Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glassy state?
Résumé
The responsibility for the correlations between various dynamic, thermodynamic and vibrational properties of glass formers of the capacity for intermolecular coupling and the anharmonicity of the potential was analyzed. The analysis was done by performing molecular dynamics simulations of binary Lennard-Jones (LJ) systems with three different potentials. It was observed that the increase of the capacity for intermolecular coupling and anharmonicity has the effects of increasing the kinetic fragility and the nonexponentiality parameter in the liquid state and the Tg-scaled temperature dependence of the nonergodicity parameter in the glassy state. The results show that these parameters correlate with each other.