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Atomistic simulations of the yielding of gold nanowires

Publication ,  Journal Article
Diao, J; Gall, K; Dunn, ML; Zimmerman, JA
Published in: Acta Materialia
February 1, 2006

We performed atomistic simulations to study the effect of free surfaces on the yielding of gold nanowires. Tensile surface stresses on the surfaces of the nanowires cause them to contract along the length with respect to the bulk face-centered cubic lattice and induce compressive stress in the interior. When the cross-sectional area of a 〈100〉 nanowire is less than 2.45 nm × 2.45 nm, the wire yields under its surface stresses. Under external forces and surface stresses, nanowires yield via the nucleation and propagation of the {111}〈112〉 partial dislocations. The magnitudes of the tensile and compressive yield stress of 〈100〉 nanowires increase and decrease, respectively, with a decrease of the wire width. The magnitude of the tensile yield stress is much larger than that of the compressive yield stress for small 〈100〉 nanowires, while for small 〈111〉 nanowires, tensile and compressive yield stresses have similar magnitudes. The critical resolved shear stress (RSS) by external forces depends on wire width, orientation and loading condition (tension vs. compression). However, the critical RSS in the interior of the nanowires, which is exerted by both the external force and the surface-stress-induced compressive stress, does not change significantly with wire width for same orientation and same loading condition, and can thus serve as a "local" criterion. This local criterion is invoked to explain the observed size dependence of yield behavior and tensile/compressive yield stress asymmetry, considering surface stress effects and different slip systems active in tensile and compressive yielding. © 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Duke Scholars

Published In

Acta Materialia

DOI

ISSN

1359-6454

Publication Date

February 1, 2006

Volume

54

Issue

3

Start / End Page

643 / 653

Related Subject Headings

  • Materials
  • 5104 Condensed matter physics
  • 4017 Mechanical engineering
  • 4016 Materials engineering
  • 0913 Mechanical Engineering
  • 0912 Materials Engineering
  • 0204 Condensed Matter Physics
 

Citation

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MLA
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Diao, J., Gall, K., Dunn, M. L., & Zimmerman, J. A. (2006). Atomistic simulations of the yielding of gold nanowires. Acta Materialia, 54(3), 643–653. https://doi.org/10.1016/j.actamat.2005.10.008
Diao, J., K. Gall, M. L. Dunn, and J. A. Zimmerman. “Atomistic simulations of the yielding of gold nanowires.” Acta Materialia 54, no. 3 (February 1, 2006): 643–53. https://doi.org/10.1016/j.actamat.2005.10.008.
Diao J, Gall K, Dunn ML, Zimmerman JA. Atomistic simulations of the yielding of gold nanowires. Acta Materialia. 2006 Feb 1;54(3):643–53.
Diao, J., et al. “Atomistic simulations of the yielding of gold nanowires.” Acta Materialia, vol. 54, no. 3, Feb. 2006, pp. 643–53. Scopus, doi:10.1016/j.actamat.2005.10.008.
Diao J, Gall K, Dunn ML, Zimmerman JA. Atomistic simulations of the yielding of gold nanowires. Acta Materialia. 2006 Feb 1;54(3):643–653.
Journal cover image

Published In

Acta Materialia

DOI

ISSN

1359-6454

Publication Date

February 1, 2006

Volume

54

Issue

3

Start / End Page

643 / 653

Related Subject Headings

  • Materials
  • 5104 Condensed matter physics
  • 4017 Mechanical engineering
  • 4016 Materials engineering
  • 0913 Mechanical Engineering
  • 0912 Materials Engineering
  • 0204 Condensed Matter Physics