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In this work, we report results of extensive computer simulations regarding the phase behavior of a core-softened system. By using structural and thermodynamic descriptors, as well as self-diffusion coefficients, we provide a comprehensive view of the rich phase behavior displayed by the particular instance of the model studied in here. Our calculations agree with previously published results focused on a smaller region in the temperature–density parameter space (Dudalov et al 2014 Soft Matter 10 4966). In this work, we explore a broader region in this parameter space, and uncover interesting fluid phases with low-symmetry local order, that were not reported by previous works. Solid phases were also found, and have been previously characterized in detail by (Kryuchkov et al 2018 Soft Matter 14 2152). Our results support previously reported findings, and provide new physical insights regarding the emergence of order as disordered phases transform into solids by providing radial distribution function maps and specific heat data. Our results are summarized in terms of a phase diagram.
Journal of Physics: Condensed Matter – IOP Publishing
Published: Apr 14, 2020
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