Surface effects on the mechanical properties of rhodium nanowires by molecular dynamics simulations

ŞENGÜL S., Guner A. K., HÜNER V.

Physica B: Condensed Matter, cilt.622, 2021 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 622
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.physb.2021.413344
  • Dergi Adı: Physica B: Condensed Matter
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, INSPEC, Metadex, Civil Engineering Abstracts
  • Anahtar Kelimeler: Embedded atom method, Molecular dynamics simulations, Rhodium nanowires, Surface effects, Tensile deformation
  • Trakya Üniversitesi Adresli: Evet

Özet

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.