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Phasie Transitions in Confined Molecularly-Thin Films

  • John H. Cushman (a1), D. J. Diestler (a2) and M. K. Schoin (a3)


Phase changes in Lennard-Jones (IJ) and Stockmayer fluids confined between two parallel fcc (100) planes of rigidly fixed IJ atoms are studied by means of mixed isostress-isostrain canonical and isostrain grand-canonical Monte Carlo methods, and a microcanonical ensemble molecular dynamics technique. A nonequilibrium continuum thermodynamic derivation of the constitutive laws for the basic slit-pore model is developed and an equilibrium statistical thermodynamics anolog is reviewed. Independent constitutive parameters are chosen from the list T, μ, Ēv or their thermodynamic duals μ, N, Tij where T is absolute temperature, μ is the chemical potential, Ēv is the infinitesimal strain tensor, N is the particle number, μ is the entropy and Tij is the Piola stress tensor.

Relaxation in monolayer films is studied via mean square displacement of an atom. The vicinal atoms are found to diffuse anomolously slow in accordance with a power-law relation.



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Phasie Transitions in Confined Molecularly-Thin Films

  • John H. Cushman (a1), D. J. Diestler (a2) and M. K. Schoin (a3)


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