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Title: Grain-Boundary Shear-Migration Coupling in Al Bicrystals. Atomistic Modeling

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 Σ3 (111), Σ5 (012), Σ5 (013) and Σ11 (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.

Authors:
; ;  [1]
  1. Russian Academy of Sciences, Mikheev Institute of Physics of Metals, Ural Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22771002
Resource Type:
Journal Article
Journal Name:
Physics of the Solid State
Additional Journal Information:
Journal Volume: 60; Journal Issue: 10; Other Information: Copyright (c) 2018 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7834
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM; BICRYSTALS; COUPLING; DIFFUSION BARRIERS; GRAIN BOUNDARIES; MIGRATION; MOLECULAR DYNAMICS METHOD; SIMULATION; STACKING FAULTS; SYMMETRY

Citation Formats

Kar’kina, L. E., E-mail: Lidiya.karkina@imp.uran.ru, Kar’kin, I. N., Kuznetsov, A. R., and Gornostyrev, Yu. N. Grain-Boundary Shear-Migration Coupling in Al Bicrystals. Atomistic Modeling. United States: N. p., 2018. Web. doi:10.1134/S1063783418100104.
Kar’kina, L. E., E-mail: Lidiya.karkina@imp.uran.ru, Kar’kin, I. N., Kuznetsov, A. R., & Gornostyrev, Yu. N. Grain-Boundary Shear-Migration Coupling in Al Bicrystals. Atomistic Modeling. United States. https://doi.org/10.1134/S1063783418100104
Kar’kina, L. E., E-mail: Lidiya.karkina@imp.uran.ru, Kar’kin, I. N., Kuznetsov, A. R., and Gornostyrev, Yu. N. Mon . "Grain-Boundary Shear-Migration Coupling in Al Bicrystals. Atomistic Modeling". United States. https://doi.org/10.1134/S1063783418100104.
@article{osti_22771002,
title = {Grain-Boundary Shear-Migration Coupling in Al Bicrystals. Atomistic Modeling},
author = {Kar’kina, L. E., E-mail: Lidiya.karkina@imp.uran.ru and Kar’kin, I. N. and Kuznetsov, A. R. and Gornostyrev, Yu. N.},
abstractNote = {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 Σ3 (111), Σ5 (012), Σ5 (013) and Σ11 (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.},
doi = {10.1134/S1063783418100104},
url = {https://www.osti.gov/biblio/22771002}, journal = {Physics of the Solid State},
issn = {1063-7834},
number = 10,
volume = 60,
place = {United States},
year = {2018},
month = {10}
}