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Studium magnetismu hranic zrn z prvních principů
 Čák, Miroslav ; Šob, Mojmír ; Hafner, J.
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.
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