Modeling the Thermally Activated Mobility of Dislocations at the Atomic Scale
We review in this chapter how to model the mobility of isolated dislocations at the atomic scale when glide requires to overcome energy barriers and is thermally activated, as is typically the case in body-centered cubic metals. We first recall the boundary and loading conditions used to model an isolated dislocation. We then detail a static approach based on the Transition State Theory parameterized on atomistic calculations to predict dislocation mobility. Finally, we address the low-temperature regime and explain how to include quantum corrections to the dislocation mobility law.
DR acknowledges support from LABEX iMUST (ANR-10-LABX-0064) of Université de Lyon (program “Investissements d’Avenir”, ANR-11-IDEX-0007).
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