Matches in SemOpenAlex for { <https://semopenalex.org/work/W2092242625> ?p ?o ?g. }
- W2092242625 endingPage "435004" @default.
- W2092242625 startingPage "435004" @default.
- W2092242625 abstract "The direct consequence of irradiation on a material is the creation of point defects—typically interstitials and vacancies, and their aggregates—but it is the ultimate fate of these defects that determines the material's radiation tolerance. Thus, understanding how defects migrate and interact with sinks, such as grain boundaries, is crucial for predicting the evolution of the material. We examine defect properties in two polymorphs of TiO2—rutile and anatase—to determine how these materials might respond differently to irradiation. Using molecular statics and temperature accelerated dynamics, we focus on two issues: how point defects interact with a representative grain boundary and how they migrate in the bulk phase. We find that grain boundaries in both polymorphs are strong sinks for all point defects, though somewhat stronger in rutile than anatase. Further, the defect kinetics are very different in the two polymorphs, with interstitial species diffusing quickly in rutile while oxygen defects—both interstitials and vacancies—are fast diffusers in anatase. These results allow us to speculate on how grain boundaries will modify the radiation tolerance of these materials. In particular, grain boundaries in rutile will lead to a space charge layer at the boundary and a vacancy-rich damage structure, while in anatase the damage structure would likely be more stoichiometric, but with larger defects consisting primarily of Ti ions." @default.
- W2092242625 created "2016-06-24" @default.
- W2092242625 creator A5010358439 @default.
- W2092242625 creator A5041535407 @default.
- W2092242625 date "2011-09-29" @default.
- W2092242625 modified "2023-10-16" @default.
- W2092242625 title "Defects in rutile and anatase polymorphs of TiO<sub>2</sub>: kinetics and thermodynamics near grain boundaries" @default.
- W2092242625 cites W1640819085 @default.
- W2092242625 cites W1963607224 @default.
- W2092242625 cites W1967329160 @default.
- W2092242625 cites W1971148334 @default.
- W2092242625 cites W1973200584 @default.
- W2092242625 cites W1976569529 @default.
- W2092242625 cites W1977040687 @default.
- W2092242625 cites W1979571307 @default.
- W2092242625 cites W1980881833 @default.
- W2092242625 cites W1986834250 @default.
- W2092242625 cites W1989049696 @default.
- W2092242625 cites W1989880479 @default.
- W2092242625 cites W1998361395 @default.
- W2092242625 cites W2001262977 @default.
- W2092242625 cites W2001861467 @default.
- W2092242625 cites W2004022193 @default.
- W2092242625 cites W2014814635 @default.
- W2092242625 cites W2017313773 @default.
- W2092242625 cites W2018766340 @default.
- W2092242625 cites W2021554830 @default.
- W2092242625 cites W2022860994 @default.
- W2092242625 cites W2025539890 @default.
- W2092242625 cites W2038958116 @default.
- W2092242625 cites W2039391347 @default.
- W2092242625 cites W2040480509 @default.
- W2092242625 cites W2042926775 @default.
- W2092242625 cites W2044175319 @default.
- W2092242625 cites W2048709806 @default.
- W2092242625 cites W2055632110 @default.
- W2092242625 cites W2065740527 @default.
- W2092242625 cites W2074054222 @default.
- W2092242625 cites W2076195626 @default.
- W2092242625 cites W2080639858 @default.
- W2092242625 cites W2085954406 @default.
- W2092242625 cites W2086385914 @default.
- W2092242625 cites W2086673864 @default.
- W2092242625 cites W2090516161 @default.
- W2092242625 cites W2090553834 @default.
- W2092242625 cites W2126818221 @default.
- W2092242625 cites W2131399845 @default.
- W2092242625 cites W2134858354 @default.
- W2092242625 cites W2168393376 @default.
- W2092242625 cites W2170006871 @default.
- W2092242625 cites W2325263255 @default.
- W2092242625 cites W2331652584 @default.
- W2092242625 cites W4241468772 @default.
- W2092242625 doi "https://doi.org/10.1088/0953-8984/23/43/435004" @default.
- W2092242625 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21960062" @default.
- W2092242625 hasPublicationYear "2011" @default.
- W2092242625 type Work @default.
- W2092242625 sameAs 2092242625 @default.
- W2092242625 citedByCount "37" @default.
- W2092242625 countsByYear W20922426252012 @default.
- W2092242625 countsByYear W20922426252013 @default.
- W2092242625 countsByYear W20922426252014 @default.
- W2092242625 countsByYear W20922426252015 @default.
- W2092242625 countsByYear W20922426252016 @default.
- W2092242625 countsByYear W20922426252017 @default.
- W2092242625 countsByYear W20922426252018 @default.
- W2092242625 countsByYear W20922426252019 @default.
- W2092242625 countsByYear W20922426252020 @default.
- W2092242625 countsByYear W20922426252021 @default.
- W2092242625 countsByYear W20922426252022 @default.
- W2092242625 countsByYear W20922426252023 @default.
- W2092242625 crossrefType "journal-article" @default.
- W2092242625 hasAuthorship W2092242625A5010358439 @default.
- W2092242625 hasAuthorship W2092242625A5041535407 @default.
- W2092242625 hasConcept C111337013 @default.
- W2092242625 hasConcept C114221277 @default.
- W2092242625 hasConcept C121332964 @default.
- W2092242625 hasConcept C127413603 @default.
- W2092242625 hasConcept C147597530 @default.
- W2092242625 hasConcept C159467904 @default.
- W2092242625 hasConcept C161790260 @default.
- W2092242625 hasConcept C164675345 @default.
- W2092242625 hasConcept C185544564 @default.
- W2092242625 hasConcept C185592680 @default.
- W2092242625 hasConcept C191897082 @default.
- W2092242625 hasConcept C192562407 @default.
- W2092242625 hasConcept C2777402863 @default.
- W2092242625 hasConcept C2777889555 @default.
- W2092242625 hasConcept C42360764 @default.
- W2092242625 hasConcept C47908070 @default.
- W2092242625 hasConcept C55493867 @default.
- W2092242625 hasConcept C59593255 @default.
- W2092242625 hasConcept C65165184 @default.
- W2092242625 hasConcept C8010536 @default.
- W2092242625 hasConcept C87976508 @default.
- W2092242625 hasConceptScore W2092242625C111337013 @default.
- W2092242625 hasConceptScore W2092242625C114221277 @default.
- W2092242625 hasConceptScore W2092242625C121332964 @default.