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arxiv: 1805.06874 · v2 · pith:MGUGPFPMnew · submitted 2018-05-17 · ❄️ cond-mat.soft · cond-mat.stat-mech· physics.chem-ph

Structural properties of the Jagla fluid

classification ❄️ cond-mat.soft cond-mat.stat-mechphysics.chem-ph
keywords jaglapotentialsimulationsfluidfunctionobtainedintegralpredictions
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The structural properties of the Jagla fluid are studied by Monte Carlo (MC) simulations, numerical solutions of integral equation theories, and the (semi-analytical) rational-function approximation (RFA) method. In the latter case, the results are obtained from the assumption (supported by our MC simulations) that the Jagla potential and a potential with a hard core plus an appropriate piecewise constant function lead to practically the same cavity function. The predictions obtained for the radial distribution function, $g(r)$, from this approach are compared against MC simulations and integral equations for the Jagla model, and also for the limiting cases of the triangle-well potential and the ramp potential, with a general good agreement. The analytical form of the RFA in Laplace space allows us to describe the asymptotic behavior of $g(r)$ in a clean way and compare it with MC simulations for representative states with oscillatory or monotonic decay. The RFA predictions for the Fisher--Widom and Widom lines of the Jagla fluid are obtained.

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