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Dislocation Core Structure and Peierls Stress of B2-Based AlSc in {110} Plane

Research paper by S. R. Li, X. Z. Wu; T. Zhang; Y. X. Tian; Z. X. Yan; H. Z. Zhu

Indexed on: 05 Sep '16Published on: 01 Oct '16Published in: Journal of Electronic Materials



Abstract

The core structure and Peierls stress of 〈100〉, 〈110〉, and 〈111〉 dislocations in {110} plane of B2-based AlSc (B2-AlSc) have been investigated using improved dislocation equations combined with the generalized stacking fault (GSF) energy. The truncated approximation method is utilized to construct the dissociated and undissociated dislocations in AlSc, then the effects of dislocation angles on the elastic strain energy and misfit energy are presented. Specifically, with increasing dislocation angle, the misfit energy, elastic strain energy, and total energy, and their corresponding stresses, decrease on the 〈100〉{110} and 〈110〉{110} slip systems. However, for 〈111〉{110} dislocation, all energies and corresponding stresses exhibit the relationship 0° > 54.7° > 35.3° > 90°. The misfit energy is always smaller than the elastic strain energy, even by one or two orders of magnitude, and their phases are always opposite. The core structure and Peierls stress of 〈100〉, 〈110〉, and 〈111〉 dislocations in {110} plane of B2-based AlSc (B2-AlSc) have been investigated using improved dislocation equations combined with the generalized stacking fault (GSF) energy. The truncated approximation method is utilized to construct the dissociated and undissociated dislocations in AlSc, then the effects of dislocation angles on the elastic strain energy and misfit energy are presented. Specifically, with increasing dislocation angle, the misfit energy, elastic strain energy, and total energy, and their corresponding stresses, decrease on the 〈100〉{110} and 〈110〉{110} slip systems. However, for 〈111〉{110} dislocation, all energies and corresponding stresses exhibit the relationship 0° > 54.7° > 35.3° > 90°. The misfit energy is always smaller than the elastic strain energy, even by one or two orders of magnitude, and their phases are always opposite.