Molecular dynamics simulation study on the effect of crystal orientation on bi-crystal gold nanocrystals in nanoskiving process

Abstract

The internal defects of the material caused by the shear of nanoskiving have an important effect on the shape accuracy, mechanical properties, and electrical properties of nanowires. However, the plastic deformation mechanism of the material under the action of nanoskiving remains unclear. In this work, the effect of crystal orientations on the forming mechanism of nanowire of the bi-crystal gold nanocrystals in nanoskiving is investigated by molecular dynamics. The crystallographic orientation directly determines the morphology and size of the chip and contributes to the periodic changes in the dislocation density, shear angle, and increases in atomic stress, machining force. Morphology detection of nanowires prepared by corresponding nanoskiving experiments qualitatively verifies the molecular dynamics simulation results. This work provides new insight into the optimization of the nanoskiving process at the atomic scale.