phase under isothermal evolution. Here, we report a similar L–G transition and heterogenous G-phase in simulations of liquid Cu–Zr bulk glass. The thermodynamic description and kinetic features (viscosity) of the L-G-phase transition in Cu–Zr simulations suggest it corresponds to experimentally reported liquid–liquid phase transitions in Vitreloy 1 (Vit1) and other Cu–Zr-bearing bulk glass forming alloys. The Cu–Zr G-phase has icosahedrally ordered cores versus fcc/hcp core structures in Ag and Ag–Cu with a notably smaller heterogeneity length scale Λ . We propose the L–G transition is a phenomenon in metallic liquids associated with the emergence of elastic rigidity. The heterogeneous core–shell nano-composite structure likely results from accommodating strain mismatch of stiff core regions by more compliant intervening liquid-like medium.
An identified first-order glass transition from a liquid-like disordered phase (L-phase) to a heterogeneous, elastically rigid, solid-like phase (G-phase).
The authors recently reported that undercooled liquid Ag and Ag–Cu alloys both exhibit a first order phase transition from the homogeneous liquid (L-phase) to a heterogeneous solid-like G-phase under isothermal evolution. Here, we report a similar L–G transition and heterogenous G-phase in simulations of liquid Cu–Zr bulk glass. The thermodynamic description and kinetic features (viscosity) of the L-G-phase transition in Cu–Zr simulations suggest it corresponds to experimentally reported liquid–liquid phase transitions in Vitreloy 1 (Vit1) and other Cu–Zr-bearing bulk glass forming alloys. The Cu–Zr G-phase has icosahedrally ordered cores versus fcc/hcp core structures in Ag and Ag–Cu with a notably smaller heterogeneity length scale Λ . We propose the L–G transition is a phenomenon in metallic liquids associated with the emergence of elastic rigidity. The heterogeneous core–shell nano-composite structure likely results from accommodating strain mismatch of stiff core regions by more compliant intervening liquid-like medium. - Issue Date
- 2022
- Journal
- Physical Chemistry Chemical Physics
- ISSN
- 1463-9076
- eISSN
- 1463-9084
- Language
- English