TY - JOUR
T1 - A locally preferred structure characterises all dynamical regimes of a supercooled liquid
AU - Soklaski, Ryan
AU - Tran, Vy
AU - Nussinov, Zohar
AU - Kelton, K. F.
AU - Yang, Li
N1 - Publisher Copyright:
© 2016 Informa UK Limited, trading as Taylor & Francis Group.
PY - 2016/4/22
Y1 - 2016/4/22
N2 - 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.
AB - 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.
KW - Supercooled liquids
KW - metallic glasses
KW - molecular dynamic simulations
UR - https://www.scopus.com/pages/publications/84961204610
U2 - 10.1080/14786435.2016.1158427
DO - 10.1080/14786435.2016.1158427
M3 - Article
AN - SCOPUS:84961204610
SN - 1478-6435
VL - 96
SP - 1212
EP - 1227
JO - Philosophical Magazine
JF - Philosophical Magazine
IS - 12
ER -