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

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

2007-05-04

arxiv.org/abs/0705.0626v2

J. Chem. Phys. 127, 124504 (2007)

Physics

Condensed Matter

Statistical Mechanics

14 pages, 14 figures, minor revisions, one figure added

Scientific paper

10.1063/1.2773716

We reveal the existence of systematic variations of isobaric fragility in different supercooled Lennard-Jones binary mixtures by performing molecular dynamics simulations. The connection between fragility and local structures in the bulk is analyzed by means of a Voronoi construction. We find that clusters of particles belonging to locally preferred structures form slow, long-lived domains, whose spatial extension increases by decreasing temperature. As a general rule, a more rapid growth, upon supercooling, of such domains is associated to a more pronounced super-Arrhenius behavior, hence to a larger fragility.

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