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A density functional theory of melting

Molecular Physics · 1984 · Vol. 52(1) · pp. 81–96

P. Tarazona✉(Universidad Autónoma de Madrid)

Abstract

Abstract A density functional model, based on the coarse grained density distribution is used to analyse the melting of hard spheres and discs. The role of the attractive interaction is modelled in a mean field approximation, to get the full solid-liquid-vapour phase diagram of a system with Lennard-Jones interactions.

Material Dynamics and Properties Phase Equilibria and Thermodynamics Theoretical and Computational PhysicsDensity functional theoryTheoretical physicsChemistryStatistical physicsPhysicsComputational chemistry

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