Solid-liquid phase coexistence and structural transitions in palladium clusters

Details Solid-liquid phase coexistence and structural transitions in palladium clusters Solid-liquid phase coexistence and structural transitions in palladium clusters

2006-01-13

arxiv.org/abs/cond-mat/0601275v2

Physical Review B 73, 121402(R), 2006

Physics

Condensed Matter

Other Condensed Matter

8 pages, 6 figures

Scientific paper

10.1103/PhysRevB.73.121402

We use molecular dynamics with an embedded atom potential to study the behavior of palladium nanoclusters near the melting point in the microcanonical ensemble. We see transitions from both fcc and decahedral ground state structures to icosahedral structures prior to melting over a range of cluster sizes. In all cases this transition occurs during solid-liquid phase coexistence and the mechanism for the transition appears to be fluctuations in the molten fraction of the cluster and subsequent recrystallization into the icosahedral structure.

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