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cond-mat.stat-mech2022
A general relation between the largest nucleus and all nuclei distributions for free energy calculations
Joël Puibasset
Prediction of nucleation rates in first order phase transitions requires the knowledge of the barrier associated to the free energy profile . Molecular simulations offer a direc…
cond-mat.stat-mech2022★ 51 cited
Monte-Carlo Multiscale Simulation Study of Argon Adsorption/Desorption Hysteresis in Mesoporous Heterogeneous Tubular Pores like MCM-41 or Oxidized Porous Silicon
Joël Puibasset
In a recent paper [J. Chem. Phys. 127, 154701 (2007)], a multiscale approach was introduced which allowed the calculation of adsorption/desorption hysteresis for fluid confined in…