Solid solution softening and hardening in binary BCC alloys

Rao, Satish I.; Woodward, C.; Akdim, Brahim

doi:10.1016/j.actamat.2022.118440

Cited by 15 publications

(2 citation statements)

References 50 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For Fe-H system, a Finnis-Sinclair (F-S) type EAM potential, newly developed by Wen et al [18], is applied to describe the interatomic behaviors. The Fe-Fe interaction of this potential is taken from the work of Ramasubramaniam et al [10,11], which predicts the compact core structure of the screw dislocation in bcc iron based on density function theory (DFT) calculations.…”

Section: Interatomic Potentialmentioning

confidence: 99%

“…When the interactions occur between H atoms and multiple dislocations and cost a lot of time (e.g., H diffusion to dislocations), atomistic simulations are not so applicable. Alternatively, elasticity theory is also extensively used to study solute-dislocation interaction [17,18]. Cottrell et al [19,20] gave the detailed theory of the distribution of solute atoms which interact weakly with a slowly gliding dislocation.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Atomistic Study of the Interaction Nature of H-Dislocation and the Validity of Elasticity in Bcc Iron

Zheng

Zhang

2023

Metals

View full text Add to dashboard Cite

One way to assess the validity of elasticity is with the method of atomic simulations. Molecular statics (MS) simulations are performed to study the interactions between H and edge dislocations in bcc iron using embedded-atom-method potential for a Fe-H system. The nature of H-dislocation interactions can be investigated and the validity of elasticity can be examined. We show that the sites with strong binding energy are found at the dislocation core, as well as in the slip plane, suggesting high H concentrations can form along the slip plane. It is found that the interstitial H not only interacts with hydrostatic stress, but also with the shear stresses generated by the dislocation, especially on the slip plane. When the dislocation stresses are represented using anisotropic elasticity, the validity of elasticity is at H-dislocation distance larger than ~19 Å, i.e., the same as the isotropic predictions. When H lies closer to the dislocation, good agreement with simulations is obtained if considering all strains induced by H at the octahedral sites and using anisotropic elasticity.

show abstract

Section: Interatomic Potentialmentioning

confidence: 99%