First-principles prediction of yield stress for basal slip in Mg–Al alloys

The finite-temperature yield stress of Mg–Al alloys undergoing basal slip is investigated using a recently developed parameter-free solute strengthening model. The model takes input from first-principles calculations of the dislocation/solute interaction energy and evaluates the solute strengthening due to fluctuations in solute concentration, taking into account the correlation of these fluctuations as a function of dislocation roughening. Due...