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À propos de : Molecular Dynamics Simulation of Prewetting        

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  • Molecular Dynamics Simulation of Prewetting
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  • Large-scale molecular dynamics simulations are used to determine the phase diagram of a Lennard−Jonessystem with and without prewetting. The simulations show that the normal condensation in the homogeneousbulk system, in the case of an attractive solid surface, is extended with a single first-order prewetting phasetransition to a fluid layer of a thickness that varies from only one fluid layer for a strong attractive surfaceto a film of three layers of particles in the case of a weaker prewetting surface. A particle-structured surface(face-centered cubic (111)) has only marginal impact on the prewetting transition. The new triple-pointtemperature is significantly lower than the triple-point temperature for the bulk system.
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