Contributor info: Dr Thibaud Maimbourg

Thibaud Maimbourg, Jeppe C. Dyre, Lorenzo Costigliola

SciPost Phys. 9, 090 (2020) · published 22 December 2020 | Toggle abstract · pdf

Liquids displaying strong virial-potential energy correlations conform to an approximate density scaling of their structural and dynamical observables. These scaling properties do not extend to the entire phase diagram, in general. The validity of the scaling can be quantified by a correlation coefficient. In this work a simple scheme to predict the correlation coefficient and the density-scaling exponent is presented. Although this scheme is exact only in the dilute gas regime or in high dimension d, the comparison with results from molecular dynamics simulations in d = 1 to 4 shows that it reproduces well the behavior of generalized Lennard-Jones systems in a large portion of the fluid phase.

Thibaud Maimbourg, Mauro Sellitto, Guilhem Semerjian, Francesco Zamponi

SciPost Phys. 4, 039 (2018) · published 26 June 2018 | Toggle abstract · pdf

Packing spheres efficiently in large dimension $d$ is a particularly difficult optimization problem. In this paper we add an isotropic interaction potential to the pure hard-core repulsion, and show that one can tune it in order to maximize a lower bound on packing density. Our results suggest that exponentially many (in the number of particles) distinct disordered sphere packings can be effectively constructed by this method, up to a packing fraction close to $7\, d\, 2^{-d}$. The latter is determined by solving the inverse problem of maximizing the dynamical glass transition over the space of the interaction potentials. Our method crucially exploits a recent exact formulation of the thermodynamics and the dynamics of simple liquids in infinite dimension.