| Abstract Scope |
Graphite is considered to be the best refractory due to its high melting point, chemical inertness, thermal and electrical conductivity, resistance to thermal shock, and lubricity. The mechanical behavior of graphite remains intriguing due to its anisotropic bonding. This talk focuses on the mechanical response of graphite via deformation simulations using molecular dynamics. First, the interatomic potentials to simulate the graphite structure will be gleaned, this is carefully evaluated using the DRIP-REBO potentials. Next, uniaxial compression simulations to investigate the nucleation of ripplocations and motion of ripplocation boundaries (RBs) are shown. Finally, the physical nature of the deformation by bending, or double indentation, will be discussed. Our findings are corroborated by TEM evidence. The resulting atomistic response is novel, in that, tensile and compressive strains nest at the RBs. This talk offers valuable insights into the mechanical properties of graphite, crucial for various applications. |