Phase behavior of Lennard-Jones particles in two dimensions

Yan-Wei Li and Massimo Pica Ciamarra
Phys. Rev. E 102, 062101 – Published 1 December 2020

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.

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  • Received 1 October 2020
  • Accepted 4 November 2020

DOI:https://doi.org/10.1103/PhysRevE.102.062101

©2020 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & Thermodynamics

Authors & Affiliations

Yan-Wei Li1 and Massimo Pica Ciamarra1,2,*

  • 1Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371, Singapore
  • 2CNR–SPIN, Dipartimento di Scienze Fisiche, Università di Napoli Federico II, I-80126, Napoli, Italy

  • *massimo@ntu.edu.sg

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Vol. 102, Iss. 6 — December 2020

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