Revisiting the single-saddle model for the β-relaxation of supercooled liquids

Abstract

The dynamics of glass-forming liquids display several outstanding features, such as two-step relaxation and dynamic heterogeneities, which are difficult to predict quantitatively from first principles. In this work, we revisit a simple theoretical model of the β-relaxation, i.e., the first step of the relaxation dynamics. The model, first introduced by Cavagna et al. [J. Phys. A: Math. Gen. 36, 10721 (2003)], describes the dynamics of the system in the neighborhood of a saddle point of the potential energy surface. We extend the model to account for density–density correlation functions and for the four-point dynamic susceptibility. We obtain analytical results for a simple schematic model, making contact with related results for p-spin models and with the predictions of inhomogeneous mode-coupling theory. Building on recent computational advances, we also explicitly compare the model predictions against overdamped Langevin dynamics simulations of a glass-forming liquid close to the mode-coupling crossover. The agreement is quantitative at the level of single-particle dynamic properties only up to the early β-regime. Due to its inherent harmonic approximation, however, the model is unable to predict the dynamics on the time scale relevant for structural relaxation. Nonetheless, our analysis suggests that the agreement with the simulations may be largely improved if the modes’ spatial localization is properly taken into account.