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

Simsek Y., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.12, no.9, pp.2180-2188, 2015 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 12 Issue: 9
  • Publication Date: 2015
  • Doi Number: 10.1166/jctn.2015.4004
  • Journal Name: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.2180-2188
  • Keywords: Molecular Dynamic, Boron Carbide, Stillinger-Weber, Uniaxial Strain
  • Middle East Technical University Affiliated: Yes

Abstract

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.