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 İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 12 Konu: 9
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1166/jctn.2015.4004
  • Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Sayfa Sayıları: ss.2180-2188

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.