Mechanics of Silicon Nanowires: DFT Calculations of Size-dependent Elasticity
R.E. Rudd, B. Lee
Lawrence Livermore National Laboratory, US
Keywords: nanowire, elasticity, Young’s modulus
Abstract:We calculate the Young’s modulus and other mechanical properties of silicon nanowires from first principles using density functional theory. We use classical molecular dynanmics and analytic continuum mechanics to understand the results. Both hydrogen passivated and bare silicon nanowires are considered.