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
Résumé
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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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.pdf (777.36 Ko)
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