Silicon nanowires have attracted considerable interest due to their
wide-ranging applications in nanoelectromechanical systems and nanoelectronics.
Molecular dynamics simulations are powerful tools for studying the mechanical
properties of nanowires. However, these simulations encounter challenges in
interpreting the mechanical behavior and brittle to ductile transition of
silicon nanowires, primarily due to surface effects such as the assumption of
an unreconstructed surface state. This study specifically focuses on the
tensile deformation of silicon nanowires with a native oxide layer, considering
critical parameters such as cross-sectional shape, length-to-critical dimension
ratio, temperature, the presence of nano-voids, and strain rate. By
incorporating the native oxide layer, the article aims to provide a more
realistic representation of the mechanical behavior for different critical
dimensions and crystallographic orientations of silicon nanowires. The findings
contribute to the advancement of knowledge regarding size-dependent elastic
properties and strength of silicon nanowires.Comment: 11 pages, 10 figure