Atomistic simulations of the yielding of gold nanowires

J. K. Diao and K. Gall and M. L. Dunn and J. A. Zimmerman, Acta Materialia, 54, 643-653 (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 LFA100RTA nanowire is less than 2.45 nm MU 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 LFB111

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