Anomalous phase behavior of a soft-repulsive potential with a strictly monotonic force

Abstract

We study the phase behavior of a classical system of particles interacting through a strictly convex soft-repulsive potential which, at variance with the pairwise softened repulsions considered so far in the literature, lacks a region of downward or zero curvature. Nonetheless, such interaction is characterized by two length scales, owing to the presence of a range of interparticle distances where the repulsive force increases, for decreasing distance, much more slowly than in the adjacent regions. We investigate, using extensive Monte Carlo simulations combined with accurate free-energy calculations, the phase diagram of the system under consideration. We find that the model exhibits a fluid-solid coexistence line with multiple re-entrant regions, an extremely rich solid polymorphism with solid-solid transitions, and water-like anomalies. In spite of the isotropic nature of the interparticle potential, we find that, among the crystal structures in which the system can exist, there are also a number of non-Bravais lattices, such as cI16 and diamond.

21 pages, 7 figures, in press on Phys. Rev. E

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• How to quantify structural anomalies in fluids?
• Waterlike anomalies in a 2D core-softened potential
• Unveiling the complex glassy dynamics of square shoulder systems: simulations and theory
• Structural properties of the Jagla fluid
• Cluster phases of penetrable rods on a line
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• On the accuracy of the melting curves drawn from modelling a solid as an elastic medium
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• Phase behavior of a double-Gaussian fluid displaying water-like features
• Density and structural anomalies in soft-repulsive dimeric fluids
• Investigation of the degree of local structural similarity between the parent-liquid and children-crystal states for a model soft matter system
• The FCC-BCC-Fluid triple point for model pair interactions with variable softness
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• Strongly first order melting of a two dimensional molecular solid
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• Nonequilibrium Processes in Repulsive Binary Mixtures
• Anomalous behavior and structure of a liquid of particles interacting through the harmonic-repulsive pair potential near the crystallization transition