Melting of small gold particles: Mechanism and size effects
Abstract
We present extensive molecular-dynamics simulations of small gold particles of N=100-900 atoms. We use a many-body interatomic potential of proven accuracy for gold surfaces. Structural properties are determined with various annealing strategies. Our results provide for the first time a microscopic description of the melting transition of metal clusters, revealing in particular the formation of a liquid skin as precursor effect for N>350. The experimentally observed sharp decrease of the melting temperature with decreasing size is recovered. Implications for larger sizes, as well as for other metals, are discussed.
- Publication:
-
Physical Review Letters
- Pub Date:
- February 1991
- DOI:
- 10.1103/PhysRevLett.66.911
- Bibcode:
- 1991PhRvL..66..911E
- Keywords:
-
- 64.70.Dv;
- 68.35.Bs;
- 82.65.Dp;
- Solid-liquid transitions;
- Structure of clean surfaces