Unveiling the Mechanisms of High-Temperature 1/2[111] Screw Dislocation Glide in Iron–Carbon Alloys

We have developed a self-consistent model for predicting the velocity of 1/2[111] screw dislocation in binary iron–carbon alloys gliding by high-temperature Peierls mechanism. The methodology modelling includes: (i) Kinetic Monte-Carlo (kMC) simulation carbon segregation core and determination total occupancy binding sites; (ii) Determination kink-pair formation enthalpy iron—carbon alloy; (iii) KMC drag maximal at which atmosphere atoms can follow moving dislocation; (iv) Self consistent calculation average mechanism under constant strain rate. conduct quantitative analysis conditions stress temperature glide alloy is accomplished estimate breaks away from cloud thermally-activated smooth propagation interrupted sporadic bursts activity.