A Multi-scale Approach to Nano-Composite Nickel-Based Materials

The behavior of nano-composite materials that are formed by incorporating aligned carbon nanotubes (CNTs) into a bulk nickel matrix have been considered. Mechanical properties of these novel materials have been predicted and strain-stress relationships have been investigated by atomistic calculations with interactions derived from the modified embedded-atom method (MEAM). The mechanical stability has been assessed, with consideration of Young's modulus both within and beyond the small elastic deformation regime. Comparisons have been made between Ni/CNTs, the pure FCC nickel matrix, and pristine CNTs. Both single-walled and multi-walled nanotube systems have been considered.