Other formats:
BibTeX
LaTeX
RIS
@inproceedings{902088,
author = {Všianská, Monika and Šob, Mojmír},
address = {Brno},
booktitle = {Sborník příspěvků X. Pracovního setkání fyzikálních chemiků a elektrochemiků},
keywords = {segregation grain boundaries nickel},
howpublished = {tištěná verze "print"},
language = {eng},
location = {Brno},
isbn = {978-80-7375-309-2},
pages = {262-266},
publisher = {Mendelova zemědělská a lesnická univerzita},
title = {Ab initio study of effect of segregated sp-impurities at grain boundaries in nickel},
year = {2010}
}
TY - JOUR
ID - 902088
AU - Všianská, Monika - Šob, Mojmír
PY - 2010
TI - Ab initio study of effect of segregated sp-impurities at grain boundaries in nickel
PB - Mendelova zemědělská a lesnická univerzita
CY - Brno
SN - 9788073753092
KW - segregation grain boundaries nickel
N2 - The embrittling/strengthening effects of segregated sp elements in 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 have been investigated using density functional theory. We predict Si as a GB cohesion enhancer, Al and P have none or minimal strengthening effect and S, Ga, As, Se, In, Sn, Sb and Te are GB embrittlers in Ni. We also analyze the segregation enthalpy of all impurities. It turns out that Al, Ga, In, Sn, Sb and Te are substitutional and Si, P, S, Ge, As and Se interstitial impurities at the GB in Ni.
ER -
VŠIANSKÁ, Monika and Mojmír ŠOB. Ab initio study of effect of segregated sp-impurities at grain boundaries in nickel. In \textit{Sborník příspěvků X. Pracovního setkání fyzikálních chemiků a elektrochemiků}. Brno: Mendelova zemědělská a lesnická univerzita, 2010, p.~262-266. ISBN~978-80-7375-309-2.
|
