Original title:
Grain boundary magnetism - an ab initio study
Translated title:
Studium magnetismu hranic zrn z prvních principů
Authors:
Čák, Miroslav ; Šob, Mojmír ; Hafner, J. Document type: Papers Conference/Event: Pracovní setkání fyzikálních chemiků a elektrochemiků /7./, Brno (CZ), 2007-01-29 / 2007-01-30
Year:
2007
Language:
eng Abstract:
[eng][cze] Grain boundaries (GBs) represent an important class of two-dimensional extended defects in materials. Segregation of impurity atoms is responsible for a degradation of mechanical properties. Recently, it was found that application of magnetic annealing leads to decreasing concentration of impurities at GBs in Fe-0.8%Sn alloy and improves its ductility To understand the mechanism of this process it is necessary to study magnetism of clean GBs as well as of GBs with segregants at the microscopic (ab initio) level. In the present work, we investigate the Sigma5(310) GB in iron.Je studována segregace nečistot na hranicích zrn v železe na základě výpočtů elektronové struktury z prvních principů.
Keywords:
ab initio calculations; grain boundaries; magnetism Project no.: CEZ:AV0Z20410507 (CEP), IAA1041302 (CEP), OC 147, GD106/05/H008 (CEP) Funding provider: GA AV ČR, GA MŠk, GA ČR Host item entry: VII. pracovní setkání fyzikálních chemiků a elektrochemiků, ISBN 978-80-210-4235-3
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/11104/0160149