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Strength of Materials

, Volume 40, Issue 1, pp 2–6 | Cite as

Ab initio DFT study of ideal shear strength of polytypes of silicon carbide

  • Y. UmenoEmail author
  • Y. Kinoshita
  • T. Kitamura
Scientific and Technical Section

Abstract

Ab initio density functional calculations are performed to investigate the ideal shear deformation of SiC polytypes (3C, 2H, 4H, and 6H). The deformation of the cubic and the hexagonal polytypes in small strain region can be well represented by the elastic properties of component Si4C-tetrahedrons. The stacking pattern in the polytypes affects strain localization, which is correlated with the generalized stacking fault energy profile of each shuffle-set plane, and the ideal shear strength. Compressive hydrostatic stress decreases the ideal shear strength, which is in contrast with the behavior of metals.

Keywords

ideal strength shear deformation ab initio simulation silicon carbide 

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Copyright information

© Springer Science+Business Media, Inc. 2008

Authors and Affiliations

  1. 1.Institute of Industrial ScienceThe University of TokyoTokyoJapan
  2. 2.Graduate School of EngineeringKyoto UniversityKyotoJapan

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