Surface tensions and stress tensors of liquid and solid clusters by molecular dynamics

Surface tension and pressure (stress) tensors ofLennard-Jones clusters, in the size range 200 ~ 2700atoms/cluster, formed from evaporating liquid droplets werecalculated in a Molecular Dynamics simulation. Icosahedralclusters have a much larger surface tension than decahedral,fcc, and hcp ones, meanwhile asymmetric icosahedral clustershave a lower surface tension. Fcc and hcp clusters have a verysmall surface tension. Decahedral clusters have a surfacetension closer to that of fcc and hcp ones than to that oficosahedral ones, though both icosahedral and decahedralstructures have five fold symmetry axis. Binary componentclusters have a higher surface tension than single componentones.