“…The resulting load–displacement data have then to be interpreted through appropriate models . Although there are complicated experimental aspects of bending tests mainly related to nanometrology, ,,, the interpretation of test results proved to be the most challenging task, as without a reliable nanomechanical model, the quantification of even the most basic properties such as stiffness and strength becomes an enormous task. ,,− The lack of such a sound modeling approach is in fact reflected by a series of conflicting observations including broad range of estimations for elastic and strength properties , and significant differences between experimental and computational findings. ,,,,,,, Models usually suffer from a poor description of surface-related phenomena ,, and inconsistent use of constitutive surface models as well as nonlinear elasticity. ,, In this context, an effective model should involve the implementation of the following three sets of parameters: - Native oxide, essentially amorphous silicon dioxide (aSiO 2 ), is an indispensable part of the Si NW surface ,,, and thus affects the NW structure by introducing defects or other interfaces. , Although usually overlooked, a recent study has revealed tensile intrinsic stresses in Si NWs upon native oxide formation under ambient conditions . Atomistic simulations also exhibit a reduction in the modulus of elasticity of Si NWs to be as much as 40% due to native oxide surface condition while compared to the pristine surface state. ,, Similar reduction in the ultimate strength is estimated to be up to 20%. ,,
- Appropriate interatomic potentials for atomistic simulations of surface stress and surface elasticity have to be introduced. ,, In this regard, surface stress is defined as the reversible work per unit area needed to elastically stretch a pre-existing surface. , Surface elastic constants represent the variation in bulk elastic constants due to the formation of a surface.
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