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Phys. Rev. Lett. 77, 2495–2498 (1996)

Mechanical Instability of Oxidized Metal Clusters

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Massimo Celino, Fabrizio Cleri, Gregorio D'Agostino, and Vittorio Rosato
ENEA, Ente per le Nuove Tecnologie Energia e Ambiente, Divisione Materiali Avanzati, Centro Ricerche Casaccia, C.P. 2400, 00100 Roma A.D., Italy

Received 21 February 1996; published in the issue dated 16 September 1996

A mechanism to explain the complete oxidation of small metal clusters is proposed, based on the occurrence of a mechanical instability driven by the expansion of the progressively oxidized cluster surface and the subsequent stress relaxation. Molecular dynamics simulations of spherical Pd clusters show that an expanded surface layer is capable of straining the inner core of the cluster up to the point of inducing cavitation. These findings allow the interpretation of recent experimental results in which oxidized Pd clusters exhibit a hollow spherical shape.

© 1996 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.77.2495
DOI:
10.1103/PhysRevLett.77.2495
PACS:
61.46.+w, 62.40.+i, 81.05.Bx