Solid-solid and liquid-solid phase equilibria for the restricted primitive model
TL;DR: In this paper, a Monte Carlo simulation study is made of the phase diagram of the restricted primitive model and of the solid-liquid and solid-solid phase coexistence curves in particular, showing that at low temperatures, there is liquid-bcc coexistence and with increasing density there is bcc-fcc-coexistence.
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Abstract: A Monte Carlo simulation study is made of the phase diagram of the restricted primitive model and of the solid-liquid and solid-solid phase coexistence curves in particular. At low temperatures, there is liquid-bcc coexistence and with increasing density there is bcc-fcc coexistence. These coexistence curves end in a triple point (liquid-bcc-fcc) above which only liquid-fcc coexistence is observed.
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Citations
Determination of phase diagrams via computer simulation: Methodology and applications to water, electrolytes and proteins
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New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres
Daan Frenkel,Anthony J. C. Ladd +1 more
TL;DR: In this article, the authors presented a method to compute the absolute free energy of arbitrary solid phases by Monte Carlo simulation based on the construction of a reversible path from the solid phase under consideration to an Einstein crystal with the same crystallographic structure.