Surface excess elasticity of gold: ab initio coefficients and impact on the effective elastic response of nanowires

Beatrix A. M. Elsner, Stefan Müller, Swantje Bargmann & Jörg Weissmüller
Predicting the influence of the surface on the effective elastic properties of nanoscale structures and nanomaterials remains a challenge, which we here address on both levels, continuum and atomic. Density Functional Theory (DFT) computation at the atomic level yields the first reliable surface excess elastic parameters for the (111) and (001) surfaces of gold. At the continuum level, we derive closed-form expressions for the effective elastic behavior that can be combined with the DFT-derived excess...
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.