Molecular Dynamics Simulations of ZnO Nanostructures Under Strain: II-Nanorods

Kilic M. E., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, cilt.10, sa.1, ss.112-118, 2013 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 10 Sayı: 1
  • Basım Tarihi: 2013
  • Doi Numarası: 10.1166/jctn.2013.2665
  • Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.112-118
  • Anahtar Kelimeler: ZnO, Zinc Oxide Nanostructures, Nanorods, Molecular Dynamic Simulation, Emprical Atomistic Potential, ROOM-TEMPERATURE, NANOWIRES, GROWTH, FILMS
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

Structural properties of zinc oxide nanorods have been investigated by performing classical molecular dynamics simulations. Atomistic potential energy function has been used to represent the interactions among the atoms. Strain has been applied to the generated ZnO nanostructures along their length, which has been realized at two different temperatures, 1 K and 300 K. It has been found that ZnO nanostructures following strain application undergo a structural change depending on temperature and geometry.