✍ Scribed by H.A. Khater; D.J. Bacon
No coin nor oath required. For personal study only.
Properties of basal and first order prism plane dislocations with Burgers vector 1/3 h1 1 2 0i in a-Zr have been investigated by computer simulation. Results for a recent interatomic potential (MA07) are assessed and compared with an older one (AWB95). The elastic constants have been calculated with the inner relaxations allowed for and the energy and vector of metastable stacking faults have been determined and compared with published ab initio estimates. The core of the screw dislocation spreads principally in the prism plane in the MA07 model, in contrast to basal plane dissociation in the AWB95 model, and the prism-to-basal ratio of the Peierls stress for the screw is 0.28 with the MA07 model, compared with 3.31 with the AWB95 model. Simulation of the dynamics of dislocation motion under applied stress reveal how the drag coefficient varies with slip system and temperature. The results for the MA07 model are consistent with the known slip geometry of Zr, suggesting that it offers significant advantages for large-scale atomic simulation of dislocation behaviour.
📜 SIMILAR VOLUMES
In this paper, we present a generalized Peierls-Nabarro model for curved dislocations. In the generalized Peierls-Nabarro model, the anisotropic elastic energy is obtained efficiently by solving the elasticity system associated with the disregistry across the slip plane using the fast Fourier transf