Elastodiffusion calculation of asymptotic absorption efficiencies and bias factors of dislocations in Al, Ni and Fe

The elastic interactions between dislocations and lattice point defects (PDs) control the rate of PD elimination at dislocations, and thereby the PD spatial distribution within the microstructure. By relying on the Onsager formalism, we introduce a new partition of the PD diffusion driving force in a strain field. We present DFT-based calculations of straight and loop-form edge dislocation absorption efficiences and the resulting biases of vacancy and self-interstitial elimination in pure Fe, Ni, and Al metals. We highlight the effects of the dislocation density, the temperature and the dislocation orientation on the elastodiffusion behavior and the resulting PD redistribution near dislocations. Based on a detailed study of the sensitivity of absorption efficiencies to the boundary conditions, i.e., the capture radius and the associated PD concentrations, we introduce the notion of asymptotic absorption efficiencies and bias.