Abstract:
The energy of grain boundary shears is calculated for symmetric grain boundaries (GBs) using ab initio methods and molecular-dynamic modeling in order to elucidate mechanisms that control GB shear-migration coupling in typical symmetric GBs, such as ΣΣ3 (111), ΣΣ5 (012), ΣΣ5 (013) and ΣΣ11 (113) tilt GBs, in Al bicrystal. The energy of generalized grain-boundary stacking faults (GB–SF) is determined, and the preferred directions and the energy barrier are established for grain-boundary slippage. It is shown that the relative slippage of neighboring grains at certain directions of particle shears is accompanied by conservative migration of GB in the direction perpendicular to its plain. The modeling data are comparative to known grain-boundary shear-migration coupling mechanisms in Al.
Citation:
L. E. Kar'kina, I. N. Kar'kin, A. R. Kuznetsov, Yu. N. Gornostyrev, “Grain-boundary shear-migration coupling in Al bicrystals. Atomistic modeling”, Fizika Tverdogo Tela, 60:10 (2018), 1874–1881; Phys. Solid State, 60:10 (2018), 1916–1923
\Bibitem{KarKarKuz18}
\by L.~E.~Kar'kina, I.~N.~Kar'kin, A.~R.~Kuznetsov, Yu.~N.~Gornostyrev
\paper Grain-boundary shear-migration coupling in Al bicrystals. Atomistic modeling
\jour Fizika Tverdogo Tela
\yr 2018
\vol 60
\issue 10
\pages 1874--1881
\mathnet{http://mi.mathnet.ru/ftt9032}
\crossref{https://doi.org/10.21883/FTT.2018.10.46511.099}
\elib{https://elibrary.ru/item.asp?id=36903714}
\transl
\jour Phys. Solid State
\yr 2018
\vol 60
\issue 10
\pages 1916--1923
\crossref{https://doi.org/10.1134/S1063783418100104}
Linking options:
https://www.mathnet.ru/eng/ftt9032
https://www.mathnet.ru/eng/ftt/v60/i10/p1874
This publication is cited in the following 5 articles:
N. V. Chertova, Yu. V. Grinyaev, “Comparative Analysis of Wave and Strain Behavior at the Interface of Elastic Bodies under Perfect Contact and Slip Boundary Conditions”, Phys Mesomech, 25:4 (2022), 353
Andrey Kuznetsov, Lidia Karkina, Yuri Gornostyrev, Pavel Korzhavyi, “Effects of Zn and Mg Segregations on the Grain Boundary Sliding and Cohesion in Al: Ab Initio Modeling”, Metals, 11:4 (2021), 631
L. E. Kar'kina, I. N. Kar'kin, Yu. N. Gornostyrev, “Grain Boundary Sliding along Special Asymmetric Grain Boundaries in the Al Bicrystals: Atomistic Molecular Dynamics Simulation”, Phys. Metals Metallogr., 122:11 (2021), 1103
L. E. Kar'kina, I. N. Kar'kin, Yu. N. Gornostyrev, “Effect of Alloying Element Segregations on the Grain Boundary Sliding in Al–Mg and Al–Ni Alloy Bicrystals: Atomistic Modeling”, Phys. Metals Metallogr., 121:9 (2020), 817