Quantum band structure theory and empirical pseudopotential are used to calculate the elastic strain force of (Pb) n /(Bi) n , (Al) n /(As) n ideal cubic twinning superlattice model.

Focusing on the problem that the inter-atomic long-range nonbond interaction of carbon nanotubes cannot be represented by the empirical bond order potentials, a novel potential energy expression was presented, combining the reactive empirical bond order potential with Lennard-Jones potential.