Phase behavior of Lennard-Jones particles in two dimensions

Yan Wei Li, Massimo Pica Ciamarra*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)

Abstract

The phase diagram of the prototypical two-dimensional Lennard-Jones (LJ) system, while extensively investigated, is still debated. In particular, there are controversial results in the literature with regard to the existence of the hexatic phase and the melting scenario. Here we study the phase behavior of two-dimensional range-limited LJ particles via large-scale numerical simulations. We demonstrate that at a high temperature, when the attraction in the potential plays a minor role, melting occurs via a continuous solid-hexatic transition followed by a first-order hexatic-fluid transition. The hexatic phase occurs in a density range that vanishes as the temperature decreases so that at low-Temperature melting occurs via a first-order liquid-solid transition. The temperature where the hexatic phase disappears is well above the liquid-gas critical temperature. The evolution of the density of topological defects confirms this scenario.

Original languageEnglish
Article number062101
JournalPhysical Review E
Volume102
Issue number6
DOIs
Publication statusPublished - 1 Dec 2020
Externally publishedYes

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