Hydrogen diffusion in the elastic fields of dislocations in iron


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Аннотация

The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 1014 m–2 in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉{110}, 〈111〉{112}, 〈100〉{100}, and 〈100〉{110} are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change of the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.

Авторлар туралы

A. Sivak

National Research Centre Kurchatov Institute; National Research Tomsk State University

Хат алмасуға жауапты Автор.
Email: Sivak_AB@nrcki.ru
Ресей, Moscow; Tomsk

P. Sivak

National Research Centre Kurchatov Institute

Email: Sivak_AB@nrcki.ru
Ресей, Moscow

V. Romanov

National Research Tomsk State University; Lejpunskij Institute of Physics and Power Engineering

Email: Sivak_AB@nrcki.ru
Ресей, Tomsk; Obninsk

V. Chernov

National Research Tomsk State University; JSC Academician Bochvar High-Technology Research Institute of Inorganic Materials; National Research Nuclear University MEPhI

Email: Sivak_AB@nrcki.ru
Ресей, Tomsk; Moscow; Moscow

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