FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3197756874> ?p ?o ?g. }

• W3197756874 endingPage "413370" @default.
• W3197756874 startingPage "413370" @default.
• W3197756874 abstract "Nitrogen and carbon play an important role in the oxidation of Ti-Al intermetallic alloys in air. The insertion and diffusion of these elements in the γ-TiAl phase are investigated by first-principle computations. The accommodation of C and N atoms in several likely interstitial positions has been evaluated using density functional theory (DFT) calculations. The results show that both carbon and nitrogen prefer Ti-rich environments. Then, considering the possible jumps among the stable and metastable interstitial sites, the diffusion coefficients have also been obtained from ab initio calculations. According to the Transitional State Theory, in order to compute atomic jump rates, diffusion energy barriers and vibrational modes need to be known. Herein, barrier energies are obtained using the Climbing Image Nudged Elastic Band method. Vibrational properties are computed using the finite displacement method. Finally, diffusion coefficients are obtained solving the transport equation in the infinite time limit, using an analytical approach. The obtained results are compared to the diffusion of oxygen in γ-TiAl, investigated in previous studies. An anisotropic diffusion is obtained for all the interstitial species." @default.
• W3197756874 created "2021-09-13" @default.
• W3197756874 creator A5057021899 @default.
• W3197756874 creator A5060931766 @default.
• W3197756874 creator A5068023670 @default.
• W3197756874 date "2022-01-01" @default.
• W3197756874 modified "2023-10-11" @default.
• W3197756874 title "Insertion and diffusion of N and C in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=d1e1022 altimg=si61.svg><mml:mi>γ</mml:mi></mml:math>–TiAl: Theoretical study and comparison with O" @default.
• W3197756874 cites W102603088 @default.
• W3197756874 cites W1963859004 @default.
• W3197756874 cites W1979544533 @default.
• W3197756874 cites W1989629335 @default.
• W3197756874 cites W1999121172 @default.
• W3197756874 cites W2010257105 @default.
• W3197756874 cites W2035107470 @default.
• W3197756874 cites W2039031811 @default.
• W3197756874 cites W2039761294 @default.
• W3197756874 cites W2044453661 @default.
• W3197756874 cites W2050422257 @default.
• W3197756874 cites W2054704030 @default.
• W3197756874 cites W2057980421 @default.
• W3197756874 cites W2063381458 @default.
• W3197756874 cites W2063463702 @default.
• W3197756874 cites W2069000371 @default.
• W3197756874 cites W2075086021 @default.
• W3197756874 cites W2078596175 @default.
• W3197756874 cites W2078662893 @default.
• W3197756874 cites W2079105963 @default.
• W3197756874 cites W2079662257 @default.
• W3197756874 cites W2080750847 @default.
• W3197756874 cites W2083222334 @default.
• W3197756874 cites W2093037899 @default.
• W3197756874 cites W2098034205 @default.
• W3197756874 cites W2277997128 @default.
• W3197756874 cites W2892294053 @default.
• W3197756874 cites W2895825015 @default.
• W3197756874 cites W2913932979 @default.
• W3197756874 cites W2937929452 @default.
• W3197756874 cites W293935839 @default.
• W3197756874 cites W2995315893 @default.
• W3197756874 cites W3000237630 @default.
• W3197756874 cites W3081937414 @default.
• W3197756874 cites W3084596934 @default.
• W3197756874 cites W3094472182 @default.
• W3197756874 cites W55341585 @default.
• W3197756874 cites W832976576 @default.
• W3197756874 doi "https://doi.org/10.1016/j.physb.2021.413370" @default.
• W3197756874 hasPublicationYear "2022" @default.
• W3197756874 type Work @default.
• W3197756874 sameAs 3197756874 @default.
• W3197756874 citedByCount "2" @default.
• W3197756874 countsByYear W31977568742022 @default.
• W3197756874 countsByYear W31977568742023 @default.
• W3197756874 crossrefType "journal-article" @default.
• W3197756874 hasAuthorship W3197756874A5057021899 @default.
• W3197756874 hasAuthorship W3197756874A5060931766 @default.
• W3197756874 hasAuthorship W3197756874A5068023670 @default.
• W3197756874 hasBestOaLocation W31977568741 @default.
• W3197756874 hasConcept C121332964 @default.
• W3197756874 hasConcept C147597530 @default.
• W3197756874 hasConcept C152365726 @default.
• W3197756874 hasConcept C185592680 @default.
• W3197756874 hasConcept C192562407 @default.
• W3197756874 hasConcept C2781442258 @default.
• W3197756874 hasConcept C62520636 @default.
• W3197756874 hasConcept C69357855 @default.
• W3197756874 hasConcept C89464430 @default.
• W3197756874 hasConcept C97355855 @default.
• W3197756874 hasConceptScore W3197756874C121332964 @default.
• W3197756874 hasConceptScore W3197756874C147597530 @default.
• W3197756874 hasConceptScore W3197756874C152365726 @default.
• W3197756874 hasConceptScore W3197756874C185592680 @default.
• W3197756874 hasConceptScore W3197756874C192562407 @default.
• W3197756874 hasConceptScore W3197756874C2781442258 @default.
• W3197756874 hasConceptScore W3197756874C62520636 @default.
• W3197756874 hasConceptScore W3197756874C69357855 @default.
• W3197756874 hasConceptScore W3197756874C89464430 @default.
• W3197756874 hasConceptScore W3197756874C97355855 @default.
• W3197756874 hasLocation W31977568741 @default.
• W3197756874 hasLocation W31977568742 @default.
• W3197756874 hasLocation W31977568743 @default.
• W3197756874 hasLocation W31977568744 @default.
• W3197756874 hasLocation W31977568745 @default.
• W3197756874 hasOpenAccess W3197756874 @default.
• W3197756874 hasPrimaryLocation W31977568741 @default.
• W3197756874 hasRelatedWork W1964384985 @default.
• W3197756874 hasRelatedWork W1970435430 @default.
• W3197756874 hasRelatedWork W1985888471 @default.
• W3197756874 hasRelatedWork W1987305017 @default.
• W3197756874 hasRelatedWork W1990209859 @default.
• W3197756874 hasRelatedWork W1994111383 @default.
• W3197756874 hasRelatedWork W2044324006 @default.
• W3197756874 hasRelatedWork W2058434227 @default.
• W3197756874 hasRelatedWork W2125116397 @default.
• W3197756874 hasRelatedWork W2587744446 @default.
• W3197756874 hasVolume "624" @default.
• W3197756874 isParatext "false" @default.
• W3197756874 isRetracted "false" @default.

• next