Molecular dynamics study on size-dependent elastic properties of silicon nanoplates

Using molecular dynamics simulations, the size-dependent Young's moduli of silicon nanoplates due to surface effects are investigated at intrinsic scale. The transformations of surface reconstructions are discussed in terms of the difference between the total strain energy densities (uT) of the system from the MD and the specified strain energy densities (uC). An analytical prediction for the effective Young's modulus is derived for the intrinsic scale specimens, and it agrees well with MD simulations.

► The size-dependent Young's moduli of silicon nanoplates are investigated by MD. ► Surface reconstructions are discussed. ► An analytical prediction for the Young's modulus is derived.