Equilibrium concentrations of self-interstitial atoms and divacancies were estimated by means of molecular dynamics computer simulations, using embedded atom potentials. It was found that, near to the melting point, these concentrations were both of the order of 10-6, but interstitial atoms contributed more to diffusion; due to their higher mobility. In the case of perfect, or pulse-heated crystals, spontaneous Frenkel-pair production resulted in the production of even higher interstitial concentrations.

Role of Self-Interstitial Atoms in the High-Temperature Properties of Metals K.Nordlund, R.S.Averback: Physical Review Letters, 1998, 80[19], 4201-4