<abstract xmlns="http://www.w3.org/1999/xhtml"><p>A detailed numerical study on structure of symmetric tilt grain boundaries in <italic>α</italic>-iron is presented. The study is focused on structural and energetic optimization of 〈100〉 grain boundaries Σ5(210), Σ5(310), Σ17(410) and Σ13(510). Particular attention is given to grain boundary reconstruction, which is characterized by increased atomic density in grain boundary plane compared to bulk. The results of our numerical experiments significantly improved our knowledge about the migration of atoms between planes perpendicular as well as parallel to GB plane as an essential part of grain boundary reconstruction.</p></abstract>

A detailed numerical study on structure of symmetric tilt grain boundaries in α-iron is presented. The study is focused on structural and energetic optimization of 〈100〉 grain boundaries Σ5(210), Σ5(310), Σ17(410) and Σ13(510). Particular attention is given to grain boundary reconstruction, which is characterized by increased atomic density in grain boundary plane compared to bulk. The results of our numerical experiments significantly improved our knowledge about the migration of atoms between planes perpendicular as well as parallel to GB plane as an essential part of grain boundary reconstruction.

Reconstruction of <italic>α</italic>–Iron 〈100〉 Symmetric Tilt Grain Boundaries Σ17(410) and Σ13(510)

Slovak University of Technology in Bratislava, Ilkovičova 3, 812 19 Bratislava 1,

Journal of Electrical Engineering

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Reconstruction of –Iron 〈100〉 Symmetric Tilt Grain Boundaries Σ17(410) and Σ13(510)

A detailed numerical study on structure of symmetric tilt grain boundaries in α-iron is presented. The study is focused on structural and energetic...

Reconstruction of α–Iron 〈100〉 Symmetric Tilt Grain Boundaries Σ17(410) and Σ13(510)

Published Online: Dec 30, 2016

Page range: 427 - 432

Received: Aug 03, 2016

DOI: https://doi.org/10.1515/jee-2016-0062

Keywords
iron, grain boundary, relaxation, reconstruction, structural optimization, atomic migration

© 2016 Faculty of Electrical Engineering and Information Technology, Slovak University of Technology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Reconstruction of α–Iron 〈100〉 Symmetric Tilt Grain Boundaries Σ17(410) and Σ13(510)

Published Online: Dec 30, 2016

Page range: 427 - 432

Received: Aug 03, 2016

DOI: https://doi.org/10.1515/jee-2016-0062

Keywordsiron, grain boundary, relaxation, reconstruction, structural optimization, atomic migration

© 2016 Faculty of Electrical Engineering and Information Technology, Slovak University of Technology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Keywords
iron, grain boundary, relaxation, reconstruction, structural optimization, atomic migration