Kenneth C. Hass, William F. Schneider, et al.
Science
We present extensive molecular-dynamics simulations of small gold particles of N=100900 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. © 1991 The American Physical Society.
Kenneth C. Hass, William F. Schneider, et al.
Science
Fabio Pietrucci, Guido Gerra, et al.
Applied Physics Letters
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Physical Review Letters
Dominik Fischer, Wanda Andreoni, et al.
Chemical Physics Letters