High--order jamming crossovers and density anomalies

TL;DR

This paper explores high-order jamming crossovers in particle systems, revealing their role in causing density anomalies and non-monotonic bulk modulus behavior, with implications for understanding material properties.

Contribution

It introduces the concept of high-order jamming crossovers and links them to density anomalies and vibrational spectra in particle systems.

Findings

High-order jamming crossovers originate from coordination shell collapse.

These crossovers cause non-monotonic bulk modulus variation with density.

Density anomalies include increased diffusivity and negative thermal expansion.

Abstract

We demonstrate the existence of high--order jamming crossovers in systems of particles with repulsive contact interactions, which originate from the collapse of successive coordination shells. At zero temperature, these crossovers induce an anomalous behavior of the bulk modulus, which varies non--monotonically with the density, while at finite temperature they induce density anomalies consisting in an increased diffusivity upon isothermal compression and in a negative thermal expansion coefficient. We rationalize the dependence of these crossovers on the softness of the interaction potential, and relate the jamming crossovers and the anomalous diffusivity through the investigation of the vibrational spectrum.