FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1973467461> ?p ?o ?g. }

• W1973467461 endingPage "9091" @default.
• W1973467461 startingPage "9084" @default.
• W1973467461 abstract "We investigate defects and diffusion in solid ${mathrm{Li}}_{3}$N, a superionic conductor, using the projector-augmented-wave implementation of Car-Parrinello molecular dynamics. Static calculations are used to discuss the structure and formation of Li vacancies, where we also consider hydrogen interstitials. The barrier for lithium jumps to vacant adjacent sites in the ${mathrm{Li}}_{2}$N plane ($ensuremath{perp}c$) was found to be extremely small, namely, 0.004 eV, whereas jumps perpendicular to the ${mathrm{Li}}_{2}$N plane ($ensuremath{parallel}c$) have a barrier of 0.58 eV. Therefore diffusion in the plane ($ensuremath{perp}c$) is limited by the formation of vacancies, whereas the barrier dominates perpendicular ($ensuremath{parallel}c$) to the plane. A molecular-dynamics run at 800 K confirms the anisotropy of diffusion and leads to diffusion coefficients consistent with experiment. From the trajectories we deduce a microscopic diffusion mechanism and find that mainly isolated jumps take place." @default.
• W1973467461 created "2016-06-24" @default.
• W1973467461 creator A5030965628 @default.
• W1973467461 creator A5038840462 @default.
• W1973467461 creator A5086381202 @default.
• W1973467461 date "1996-04-01" @default.
• W1973467461 modified "2023-09-25" @default.
• W1973467461 title "<i>Ab initio</i>molecular-dynamics study of diffusion and defects in solid<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Li</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>N" @default.
• W1973467461 cites W1966806067 @default.
• W1973467461 cites W1970127494 @default.
• W1973467461 cites W1973081770 @default.
• W1973467461 cites W1979729968 @default.
• W1973467461 cites W1982664426 @default.
• W1973467461 cites W1983516807 @default.
• W1973467461 cites W1984997945 @default.
• W1973467461 cites W1991794210 @default.
• W1973467461 cites W1996708674 @default.
• W1973467461 cites W2005241888 @default.
• W1973467461 cites W2009049081 @default.
• W1973467461 cites W2015975102 @default.
• W1973467461 cites W2021487744 @default.
• W1973467461 cites W2026907619 @default.
• W1973467461 cites W2027530487 @default.
• W1973467461 cites W2033138398 @default.
• W1973467461 cites W2033646112 @default.
• W1973467461 cites W2037027420 @default.
• W1973467461 cites W2041638382 @default.
• W1973467461 cites W2046001409 @default.
• W1973467461 cites W2052637367 @default.
• W1973467461 cites W2059481908 @default.
• W1973467461 cites W2062884507 @default.
• W1973467461 cites W2069026416 @default.
• W1973467461 cites W2077732652 @default.
• W1973467461 cites W2082953133 @default.
• W1973467461 cites W2103598571 @default.
• W1973467461 cites W2132082204 @default.
• W1973467461 cites W2164065633 @default.
• W1973467461 cites W2319811999 @default.
• W1973467461 cites W2323996368 @default.
• W1973467461 cites W2332912104 @default.
• W1973467461 cites W4256345750 @default.
• W1973467461 doi "https://doi.org/10.1103/physrevb.53.9084" @default.
• W1973467461 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9982409" @default.
• W1973467461 hasPublicationYear "1996" @default.
• W1973467461 type Work @default.
• W1973467461 sameAs 1973467461 @default.
• W1973467461 citedByCount "55" @default.
• W1973467461 countsByYear W19734674612014 @default.
• W1973467461 countsByYear W19734674612015 @default.
• W1973467461 countsByYear W19734674612016 @default.
• W1973467461 countsByYear W19734674612018 @default.
• W1973467461 countsByYear W19734674612019 @default.
• W1973467461 countsByYear W19734674612020 @default.
• W1973467461 countsByYear W19734674612021 @default.
• W1973467461 countsByYear W19734674612022 @default.
• W1973467461 countsByYear W19734674612023 @default.
• W1973467461 crossrefType "journal-article" @default.
• W1973467461 hasAuthorship W1973467461A5030965628 @default.
• W1973467461 hasAuthorship W1973467461A5038840462 @default.
• W1973467461 hasAuthorship W1973467461A5086381202 @default.
• W1973467461 hasConcept C121332964 @default.
• W1973467461 hasConcept C134018914 @default.
• W1973467461 hasConcept C17825722 @default.
• W1973467461 hasConcept C185592680 @default.
• W1973467461 hasConcept C192562407 @default.
• W1973467461 hasConcept C2524010 @default.
• W1973467461 hasConcept C26873012 @default.
• W1973467461 hasConcept C2778541603 @default.
• W1973467461 hasConcept C33923547 @default.
• W1973467461 hasConcept C59593255 @default.
• W1973467461 hasConcept C62520636 @default.
• W1973467461 hasConcept C69357855 @default.
• W1973467461 hasConcept C71924100 @default.
• W1973467461 hasConcept C8010536 @default.
• W1973467461 hasConcept C97355855 @default.
• W1973467461 hasConceptScore W1973467461C121332964 @default.
• W1973467461 hasConceptScore W1973467461C134018914 @default.
• W1973467461 hasConceptScore W1973467461C17825722 @default.
• W1973467461 hasConceptScore W1973467461C185592680 @default.
• W1973467461 hasConceptScore W1973467461C192562407 @default.
• W1973467461 hasConceptScore W1973467461C2524010 @default.
• W1973467461 hasConceptScore W1973467461C26873012 @default.
• W1973467461 hasConceptScore W1973467461C2778541603 @default.
• W1973467461 hasConceptScore W1973467461C33923547 @default.
• W1973467461 hasConceptScore W1973467461C59593255 @default.
• W1973467461 hasConceptScore W1973467461C62520636 @default.
• W1973467461 hasConceptScore W1973467461C69357855 @default.
• W1973467461 hasConceptScore W1973467461C71924100 @default.
• W1973467461 hasConceptScore W1973467461C8010536 @default.
• W1973467461 hasConceptScore W1973467461C97355855 @default.
• W1973467461 hasIssue "14" @default.
• W1973467461 hasLocation W19734674611 @default.
• W1973467461 hasLocation W19734674612 @default.
• W1973467461 hasOpenAccess W1973467461 @default.
• W1973467461 hasPrimaryLocation W19734674611 @default.
• W1973467461 hasRelatedWork W1977051874 @default.
• W1973467461 hasRelatedWork W1998490195 @default.
• W1973467461 hasRelatedWork W2039460482 @default.

• next