Vliv segregace nemagnetických nečistot na strukturu a vlastnosti hranic zrn v niklu
| Title in English | The effect of segregated nonmagnetic impurities on the structure and properties of grain boundaries in nickel |
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| Authors | |
| Year of publication | 2010 |
| Type | Article in Proceedings |
| Conference | Sborník doktorské konference: Víceúrovňový design pokrokových materiálů |
| MU Faculty or unit | |
| 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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