Matches in SemOpenAlex for { <https://semopenalex.org/work/W3108978015> ?p ?o ?g. }
- W3108978015 abstract "The remarkable mechanical properties of high-entropy alloys can be further improved by interstitial alloying. In this work we employ density functional theory calculations to study the solution energies of dilute carbon interstitial atoms in tetrahedral and octahedral sites in bcc HfNbTiVZr. Our results indicate that carbon interstitials in tetrahedral sites are unstable, and the preferred octahedral sites present a large spread in the energy of solution. The inclusion of carbon interstitials induces large structural relaxations with long-range effects. The effect of local chemical environment on the energy of solution is investigated by performing a local cluster expansion including studies of its correlation with the carbon atomic Voronoi volume. However, the spread in solution energetics cannot be explained with a local environment analysis only pointing towards a complex, long-range influence of interstitial carbon in this alloy." @default.
- W3108978015 created "2020-12-07" @default.
- W3108978015 creator A5006116136 @default.
- W3108978015 creator A5027263885 @default.
- W3108978015 creator A5030047468 @default.
- W3108978015 creator A5041806527 @default.
- W3108978015 creator A5048348115 @default.
- W3108978015 creator A5070165552 @default.
- W3108978015 creator A5072294019 @default.
- W3108978015 creator A5086189948 @default.
- W3108978015 creator A5090669667 @default.
- W3108978015 date "2020-12-02" @default.
- W3108978015 modified "2023-10-18" @default.
- W3108978015 title "Interstitial carbon in bcc HfNbTiVZr high-entropy alloy from first principles" @default.
- W3108978015 cites W1483060564 @default.
- W3108978015 cites W1970127494 @default.
- W3108978015 cites W1980370048 @default.
- W3108978015 cites W1981368803 @default.
- W3108978015 cites W1994552835 @default.
- W3108978015 cites W1996107967 @default.
- W3108978015 cites W2007395042 @default.
- W3108978015 cites W2011122611 @default.
- W3108978015 cites W2046505730 @default.
- W3108978015 cites W2049639367 @default.
- W3108978015 cites W2052481584 @default.
- W3108978015 cites W2083222334 @default.
- W3108978015 cites W2089107579 @default.
- W3108978015 cites W2090001482 @default.
- W3108978015 cites W2092204065 @default.
- W3108978015 cites W2109892083 @default.
- W3108978015 cites W2324178228 @default.
- W3108978015 cites W2404626904 @default.
- W3108978015 cites W2512448911 @default.
- W3108978015 cites W2524096284 @default.
- W3108978015 cites W2548945022 @default.
- W3108978015 cites W2549203060 @default.
- W3108978015 cites W2571156969 @default.
- W3108978015 cites W2575238797 @default.
- W3108978015 cites W2743380556 @default.
- W3108978015 cites W2784034406 @default.
- W3108978015 cites W2786849367 @default.
- W3108978015 cites W2789655054 @default.
- W3108978015 cites W2790999687 @default.
- W3108978015 cites W2799809235 @default.
- W3108978015 cites W2888910822 @default.
- W3108978015 cites W2898966069 @default.
- W3108978015 cites W2905011582 @default.
- W3108978015 cites W2907919550 @default.
- W3108978015 cites W2912838989 @default.
- W3108978015 cites W2939300043 @default.
- W3108978015 cites W2941181264 @default.
- W3108978015 cites W2951225702 @default.
- W3108978015 cites W2963575838 @default.
- W3108978015 cites W2984321952 @default.
- W3108978015 cites W2988305523 @default.
- W3108978015 cites W3081426418 @default.
- W3108978015 cites W623808825 @default.
- W3108978015 doi "https://doi.org/10.1103/physrevmaterials.4.123601" @default.
- W3108978015 hasPublicationYear "2020" @default.
- W3108978015 type Work @default.
- W3108978015 sameAs 3108978015 @default.
- W3108978015 citedByCount "4" @default.
- W3108978015 countsByYear W31089780152021 @default.
- W3108978015 countsByYear W31089780152022 @default.
- W3108978015 crossrefType "journal-article" @default.
- W3108978015 hasAuthorship W3108978015A5006116136 @default.
- W3108978015 hasAuthorship W3108978015A5027263885 @default.
- W3108978015 hasAuthorship W3108978015A5030047468 @default.
- W3108978015 hasAuthorship W3108978015A5041806527 @default.
- W3108978015 hasAuthorship W3108978015A5048348115 @default.
- W3108978015 hasAuthorship W3108978015A5070165552 @default.
- W3108978015 hasAuthorship W3108978015A5072294019 @default.
- W3108978015 hasAuthorship W3108978015A5086189948 @default.
- W3108978015 hasAuthorship W3108978015A5090669667 @default.
- W3108978015 hasBestOaLocation W31089780151 @default.
- W3108978015 hasConcept C104779481 @default.
- W3108978015 hasConcept C105239961 @default.
- W3108978015 hasConcept C115624301 @default.
- W3108978015 hasConcept C121332964 @default.
- W3108978015 hasConcept C124589349 @default.
- W3108978015 hasConcept C140205800 @default.
- W3108978015 hasConcept C147597530 @default.
- W3108978015 hasConcept C152365726 @default.
- W3108978015 hasConcept C159467904 @default.
- W3108978015 hasConcept C159985019 @default.
- W3108978015 hasConcept C164866538 @default.
- W3108978015 hasConcept C185592680 @default.
- W3108978015 hasConcept C191897082 @default.
- W3108978015 hasConcept C192562407 @default.
- W3108978015 hasConcept C198819137 @default.
- W3108978015 hasConcept C199360897 @default.
- W3108978015 hasConcept C2778999785 @default.
- W3108978015 hasConcept C2780026712 @default.
- W3108978015 hasConcept C41008148 @default.
- W3108978015 hasConcept C49040817 @default.
- W3108978015 hasConcept C57863236 @default.
- W3108978015 hasConcept C60546165 @default.
- W3108978015 hasConcept C8010536 @default.
- W3108978015 hasConcept C97355855 @default.
- W3108978015 hasConceptScore W3108978015C104779481 @default.