X-ray and neutron scattering measurements of ordering in a Cu46Zr54 liquid

R Dai; J C Neuefeind; D G Quirinale; K F Kelton

doi:10.1063/5.0003816

X-ray and neutron scattering measurements of ordering in a Cu₄₆Zr₅₄ liquid

J Chem Phys. 2020 Apr 30;152(16):164503. doi: 10.1063/5.0003816.

Authors

R Dai¹, J C Neuefeind², D G Quirinale³, K F Kelton¹

Affiliations

¹ Institute of Materials Science and Engineering, Washington University in St. Louis, St. Louis, Missouri 63130, USA.
² Neutron Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
³ Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

PMID: 32357795
DOI: 10.1063/5.0003816

Abstract

The structural evolution of the equilibrium and supercooled Cu₄₆Zr₅₄ liquids was investigated with a combination of elastic neutron scattering (with isotopic substitution) and synchrotron x-ray scattering studies. The partial pair correlation functions were determined over a wide temperature range (∼270 °C). These show that the Cu-Cu and Zr-Zr ordering increases as the temperature decreases, while the Cu-Zr ordering decreases. This surprising result is in contradiction with the results from molecular dynamics studies.