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Article Dans Une Revue Molecular Physics Année : 2012

Stability of solid phases in the dipolar hard sphere system

Résumé

Free energy differences between solid phases of dipolar hard spheres are estimated by Monte Carlo simulation using a nonequilibrium work method. These calculations allow to determine which of the considered phases has the minimum free energy. The phase diagram which we obtain is confirmed by simulations in the isothermal-isobaric ensemble over a wide region of the density and temperature domain.

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Dates et versions

hal-00771582 , version 1 (09-01-2013)

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Dominique Levesque, Jean-Jacques Weis. Stability of solid phases in the dipolar hard sphere system. Molecular Physics, 2012, 109 (23-24), pp.2747-2756. ⟨10.1080/00268976.2011.610368⟩. ⟨hal-00771582⟩
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