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Formation of Two Glass Phases in Binary Cu-Ag Liquid

An, Qi and Johnson, William L. and Samwer, Konrad and Corona, Sydney L. and Goddard, William A., III (2020) Formation of Two Glass Phases in Binary Cu-Ag Liquid. Acta Materialia, 195 . pp. 274-281. ISSN 1359-6454. doi:10.1016/j.actamat.2020.05.060.

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The glass transition is alternatively described as either a dynamic transition in which there is a dramatic slowing down of the kinetics, or as a thermodynamic phase transition. To examine the physical origin of the glass transition in fragile Cu-Ag liquids, we employed molecular dynamics (MD) simulations on systems in the range of 32,000 to 2,048,000 atoms. Surprisingly, we identified a 1st order freezing transition from liquid (L) to metastable heterogenous solid-like phase, denoted as the G-glass, when a supercooled liquid evolves isothermally below its melting temperature at deep undercooling. In contrast, a more homogenous liquid-like glass, denoted as the L-glass, is achieved when the liquid is quenched continuously to room temperature with a fast cooling rate of ∼10¹¹ K/sec. We report a thermodynamic description of the L-G transition and characterize the correlation length of the heterogenous structure in the G-glass. The shear modulus of the G-glass is significantly higher than the L-glass, suggesting that the first order L-G transition is linked fundamentally to long-range elasticity involving elementary configurational excitations in the G-glass.

Item Type:Article
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URLURL TypeDescription
An, Qi0000-0003-4838-6232
Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2020 Acta Materialia Inc. Published by Elsevier Ltd. Received 19 March 2020, Revised 23 May 2020, Accepted 25 May 2020, Available online 30 May 2020. Q. A. is supported by the US. Nuclear Regulatory Commission (NRC) under Grant No. NRCHQ-84–15-G-0028. W.L.J and S.C. are supported by NSF grant with the award number DMR 1710744. K.S. is supported by the DFG, grant Sa337/10. The authors declare no competing financial interests.
Funding AgencyGrant Number
Nuclear Regulatory CommissionNRC-HQ-84-15-G-0028
Deutsche Forschungsgemeinschaft (DFG)Sa337/10
Subject Keywords:Metallic glasses; Glass transition; MD-simulation; Thermodynamics; Elasticity
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Record Number:CaltechAUTHORS:20200601-110249430
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Official Citation:Qi An, William L. Johnson, Konrad Samwer, Sydney L. Corona, William A. Goddard, Formation of two glass phases in binary Cu-Ag liquid, Acta Materialia, Volume 195, 2020, Pages 274-281, ISSN 1359-6454,
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:103600
Deposited By: Tony Diaz
Deposited On:01 Jun 2020 18:25
Last Modified:16 Nov 2021 18:23

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