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Journal of Nanomaterials
Volume 2012 (2012), Article ID 453062, 8 pages
http://dx.doi.org/10.1155/2012/453062
Research Article

Cubic-to-Tetragonal Phase Transitions in Ag–Cu Nanorods

Dipartimento di Ingegneria Chimica e Materiali, Università degli Studi di Cagliari, Piazza d’Armi, 09123 Cagliari, Italy

Received 19 December 2011; Accepted 13 February 2012

Academic Editor: Grégory Guisbiers

Copyright © 2012 Francesco Delogu and Michele Mascia. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Molecular dynamics simulations have been used to investigate the structural behavior of nanorods with square cross section. The nanorods consist of pure Ag and Cu phases or of three Ag and Cu domains in the sequence Ag–Cu–Ag or Cu–Ag–Cu. Ag and Cu domains are separated by coherent interfaces. Depending on the side length and the size of individual domains, Ag and Cu can undergo a transition from the usual face-centered cubic structure to a body-centered tetragonal one. Such transition can involve the whole nanorod, or only the Ag domains. In the latter case, the transition is accompanied by a loss of coherency at the Ag–Cu interfaces, with a consequent release of elastic energy. The observed behaviors are connected with the stresses developed at the nanorod surfaces.