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

Abstract

By performing molecular dynamics simulations of binary Lennard-Jones systems with three different potentials, we show that 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, (ii) the Tg-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).