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°dislocation and the 60°dislocation in metal aluminum using the fully discrete Peierls model,and in particular thermal effects are included for temperature range 0≤T≤900 K.For the 90°dislocation,the core clearly dissociates into two partial dislocations with the separating distance D~12?,and the Peierls stress is very smallσp<1 k Pa.The nearly vanishing Peierls stress results from the large characteristic width and a small step length of the 90°dislocation.The 60°dislocation dissociates into 30°and 90°partial dislocations with the separating distance D~11A.The Peierls stress of the 60°dislocation grows up from1 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°dislocation and the 60°dislocation.The core structures theoretically predicted at T=0 K are also confirmed by the first principle simulations.