Surface-stress-induced phase transformation in metal nanowires.

Journal Article (Journal Article)

Several researchers have demonstrated, through experiments and analysis, that the structure and properties of nanometre-scale materials can be quite different to those of bulk materials due to the effect of surfaces. Here we use atomistic simulations to study a surface-stress-induced phase transformation in gold nanowires. The emergence of the transformation is controlled by wire size, initial orientation, boundary conditions, temperature and initial cross-sectional shape. For a <100> initial crystal orientation and wire cross-sectional area below 4 nm(2), surface stresses alone cause gold nanowires to transform from a face-centred-cubic structure to a body-centred-tetragonal structure. The transformation occurs roughly when the compressive stress caused by tensile surface-stress components in the length direction exceeds the compressive stress required to transform bulk gold to its higher energy metastable crystal structure.

Full Text

Duke Authors

Cited Authors

  • Diao, J; Gall, K; Dunn, ML

Published Date

  • October 1, 2003

Published In

Volume / Issue

  • 2 / 10

Start / End Page

  • 656 - 660

PubMed ID

  • 12958594

Electronic International Standard Serial Number (EISSN)

  • 1476-4660

International Standard Serial Number (ISSN)

  • 1476-1122

Digital Object Identifier (DOI)

  • 10.1038/nmat977


  • eng