Interaction of 〈1 0 0〉 loops with Carbon atoms and 〈1 0 0〉 dislocations in BCC Fe: An atomistic study

We apply atomistic simulations using the so called ‘metallic-covalent bonding’ interatomic model for the Fe–C system to study mobility of 〈1 0 0〉 interstitial dislocation loops, known to form in Fe and Fe-based ferritic alloys under irradiation, and their interaction with Carbon atoms. Carbon atoms represent an effective trap for the 〈1 0 0〉 loops with a binding energy of the order of 1 eV. The mobility of the loops is studied using the dislocation – loop drag model. From this model the activation parameters are identified and discussed.