Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022690136> ?p ?o ?g. }
- W2022690136 endingPage "093713" @default.
- W2022690136 startingPage "093713" @default.
- W2022690136 abstract "Using ab initio density function theory total energy calculations, we have investigated the mechanism of Fe segregation into Si ∑5⟨310⟩ grain boundary (GB). We find that the segregation is site selective at the GB—Fe will only segregate to specific sites. We further find that the choice of the segregation site is determined by the segregation-induced stress and effective crystal-field-induce splitting of Fe d orbital at that site. Our results suggest that the revealed mechanism of Fe segregation into the GB should be general for other 3d transition metals with partially filled 3d orbits and for other grain boundaries." @default.
- W2022690136 created "2016-06-24" @default.
- W2022690136 creator A5017904348 @default.
- W2022690136 creator A5027396367 @default.
- W2022690136 creator A5029369409 @default.
- W2022690136 creator A5057936004 @default.
- W2022690136 creator A5066704146 @default.
- W2022690136 creator A5073871833 @default.
- W2022690136 creator A5087417806 @default.
- W2022690136 creator A5088860714 @default.
- W2022690136 date "2010-05-01" @default.
- W2022690136 modified "2023-09-27" @default.
- W2022690136 title "First-principles study of iron segregation into silicon ∑5 grain boundary" @default.
- W2022690136 cites W1009341677 @default.
- W2022690136 cites W1979426666 @default.
- W2022690136 cites W1999273472 @default.
- W2022690136 cites W2000047807 @default.
- W2022690136 cites W2002108702 @default.
- W2022690136 cites W2007698674 @default.
- W2022690136 cites W2027871221 @default.
- W2022690136 cites W2033938526 @default.
- W2022690136 cites W2036507644 @default.
- W2022690136 cites W2037228604 @default.
- W2022690136 cites W2047685960 @default.
- W2022690136 cites W2053529674 @default.
- W2022690136 cites W2053784170 @default.
- W2022690136 cites W2062793761 @default.
- W2022690136 cites W2078325282 @default.
- W2022690136 cites W2079105963 @default.
- W2022690136 cites W2085225088 @default.
- W2022690136 cites W2087585288 @default.
- W2022690136 cites W2087698390 @default.
- W2022690136 cites W2095116736 @default.
- W2022690136 cites W2121544700 @default.
- W2022690136 cites W2295243237 @default.
- W2022690136 cites W3206606417 @default.
- W2022690136 doi "https://doi.org/10.1063/1.3369390" @default.
- W2022690136 hasPublicationYear "2010" @default.
- W2022690136 type Work @default.
- W2022690136 sameAs 2022690136 @default.
- W2022690136 citedByCount "10" @default.
- W2022690136 countsByYear W20226901362013 @default.
- W2022690136 countsByYear W20226901362015 @default.
- W2022690136 countsByYear W20226901362017 @default.
- W2022690136 countsByYear W20226901362018 @default.
- W2022690136 countsByYear W20226901362021 @default.
- W2022690136 countsByYear W20226901362022 @default.
- W2022690136 countsByYear W20226901362023 @default.
- W2022690136 crossrefType "journal-article" @default.
- W2022690136 hasAuthorship W2022690136A5017904348 @default.
- W2022690136 hasAuthorship W2022690136A5027396367 @default.
- W2022690136 hasAuthorship W2022690136A5029369409 @default.
- W2022690136 hasAuthorship W2022690136A5057936004 @default.
- W2022690136 hasAuthorship W2022690136A5066704146 @default.
- W2022690136 hasAuthorship W2022690136A5073871833 @default.
- W2022690136 hasAuthorship W2022690136A5087417806 @default.
- W2022690136 hasAuthorship W2022690136A5088860714 @default.
- W2022690136 hasConcept C121332964 @default.
- W2022690136 hasConcept C134306372 @default.
- W2022690136 hasConcept C147597530 @default.
- W2022690136 hasConcept C152365726 @default.
- W2022690136 hasConcept C159467904 @default.
- W2022690136 hasConcept C178790620 @default.
- W2022690136 hasConcept C183971685 @default.
- W2022690136 hasConcept C185592680 @default.
- W2022690136 hasConcept C191897082 @default.
- W2022690136 hasConcept C192562407 @default.
- W2022690136 hasConcept C202444582 @default.
- W2022690136 hasConcept C26873012 @default.
- W2022690136 hasConcept C2781442258 @default.
- W2022690136 hasConcept C32909587 @default.
- W2022690136 hasConcept C33923547 @default.
- W2022690136 hasConcept C47908070 @default.
- W2022690136 hasConcept C544956773 @default.
- W2022690136 hasConcept C62354387 @default.
- W2022690136 hasConcept C8010536 @default.
- W2022690136 hasConcept C87976508 @default.
- W2022690136 hasConcept C9652623 @default.
- W2022690136 hasConceptScore W2022690136C121332964 @default.
- W2022690136 hasConceptScore W2022690136C134306372 @default.
- W2022690136 hasConceptScore W2022690136C147597530 @default.
- W2022690136 hasConceptScore W2022690136C152365726 @default.
- W2022690136 hasConceptScore W2022690136C159467904 @default.
- W2022690136 hasConceptScore W2022690136C178790620 @default.
- W2022690136 hasConceptScore W2022690136C183971685 @default.
- W2022690136 hasConceptScore W2022690136C185592680 @default.
- W2022690136 hasConceptScore W2022690136C191897082 @default.
- W2022690136 hasConceptScore W2022690136C192562407 @default.
- W2022690136 hasConceptScore W2022690136C202444582 @default.
- W2022690136 hasConceptScore W2022690136C26873012 @default.
- W2022690136 hasConceptScore W2022690136C2781442258 @default.
- W2022690136 hasConceptScore W2022690136C32909587 @default.
- W2022690136 hasConceptScore W2022690136C33923547 @default.
- W2022690136 hasConceptScore W2022690136C47908070 @default.
- W2022690136 hasConceptScore W2022690136C544956773 @default.
- W2022690136 hasConceptScore W2022690136C62354387 @default.
- W2022690136 hasConceptScore W2022690136C8010536 @default.
- W2022690136 hasConceptScore W2022690136C87976508 @default.