Structure and phase behavior of a two-dimensional system with core-softened and long-range repulsive interactions

Philip J. Camp
Phys. Rev. E 68, 061506 – Published 18 December 2003
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Abstract

The structure and phase behavior of a two-dimensional system with purely repulsive core-softened and long-range interactions are studied using Monte Carlo computer simulations. The pair interactions are of the form, u(r)=4ε[(σ/r)12(σ/r)6]+ε(σ/r)3, with the energy parameter, ε=(86/9)ε chosen to give a stationary point of inflection in the pair potential at r=61/6σ. This potential approximates the effective interparticle interactions for a two-dimensional dipolar system in a strong field aligned perpendicular to the plane. The low-temperature portion of the phase diagram is sketched out, and the static properties of the various phases are analyzed in some detail. At low temperatures a variety of interesting states are in evidence, including: fluids with chainlike, striped, and 6–10 sided polygon structural motifs; low-density and high-density triangular crystalline phases; and defective Kagomé lattices. It is shown that clustering is driven by the presence of the repulsive shoulder in the pair potential. Other features, such as the presence of a disordered phase with a network structure, are due to the long-range (1/r3) repulsive tail in the potential. The relevance of the simulation results to experimental work, including materials synthesis, is briefly discussed.

  • Received 4 August 2003

DOI:https://doi.org/10.1103/PhysRevE.68.061506

©2003 American Physical Society

Authors & Affiliations

Philip J. Camp*

  • School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh EH9 3JJ, United Kingdom

  • *Email address: philip.camp@ed.ac.uk

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Issue

Vol. 68, Iss. 6 — December 2003

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