The Structure and Stability of Atomic Liquids: From Clusters to Bulk

Jonathan P. K. Doye and David J. Wales

Science 271, 484-487 (1996)


New insights into the structure of simple liquids are gained by analysing the effect of the range of the interatomic forces on the multidimensional potential energy surfaces of bulk material and clusters. A microscopic understanding is provided of how the liquid phase is destabilised in systems with very short-ranged interparticle forces. For small clusters bound by long-ranged interatomic forces the lowest energy minimum has an amorphous structure typical of the liquid-like state. This suggests an explanation for the transition from electronic to geometric magic numbers observed in the mass spectra of sodium clusters.

This abstract can also be found at Science Magazine Online and the full article is available from JSTOR.

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