Structural Properties of Monolayer Boron Carbide Nanoribbons Under Strain: Molecular Dynamics Simulations

Simsek Y., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, cilt.12, sa.9, ss.2180-2188, 2015 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 12 Sayı: 9
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1166/jctn.2015.4004
  • Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2180-2188
  • Anahtar Kelimeler: Molecular Dynamic, Boron Carbide, Stillinger-Weber, Uniaxial Strain
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

Structural properties of boron carbide nanoribbons with different widths have been investigated by performing classical molecular dynamics simulations at various temperatures. Strain effect along the ribbon direction has been analyzed at two different strain rates. It was found that thin boron carbide nanoribbons showed more elongation than the thick models. The structural twisting and rotation increased at high temperatures and decreased at broad models. Furthermore, fast strain caused longer elongations and broad models compensated more strains at high temperatures with respect to the thin models.