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An atomistic study of the structural changes in a Zr–Cu–Ni–Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation

Abstract : Structural changes in the Zr55Cu30Ni5Al10 liquid alloy on cooling from above the equilibrium liquidus temperature are studied by synchrotron radiation X-ray diffraction and compared with the results of first-principles molecular dynamics simulation. In-situ vitrification of the studied alloy is achieved using a containerless levitation technique. Subsequent analysis of the atomic and electronic structure of the alloy in liquid and glassy states reveals formation of medium-range order on cooling and its relationship with liquid fragility. The structural changes in this alloy are smaller in comparison with a more fragile one.
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https://hal.archives-ouvertes.fr/hal-02558904
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Submitted on : Wednesday, April 29, 2020 - 11:22:12 PM
Last modification on : Sunday, June 14, 2020 - 3:52:07 PM

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D.V. Louzguine-Luzgin, K. Georgarakis, J. Andrieux, L. Hennet, T. Morishita, et al.. An atomistic study of the structural changes in a Zr–Cu–Ni–Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation. Intermetallics, Elsevier, 2020, 122, pp.106795. ⟨10.1016/j.intermet.2020.106795⟩. ⟨hal-02558904⟩

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