Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems. - Archive ouverte HAL
Article Dans Une Revue Molecular Physics Année : 2014

Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems.

E. Bourasseau
Aziz Ghoufi
Patrice Malfreyt

Résumé

Monte Carlo simulations of heterogeneous systems of tin at liquid–vapour equilibrium have been performed at several temperatures from 600 to 1500 K, using a modified embedded atom model potential. Surface tension of the corresponding planar interfaces has been evaluated using the test area method. Calculation results are in good agreement with experiments presenting a maximum deviation of 10% from experiments. In addition, the Monte Carlo simulations provide a temperature coefficient (the derivative of the surface tension in regard with temperature) in reasonable agreement with the experimental coefficient.

Domaines

Chimie
Fichier non déposé

Dates et versions

hal-01084903 , version 1 (20-11-2014)

Identifiants

Citer

E. Bourasseau, G. Filippini, Aziz Ghoufi, Patrice Malfreyt. Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems.. Molecular Physics, 2014, 112, pp.2654-2657. ⟨10.1080/00268976.2014.90166⟩. ⟨hal-01084903⟩
121 Consultations
0 Téléchargements

Altmetric

Partager

More