2011
Vliv segregovaných nemagnetických sp-nečistot na vlastnosti hranic zrn a povrchů v niklu
VŠIANSKÁ, Monika a Mojmír ŠOBZákladní údaje
Originální název
Vliv segregovaných nemagnetických sp-nečistot na vlastnosti hranic zrn a povrchů v niklu
Název anglicky
Effect of segregated nonmagnetic sp-impurities on the properties of grain boundaries and surfaces in nickel
Autoři
Vydání
Brno, Sborník doktorské konference: Víceúrovňový design pokrokových materiálů, od s. 9-18, 10 s. 2011
Nakladatel
Ústav fyziky materiálů AVČR
Další údaje
Jazyk
čeština
Typ výsledku
Stať ve sborníku
Obor
10302 Condensed matter physics
Stát vydavatele
Česká republika
Utajení
není předmětem státního či obchodního tajemství
Forma vydání
tištěná verze "print"
Označené pro přenos do RIV
Ano
Kód RIV
RIV/00216224:14740/11:00050227
Organizační jednotka
Středoevropský technologický institut
ISBN
978-80-87434-04-8
Klíčová slova anglicky
grain boundary segregation nickel
Štítky
Změněno: 5. 2. 2013 16:06, prof. RNDr. Mojmír Šob, DrSc.
V originále
We present an ab initio study of segregation of 12 nonmagnetic sp impurities (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in fcc ferromagnetic nickel and analyze their effect on structure, magnetic and mechanical properties. We determine the preferred segregation sites of the impurity atoms, their segregation enthalpies and strengthening/embrittling energies with their decomposition into the chemical and mechanical components. We find that the value of mechanical component is dependent on the type of the stable segregation position and is nearly constant in each period. On the other hand the chemical component changes strongly within each period and is determined by the electronegativity of impurity atoms. Magnetically dead layers found at the impurity segregated GB and FS are caused by a strong hybridization of sp states of the impurities with the d states of nickel.
Anglicky
We present an ab initio study of segregation of 12 nonmagnetic sp impurities (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in fcc ferromagnetic nickel and analyze their effect on structure, magnetic and mechanical properties. We determine the preferred segregation sites of the impurity atoms, their segregation enthalpies and strengthening/embrittling energies with their decomposition into the chemical and mechanical components. We find that the value of mechanical component is dependent on the type of the stable segregation position and is nearly constant in each period. On the other hand the chemical component changes strongly within each period and is determined by the electronegativity of impurity atoms. Magnetically dead layers found at the impurity segregated GB and FS are caused by a strong hybridization of sp states of the impurities with the d states of nickel.
Návaznosti
| ED1.1.00/02.0068, projekt VaV |
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| GA202/09/1786, projekt VaV |
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| GD106/09/H035, projekt VaV |
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| MSM0021622410, záměr |
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| MUNI/A/0980/2009, interní kód MU |
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