Physics – Condensed Matter – Materials Science
Scientific paper
2005-04-27
Phys. Rev. Lett. 95 116101 (2005)
Physics
Condensed Matter
Materials Science
7 pages, 6 figures
Scientific paper
10.1103/PhysRevLett.95.116101
We have used molecular dynamics simulations to construct a microcanonical caloric curve for a 1415-atom Ni icosahedron. Prior to melting the Ni cluster exhibits static solid-liquid phase coexistence. Initially a partial icosahedral structure coexists with a non-wetting melt. However at energies very close to the melting point the icosahedral structure is replaced by a truncated decahedral structure which is almost fully wet by the melt. This structure remains until the cluster fully melts. The transition appears to be driven by a preference for the melt to wet the decahedral structure.
Hendy Shaun C.
Schebarchov D.
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