\textbf{Formation of graphene flakes from oxidation of SiC nanoparticle}

POSTER

Abstract

We have performed the largest (112 million atoms) reactive molecular dynamics simulation using reactive force fields to study the oxidation of a SiC nanoparticle on the full Blue Gene/P machine. The SiC nanoparticle of diameter 100 nm is surrounded by O$_{\mathrm{2}}$ gas and heated to 2,800 K. Subsequently, we let the SiC nanoparticle oxidize at 2,800K. We observe formation of graphene-like flakes despite the harsh oxidation condition. We find the fractal dimension of the flakes is 1.85. We will discuss the implication of reaction kinetics on the structure and distribution of graphene flakes.

Authors

  • Pankaj Rajak

    Univ of Southern California

  • Ken-ichi Nomura

    Univ of Southern California, University of Southern California

  • Rajiv Kalia

    Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California

  • Aiichiro Nakano

    Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California

  • Priya Vashisthta

    Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California