Close-packing transitions in clusters of Lennard-Jones spheres - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Computing Letters Année : 2005

Close-packing transitions in clusters of Lennard-Jones spheres

Résumé

The structures of clusters of spherical and homogeneous particles are investigated using a combination of global optimization methods. The pairwise potential between particles is integrated exactly from elementary Lennard-Jones interactions, and the use of reduced units allows us to get insight into the effects of the particle diameter. As the diameter increases, the potential becomes very sharp, and the cluster structure generally changes from icosahedral (small radius) to close-packed cubic (large radius), possibly through intermediate decahedral shapes. The results are interpreted in terms of the effective range of the potential.

Domaines

Génie chimique
Fichier principal
Vignette du fichier
gerbaud_16.pdf (305.65 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03601717 , version 1 (08-03-2022)

Identifiants

Citer

Florent Calvo, Mohammed Benali, Vincent Gerbaud, Mehrdji Hemati. Close-packing transitions in clusters of Lennard-Jones spheres. Computing Letters, 2005, 1 (4), pp.183-191. ⟨10.1163/157404005776611295⟩. ⟨hal-03601717⟩
29 Consultations
7 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More