Theoretical study of elastic properties of SiC nanowires of different shapes

Pavel B. Sorokin, Dmitry G. Kvashnin, Alexander G. Kvashnin, Pavel V. Avramov, Leonid A. Chernozatonskii

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular mechanics. Upon surface relaxation, surface reconstruction led to the splitting of the wire geometry, forming both hexagonal (surface) and cubic phases (bulk). The behavior of the pristine SiC wires under compression and stretching was studied and Young's moduli were obtained. For Y-shaped SiC nanowires the effective Young's moduli and behavior in inelastic regime were elucidated.

Original languageEnglish
Pages (from-to)4992-4997
Number of pages6
JournalJournal of Nanoscience and Nanotechnology
Volume10
Issue number8
DOIs
Publication statusPublished - Aug 2010
Externally publishedYes

Keywords

  • DFT
  • Elastic properties
  • Molecular mechanics
  • Nanowires
  • Silicon carbide

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