Presence and significance of fivefold configurations in liquid metals are investigated by combining x-ray absorption spectroscopy and computer simulations (molecular dynamics and reverse Monte Carlo) in liquid and undercooled liquid nickel. We show that icosahedral short-range ordering (ISRO), probed by common-neighbor (CNA) and spherical invariant (Wî6) analysis, involves a limited fraction (14-18% in undercooled nickel for different structural models) of local atomic configurations. The emerging picture for the liquid structure is that of a mixture of nearly icosahedral structures embedded in a disordered network mainly composed of fragments of highly distorted icosahedra (40-45% of the total), structures reminiscent of the crystalline phase, and other configurations. © 2014 American Physical Society.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 12 Feb 2014|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
Di Cicco, A., Iesari, F., De Panfilis, S., Celino, M., Giusepponi, S., & Filipponi, A. (2014). Local fivefold symmetry in liquid and undercooled Ni probed by x-ray absorption spectroscopy and computer simulations. Physical Review B - Condensed Matter and Materials Physics, 89(6), -. . https://doi.org/10.1103/PhysRevB.89.060102