A locally preferred structure characterises all dynamical regimes of a supercooled liquid

  • Ryan Soklaski
  • , Vy Tran
  • , Zohar Nussinov
  • , K. F. Kelton
  • , Li Yang

Research output: Contribution to journalArticlepeer-review

49 Scopus citations

Abstract

Recent experimental results suggest that metallic liquids universally exhibit a higherature dynamical crossover, which is correlated with the glass transition temperature (). We demonstrate, using molecular dynamics results for, that this temperature, is linked with cooperative atomic rearrangements that produce domains of connected icosahedra. Supercooling to a new characteristic temperature, is shown to produce higher order cooperative rearrangements amongst connected icosahedra, which manifests as the formation of large Zr-rich connected domains that possess macroscopic proportions of the liquids icosahedra. This coincides with the decoupling of atomic diffusivities, large-scale domain fluctuations and the onset of glassy dynamics in the liquid. These extensive domains then abruptly stabilise above and eventually percolate before the glass is formed. All characteristic temperatures (, and) are thus connected by successive manifestations of the structural cooperativity that begins at.

Original languageEnglish
Pages (from-to)1212-1227
Number of pages16
JournalPhilosophical Magazine
Volume96
Issue number12
DOIs
StatePublished - Apr 22 2016

Keywords

  • Supercooled liquids
  • metallic glasses
  • molecular dynamic simulations

Fingerprint

Dive into the research topics of 'A locally preferred structure characterises all dynamical regimes of a supercooled liquid'. Together they form a unique fingerprint.

Cite this