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

Louzguine-Luzgin, D. V.Georgarakis, KonstantinosAndrieux, J.Hennet, L.Morishita, T.Nishio, K.Belosludov, R. V.2020-06-122020-06-122020-04-29Louzguine DV, Georgarakis K, Andrieux J, et al., (2020) 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, Volume 122, July 2020, Article number 1067950966-9795https://doi.org/10.1016/j.intermet.2020.106795https://dspace.lib.cranfield.ac.uk/handle/1826/15488Structural 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.enAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Metallic glassLiquidFragilityX-ray diffractionStructureSynchrotron radiationAn 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 simulationArticle