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

D.V. Louzguine-Luzgin (1, 2) , K. Georgarakis (3) , J. Andrieux (4, 5) , L. Hennet (6) , T. Morishita (2) , K. Nishio (2) , R.V. Belosludov (7)

1 WPI-AIMR - WPI Advanced Institute for Materials Research
2 AIST - National Institute of Advanced Industrial Science and Technology
3 Cranfield University
4 LMI - Laboratoire des Multimatériaux et Interfaces
5 ESRF - European Synchrotron Radiation Facility
6 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
7 Institute for Materials Research (Sendai)

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.

Mots clés: metallic glass; liquid; fragility; X-ray diffraction; structure; synchrotron radiation

Domaines: Science des matériaux [cond-mat.mtrl-sci]

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, 2020, 122, pp.106795. ⟨10.1016/j.intermet.2020.106795⟩. ⟨hal-02558904v2⟩