Generalized stacking fault energetics and dislocation properties: compact vs. spread unit dislocation structures in TiAl and CuAu
arXiv:cond-mat/9809148 · doi:10.1103/PhysRevB.58.11927
Abstract
We present a general scheme for analyzing the structure and mobility of dislocations based on solutions of the Peierls-Nabarro model with a two component displacement field and restoring forces determined from the ab-initio generalized stacking fault energetics (ie., the so-called -surface). The approach is used to investigate dislocations in L1 TiAl and CuAu; predicted differences in the unit dislocation properties are explicitly related with features of the -surface geometry. A unified description of compact, spread and split dislocation cores is provided with an important characteristic "dissociation path" revealed by this highly tractable scheme.
7 two columns pages, 2 eps figures. Phys. Rev. B. accepted November 1998
Cited by in corpus (5)
- Interatomic potentials for atomistic simulations of the Ti-Al system
- Edge dislocation core structures in FCC metals determined from ab initio calculations combined with the improved Peierls-Nabarro equation
- Dislocation structure and mobility in the layered semiconductor InSe: A first-principles study
- On the gradient of the Green tensor in two-dimensional elastodynamic problems, and related integrals: Distributional approach and regularization, with application to nonuniformly moving sources
- An iterative scheme for the generalized Peierls-Nabarro model based on the inverse Hilbert transform