Original title: Ab initio study of {101-2} twinning transition in magnesium
Authors: Káňa, Tomáš ; Ostapovets, Andriy
Document type: Papers
Conference/Event: METAL 2016 - Anniversary International Conference on Metallurgy and Materials /25./, Brno (CZ), 20160525
Year: 2016
Language: eng
Abstract: Twinning is an important deformation mode in materials with the hexagonal close-packed (hcp) structures. The shear deformation combined with shuffling of atomic planes can lead to a transition between the Mg hcp structure and a twinned hcp structure. Studying such a transition by means of ab initio methods should bring more insight into the twinning mechanism in magnesium where the {1012} planes are the twinning planes. Comparison of ab initio results with those obtained using the semi-empirical embedded atom method is provided. It can help improve the fitted parameters of the embedded atom method.
Keywords: Ab initio; Magnesium; Shear deformation
Project no.: GA16-14599S (CEP)
Funding provider: GA ČR
Host item entry: METAL 2016: 25th International Conference on Metallurgy and Materials, ISBN 978-80-87294-67-3

Institution: Institute of Physics of Materials AS ČR (web)
Document availability information: Fulltext is available at the institute of the Academy of Sciences.
Original record: http://hdl.handle.net/11104/0269977

Permalink: http://www.nusl.cz/ntk/nusl-263550


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Research > Institutes ASCR > Institute of Physics of Materials
Conference materials > Papers