Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glassy state?

By performing molecular dynamics simulations of binary Lennard-Jones systems with three different potentials, we show that the increase of anharmonicity and capacity for intermolecular coupling of the potential is the cause of (i) the increase of kinetic fragility and nonexponentiality in the liquid...

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Bibliographic Details
Published in:Physical review letters 2004-09, Vol.93 (10), p.105502-105502, Article 105502
Main Authors: Bordat, Patrice, Affouard, Frédéric, Descamps, Marc, Ngai, K L
Format: Article
Language:English
Subjects:
Chemical Sciences
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Summary:By performing molecular dynamics simulations of binary Lennard-Jones systems with three different potentials, we show that the increase of anharmonicity and capacity for intermolecular coupling of the potential is the cause of (i) the increase of kinetic fragility and nonexponentiality in the liquid state, and (ii) the T(g)-scaled temperature dependence of the nonergodicity parameter determined by the vibrations at low temperatures in the glassy state. Naturally, these parameters correlate with each other, as observed experimentally by T. Scopigno et al. [Science 302, 849 (2003)]
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.93.105502