Journal ArticleDOI
Computer simulation studies of the a/2 〈111〉 edge dislocation in α‐iron
J.O. Schiffgens,K.E. Garrison +1 more
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In this paper, core characteristics of the stable a/2 ǫ-111 − edge dislocation in α-iron are presented for three two-body interatomic potentials, and the importance of properly defining boundary conditions is demonstrated.Abstract:
Core characteristics of the stable a/2 〈111〉 edge dislocation in α‐iron are presented for three two‐body interatomic potentials, and the importance of properly defining boundary conditions is demonstrated. The boundary requirements adopted for this analysis are as follows: (i) The coordinate of the dislocation line along the axis parallel to the burgers vector is such that, above and below the slip plane, the lattice to the right and left of the extra half‐planes of atoms forming the dislocation is symmetric. (ii) The coordinate of the dislocation line in the direction perpendicular to the slip plane is such that the slope of the strain energy curve in the linear region of the lattice agrees with the slope in the continuum. (iii) The positions of atoms at the lattice‐continuum interface are made to agree with the predictions of linear elasticity theory. Four interatomic potentials are examined, one of which is shown to be unsatisfactory. Results with the other three potentials are quite reasonable. Core radii of 4.6, 4.8, and 5.4 A and corresponding core energies of 0.479, 0.539, and 0.701 eV per (112) plane are calculated. The stable core configuration in each case is consistent with the particular character of the interatomic potential. The results suggest that the core characteristics are not sensitive to the value of the cohesive energy associated with each potential.read more
Citations
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Journal ArticleDOI
An atomic-level model for studying the dynamics of edge dislocations in metals
Yu.N. Osetsky,David Bacon +1 more
TL;DR: In this paper, a model for simulating the dynamic behavior of edge dislocations in metals at the atomic level is presented, which allows the external action (either shear strain or resolved shear stress), crystal energy, plastic displacement and dislocation position and velocity to be determined unambiguously.
Journal ArticleDOI
Dislocation loop structure, energy and mobility of self-interstitial atom clusters in bcc iron
TL;DR: In this paper, the authors used the embedded-atom method (EAM) to model the energy and mobility of self-interstitial atom (SIA) clusters in bcc α-iron.
Journal ArticleDOI
Dislocation relaxation processes in body-centred cubic metals
A. Seeger,C. Wüthrich +1 more
TL;DR: In this paper, the experimental results on dislocation relaxation processes in b.c. metals are compared with the theoretical findings reviewed in the earlier parts and it is shown that the so-called γ-relaxation process should be attributed to the formation of kink pairs on screw dislocations.
Book ChapterDOI
Chapter 88 Dislocation–Obstacle Interactions at the Atomic Level
TL;DR: In this article, a review of the state-of-the-art techniques used for computer simulation of dislocation-resistant materials is presented. But the results are restricted to the case of dislocations.
References
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Journal ArticleDOI
Dynamics of Radiation Damage
TL;DR: In this article, the authors studied the effect of low and moderate energies (up to 400 ev) on a model representing copper and found that the resulting damaged configurations are composed of interstitials and vacancies and that the interstitial is found to reside in a split configuration, sharing a lattice site with another atom.
Journal Article
Interstitials and vacancies in α iron
TL;DR: In this paper, a two-body central force was devised which matched the elastic moduli, was sharply repulsive at close separation, and went to zero midway between the second and third neighboring atoms.
Journal ArticleDOI
Interstitials and Vacancies in α Iron
TL;DR: In this paper, a two-body central force was devised which matched the elastic moduli, was sharply repulsive at close separation, and went to zero midway between the second and third neighboring atoms.
Journal ArticleDOI
The core structure of ½(111) screw dislocations in b.c.c. crystals
TL;DR: A relaxation-type calculation of the structure of the dislocation core has been made for the ½ 〈111〉 screw dislocation in b.c. crystals, using a variety of central-force potentials as discussed by the authors.