Ideal Strength of Hexagonal Diamond and Related B-C-N Compounds

ORAL

Abstract

We have performed first principles calculations on the ideal strength of h-diamond, w-BN, and $\Phi$- BC$_2$N. We have considered structural deformation under pure tensile, pure shear or biaxial stress fields. The calculated results reveal new atomistic fracture mechanism for these materials.

*This work was supported by the Department of Energy Cooperative Agreement DE-FC52-06NA26274 at UNLV and the NNSF of China grants 10574089 and 50532020, Chinese National Minister of Education Program for Innovative Research Team in University at SJTU.

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Authors

  • Changfeng Chen

    • University of Nevada, Las Vegas
    • Department of Physics \& High Pressure Center, University of Nevada, Las Vegas
    • Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154

  • Yi Zhang

    • University of Nevada, Las Vegas

  • Zicheng Pan

    • Shanghai Jiao Tong University, China

  • Hong Sun

    • Shanghai Jiao Tong University, China