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keyword_s : Monte Carlo methods

Local pressure components and surface tension of spherical interfaces. Thermodynamic versus mechanical definitions. I. A mesoscale modeling of droplets

Aziz Ghoufi , Patrice Malfreyt
Journal of Chemical Physics, 2011, 135 (10), pp.4105. ⟨10.1063/1.3632991⟩
Article dans une revue hal-00714090v1

Structural and dynamical aspects of the phase transition in the new thiourea thiazolium bromide inclusion compound.

Aleksandra Pajzderska , Jan Wąsicki , H. Małuszyńska , Piotr Czarnecki , Loïc Toupet , et al.
Journal of Chemical Physics, 2008, 129 (10), pp.104501. ⟨10.1063/1.2972141⟩
Article dans une revue hal-00725125v1

Medium-range order in alkali metaphosphate glasses and melts investigated by reverse Monte Carlo simulations and diffraction analysis.

Sylvie Beaufils , Laurent Cormier , Monica Bionducci , Claude Ecolivet , Georges Calas , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2003, 67, pp.104201 (1-7). ⟨10.1103/PhysRevB.67.104201⟩
Article dans une revue hal-00085080v1

Monte Carlo calculation of the methane-water interfacial tension at high pressures

Frédéric Biscay , Aziz Ghoufi , Véronique Lachet , Patrice Malfreyt
Journal of Chemical Physics, 2009, 131 (12), pp.124707. ⟨10.1063/1.3236390⟩
Article dans une revue hal-00665475v1

Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects?

Frédéric Biscay , Aziz Ghoufi , Florent Goujon , Véronique Lachet , Patrice Malfreyt
Journal of Chemical Physics, 2009, 130 (18), pp.184710. ⟨10.1063/1.3132708⟩
Article dans une revue hal-00665326v1