Surface-stress-induced phase transformation in metal nanowires

Nat Mater. 2003 Oct;2(10):656-60. doi: 10.1038/nmat977. Epub 2003 Sep 7.

Abstract

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.

Publication types

  • Evaluation Study
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Crystallization*
  • Crystallography / methods*
  • Electric Wiring / instrumentation*
  • Electric Wiring / methods
  • Energy Transfer
  • Gold / chemistry*
  • Macromolecular Substances
  • Materials Testing / methods
  • Models, Chemical
  • Models, Molecular*
  • Molecular Conformation
  • Motion
  • Nanotechnology / instrumentation*
  • Nanotechnology / methods*
  • Stress, Mechanical
  • Surface Properties

Substances

  • Macromolecular Substances
  • Gold