Abstract
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.
| Original language | English |
|---|---|
| Article number | 108321 |
| Number of pages | 12 |
| Journal | Materials Today Communications |
| Volume | 38 |
| Early online date | 13 Feb 2024 |
| DOIs | |
| Publication status | Published - Mar 2024 |
Bibliographical note
© 2024 Elsevier Ltd. This is an author-produced version of the published paper. Uploaded in accordance with the University’s Research Publications and Open Access policy.Keywords
- Elastic modulus
- Molecular dynamics
- Native oxide
- Silicon nanowire
- Tensile behavior