Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures
Year: 2007
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.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.2773716
Authors: D. Coslovich, G. Pastore
Institution: University of Trieste
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2085049727