Surface tensions and stress tensors of liquid and solid clusters by molecular dynamics
National Institute of Advanced Industrial Science and Technology, Tsukuba, 305-8568, Japan
2 Laboratoire de Physique des Solides, Université Paris-Sud, 91405 Orsay Cedex, France
Corresponding author: a firstname.lastname@example.org
Published online: 3 July 2003
Surface tension and pressure (stress) tensors of Lennard-Jones clusters, in the size range atoms/cluster, formed from evaporating liquid droplets were calculated in a Molecular Dynamics simulation. Icosahedral clusters have a much larger surface tension than decahedral, fcc, and hcp ones, meanwhile asymmetric icosahedral clusters have a lower surface tension. Fcc and hcp clusters have a very small surface tension. Decahedral clusters have a surface tension closer to that of fcc and hcp ones than to that of icosahedral ones, though both icosahedral and decahedral structures have five fold symmetry axis. Binary component clusters have a higher surface tension than single component ones.
PACS: 36.40.-c – Atomic and molecular clusters / 61.46.+w – Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 68.03.Cd – Surface tension and related phenomena / 82.20.Wt – Computational modeling; simulation
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003