Local fivefold symmetry in liquid and undercooled Ni probed by x-ray absorption spectroscopy and computer simulations

A. Di Cicco, F. Iesari, S. De Panfilis, M. Celino, S. Giusepponi, A. Filipponi

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Abstract

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.
Original languageEnglish
Article number060102
Pages (from-to)-
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume89
Issue number6
DOIs
Publication statusPublished - 12 Feb 2014

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All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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