Vliv segregace nemagnetických nečistot na strukturu a vlastnosti hranic zrn v niklu

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Title in English The effect of segregated nonmagnetic impurities on the structure and properties of grain boundaries in nickel
Authors

VŠIANSKÁ Monika ŠOB Mojmír

Year of publication 2010
Type Article in Proceedings
Conference Sborník doktorské konference: Víceúrovňový design pokrokových materiálů
MU Faculty or unit

Faculty of Science

Citation
Field Physical chemistry and theoretical chemistry
Keywords grain boundary segregation nickel
Description We have studied segregation and embrittling energy of sp elements of the 3rd, 4th and 5th period (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te) at the Sigma5(210) grain boundary (GB) in fcc nickel and the segregation of these impurities at the (210) free surface (FS). Full relaxation of the geometric configuration of the GB and FS without and with impurities has been performed and the effect of impurities on the distribution of magnetic moments has been analysed. We determined the embrittling energy from the difference between the GB and FS binding energies on the basis of the Rice Wang model. and we separated embrittling energy into the chemical and mechanical part.
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