Two-step melting of the Weeks-Chandler-Anderson system in two dimensions

Soft Matter. 2021 Mar 28;17(12):3473-3485. doi: 10.1039/d0sm01484b. Epub 2021 Mar 3.

Abstract

We present a detailed numerical simulation study of a two-dimensional system of particles interacting via the Weeks-Chandler-Anderson potential, the repulsive part of the Lennard-Jones potential. With the reduction of density, the system shows a two-step melting: a continuous melting of solid to hexatic phase, followed by a first-order melting of hexatic to liquid. The solid-hexatic melting is consistent with the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKTHNY) scenario and shows dislocation unbinding. The first-order melting of the hexatic to the liquid phase, on the other hand, displays defect-strings formed at the hexatic-liquid interfaces. We present a detailed phase diagram in the density-temperature plane.