The L–G phase transition in binary Cu–Zr metallic liquids

文献情報

出版日 2021-12-06

DOI 10.1039/D1CP04157F

インパクトファクター 3.676

著者

Qi An, William L. Johnson, Sydney L. Corona, Yidi Shen, William A. Goddard, III

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要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

The L–G phase transition in binary Cu–Zr metallic liquids

文献情報

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