TITLE

Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures

AUTHOR(S)
Coslovich, D.; Pastore, G.
PUB. DATE
September 2007
SOURCE
Journal of Chemical Physics;9/28/2007, Vol. 127 Issue 12, p124504
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The existence of systematic variations of isobaric fragility in different supercooled Lennard-Jones binary mixtures is revealed by molecular dynamics simulations. The connection between fragility and local structures in the bulk is analyzed by means of a Voronoi construction. It is found that clusters of particles belonging to locally preferred structures form slow, long-lived domains, whose spatial extension increases with decreasing temperature. As a general rule, a more rapid growth, upon supercooling, of such domains is associated with a more pronounced super-Arrhenius behavior, and hence to a larger fragility.
ACCESSION #
26911374

 

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