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


Kurban M., ERKOÇ Ş.

COMPUTATIONAL MATERIALS SCIENCE, vol.122, pp.295-300, 2016 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 122
  • Publication Date: 2016
  • Doi Number: 10.1016/j.commatsci.2016.05.041
  • Journal Name: COMPUTATIONAL MATERIALS SCIENCE
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.295-300
  • Keywords: CdZnTe nanowires, Strain, Molecular dynamics, Bond order potential, CDTE

Abstract

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.