Surface effects on the mechanical properties of rhodium nanowires by molecular dynamics simulations
Physica B: Condensed Matter, vol.622, 2021 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 622
- Publication Date: 2021
- Doi Number: 10.1016/j.physb.2021.413344
- Journal Name: Physica B: Condensed Matter
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, INSPEC, Metadex, Civil Engineering Abstracts
- Keywords: Embedded atom method, Molecular dynamics simulations, Rhodium nanowires, Surface effects, Tensile deformation
- Trakya University Affiliated: Yes
Abstract
This study comprehensively investigates the mechanical properties of rhodium (Rh) nanowires using molecular dynamics simulations in which the interactions were expressed by embedded atom method potentials and interprets their relation with the deformation process. We have observed that the stress-strain behavior of Rh nanowires is radically different from the bulk material. As the size increased, the Elastic Modulus of nanowires gradually decreases and saturates to reach bulk value. It is revealed that the mechanical response of thicker nanowires than the critical value of 2.8 nm size is characterized by the core atoms and the surface effects lose their dominance due to the stability of the core atoms. The high strain rates delay yielding and neck formation and can be used to design the strengthened thin Rh nanowires.