Mechanical properties of CdZnTe nanowires under uniaxial stretching and compression: A molecular dynamics simulation study

Kurban M., ERKOÇ Ş.

COMPUTATIONAL MATERIALS SCIENCE, cilt.122, ss.295-300, 2016 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 122
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1016/j.commatsci.2016.05.041
  • Dergi Adı: COMPUTATIONAL MATERIALS SCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.295-300
  • Anahtar Kelimeler: CdZnTe nanowires, Strain, Molecular dynamics, Bond order potential, CDTE
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

Structural and mechanical properties of ternary CdZnTe nanowires have been investigated by performing molecular dynamics simulations using an atomistic potential. The simulation procedures are carried out as uniaxial stretching and compression at 1 K and 300 K. The results demonstrate that the mechanical properties of CdZnTe ternary nanowires show significantly a dependence on size and temperature under uniaxial stretching and compression. (C) 2016 Elsevier B.V. All rights reserved.