Contributor info: Dr Daniele Coslovich

Masanari Shimada, Daniele Coslovich, Hideyuki Mizuno, Atsushi Ikeda

SciPost Phys. 10, 001 (2021) · published 4 January 2021 | Toggle abstract · pdf

The phenomenology of glass-forming liquids is often described in terms of their underlying, high-dimensional potential energy surface. In particular, the statistics of stationary points sampled as a function of temperature provides useful insight into the thermodynamics and dynamics of the system. To make contact with the real space physics, however, analysis of the spatial structure of the normal modes is required. In this work, we numerically study the potential energy surface of a glass-forming ternary mixture. Starting from liquid configurations equilibrated over a broad range of temperatures using a swap Monte Carlo method, we locate the nearby stationary points and investigate the spatial architecture and the energetics of the associated unstable modes. Through this spatially-resolved analysis, originally developed to study local minima, we corroborate recent evidence that the nature of the unstable modes changes from delocalized to localized around the mode-coupling temperature. We find that the displacement amplitudes of the delocalized modes have a slowly decaying far field, whereas the localized modes consist of a core with large displacements and a rapidly decaying far field. The fractal dimension of unstable modes around the mobility edge is equal to 1, consistent with the scaling of the participation ratio. Finally, we find that around and below the mode-coupling temperature the unstable modes are localized around structural defects, characterized by a disordered local structure markedly different from the liquid's locally favored structure. These defects are similar to those associated to quasi-localized vibrations in local minima and are good candidates to predict the emergence of localized excitations at low temperature.

Daniele Coslovich, Andrea Ninarello, Ludovic Berthier

SciPost Phys. 7, 077 (2019) · published 6 December 2019 | Toggle abstract · pdf

We study the equilibrium statistical properties of the potential energy landscape of several glass models in a temperature regime so far inaccessible to computer simulations. We show that unstable modes of the stationary points undergo a localization transition in real space close to the mode-coupling crossover temperature determined from the dynamics. The concentration of localized unstable modes found at low temperature is a non-universal, finite dimensional feature not captured by mean-field glass theory. Our analysis reconciles, and considerably expands, previous conflicting numerical results and provides a characteristic temperature for glassy dynamics that unambiguously locates the mode-coupling crossover.

Misaki Ozawa, Ludovic Berthier, Daniele Coslovich

SciPost Phys. 3, 027 (2017) · published 12 October 2017 | Toggle abstract · pdf

We numerically study the jamming transition of frictionless polydisperse spheres in three dimensions. We use an efficient thermalisation algorithm for the equilibrium hard sphere fluid and generate amorphous jammed packings over a range of critical jamming densities that is about three times broader than in previous studies. This allows us to reexamine a wide range of structural properties characterizing the jamming transition. Both isostaticity and the critical behavior of the pair correlation function hold over the entire range of jamming densities. At intermediate length scales, we find a weak, smooth increase of bond orientational order. By contrast, distorted icosahedral structures grow rapidly with increasing the volume fraction in both fluid and jammed states. Surprisingly, at large scale we observe that denser jammed states show stronger deviations from hyperuniformity, suggesting that the enhanced amorphous ordering inherited from the equilibrium fluid competes with, rather than enhances, hyperuniformity. Finally, finite size fluctuations of the critical jamming density are considerably suppressed in the denser jammed states, indicating an important change in the topography of the potential energy landscape. By considerably stretching the amplitude of the critical "J-line", our work disentangles physical properties at the contact scale that are associated with jamming criticality, from those occurring at larger length scales, which have a different nature.