Abstract
Thermodynamic stabilities of microclusters have been studied using Monte Carlo simulation and an ab initio many-body potential. The mean-square fluctuation of the interparticle distance and the heat capacity were monitored as a function of temperature to illustrate thermal softening of these microclusters. The melting temperatures were found to be a strongly nonmonotonic function of size with and exhibiting unusual thermal stability while and , on the other hand, were found to undergo structural transition at fairly low temperatures as a precursor to melting.
- Received 28 May 1992
DOI:https://doi.org/10.1103/PhysRevB.46.7841
©1992 American Physical Society