Core structure and Peierls stress of the 90° dislocation and the 60° dislocation in aluminum investigated by the fully discrete Peierls model

The core structure, Peierls stress and core energy, etc. are comprehensively investigated for the 90^\circ dislocation and the 60^\circ dislocation in metal aluminum using the fully discrete Peierls model, and in particular thermal effects are included for temperature range 0\leq T \leq 900 K. For the 90^\circ dislocation, the core clearly dissociates into two partial dislocations with the separating distance D\sim 12 Å, and the Peierls stress is very small \sigma_\rm p<1 kPa. The nearly vanishing Peierls stress results from the large characteristic width and a small step length of the 90^\circ dislocation. The 60^\circ dislocation dissociates into 30^\circ and 90^\circ partial dislocations with the separating distance D\sim 11 Å. The Peierls stress of the 60^\circ dislocation grows up from 1 MPa to 2 MPa as the temperature increases from 0 K to 900 K. Temperature influence on the core structures is weak for both the 90^\circ dislocation and the 60^\circ dislocation. The core structures theoretically predicted at T=0 K are also confirmed by the first principle simulations.