Structure and metastability of superheated Al(111)

Details Structure and metastability of superheated Al(111) Structure and metastability of superheated Al(111)

1997-04-05

arxiv.org/abs/cond-mat/9704045v1

Phys. Rev. B 55, 16450 (1997)

Physics

Condensed Matter

Materials Science

7 pages, 3 figures, to be published in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.55.16450

The high-temperature properties of the Al(111) surface are studied by molecular-dynamics simulation. This surface does not melt below the bulk melting point, but can be superheated. Superheating of metal surfaces has been recently observed in several experiments. A molecular-dynamics study of the structural properties reveals how after going through the superheating regime melting occurs over the whole crystal in a narrow temperature range. The temperature dependence of the surface stress, the mean-square vibrational amplitudes and the anomalous outward expansion of the distance between two top layers are calculated. A transition from superheated to liquid state is analyzed using kinetic description for the formation of liquid nuclei by the Fokker-Planck equation and conservation of heat at the liquid-solid interface.

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