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@article{935855,
author = {Všianská, Monika and Šob, Mojmír},
article_number = {6},
doi = {http://dx.doi.org/10.1016/j.pmatsci.2011.01.008},
keywords = {grain boundaries; segregation; nickel; embrittlement},
language = {eng},
issn = {0079-6425},
journal = {Progress in Materials Science},
title = {The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel},
url = {http://dx.doi.org/10.1016/j.pmatsci.2011.01.008},
volume = {56},
year = {2011}
}
TY - JOUR
ID - 935855
AU - Všianská, Monika - Šob, Mojmír
PY - 2011
TI - The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel
JF - Progress in Materials Science
VL - 56
IS - 6
SP - 817-840
EP - 817-840
PB - Elsevier
SN - 00796425
KW - grain boundaries
KW - segregation
KW - nickel
KW - embrittlement
UR - http://dx.doi.org/10.1016/j.pmatsci.2011.01.008
L2 - http://dx.doi.org/10.1016/j.pmatsci.2011.01.008
N2 - We present a theoretical study of segregation of sp-elements (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 Ni. Whereas there is a slight enhancement of magnetization at the clean GB and FS with respect to bulk nickel (3–7% and 24%, respectively), the studied impurities entirely kill or strongly reduce ferromagnetism at the GB/FS and in its vicinity so that magnetically dead layers are formed. This effect is due to the hybridization of the impurity sp-states and Ni d-states. We determine the preferred segregation sites at the Sigma5(210) GB for the sp-impurities, their segregation enthalpies and strengthening/embrittling energies with their chemical and mechanical components. We find interstitially segregated Si and P and substitutionally segregated Al as a GB cohesion enhancer and interstitially segregated S, Ge, As, Se and substitutionally segregated Ga, In, Sn, Sb and Te as GB embrittlers in Ni.
ER -
VŠIANSKÁ, Monika a Mojmír ŠOB. The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel. \textit{Progress in Materials Science}. Elsevier, 2011, roč.~56, č.~6, s.~817-840. ISSN~0079-6425. Dostupné z: https://dx.doi.org/10.1016/j.pmatsci.2011.01.008.
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