Abstract
A comprehensive atomic-level simulation study has been made of interactions between a moving edge dislocation and copper precipitates that are initially coherent with the body-centred-cubic matrix of alpha-iron. Precipitates with diameter, D, in the range 0.7–6 nm have been considered over the temperature range 0–600 K. For some combinations of temperature and D, the critical applied resolved shear stress, τ c, at which the dislocation overcomes a row of precipitates with centre-to-centre spacing, L, is consistent with an elasticity treatment for strong obstacles, e.g. τ c is proportional to L −1 and ln(D). This has a specific atomic-level origin, for the proportionality holds when the dislocation induces a partial transformation of the copper towards the more stable face-centred-cubic phase. The driving force for the transformation increases with decreasing temperature and increasing D, and so τ c has a strong temperature-dependence for large D. The results of these simulations, which employ a set of interatomic potentials of Finnis–Sinclair type, are seen to correspond well with experiments carried out elsewhere.
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