Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308346470> ?p ?o ?g. }
- W4308346470 endingPage "111308" @default.
- W4308346470 startingPage "111308" @default.
- W4308346470 abstract "High-entropy perovskite oxides are novel high-entropy ceramics developing recently. In this work, the local lattice distortion, mechanical and thermodynamic properties of perovskites A(Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3 (A = Sr, Ba) are explored using the first principle investigation. The equilibrium lattice parameter and bulk moduli of high-entropy perovskites obtained by fitting approximately satisfy the rule of mixture of the components, while the entropy effect of component mixing is very small. The bond length distribution reveals the B-site disorder results in large local lattice distortion. The atomic displacement indicates larger average displacement of O atoms contributes mainly to the wider bond length distribution for most B-O bond. The distortion degree at B-site is naturally associated with A-site. The obtained elastic constants of high-entropy perovskites are also closed to the rule of mixing of the components. Compared with ternary SrTiO3 and BaTiO3 perovskites, B-site mixing for high-entropy perovskites enhances their toughness at expense of strength and stiffness, showing the elastic moduli can be modified and adjusted through multi-component design strategy. Relevant thermodynamic property reveals the B-site disorder is benefit to improve the resistance to softening and suppress volume expansion at high temperature. Electronic structures show the insulator–metal transition takes place, also uncover that the interaction of B-O bond is stronger." @default.
- W4308346470 created "2022-11-11" @default.
- W4308346470 creator A5032016801 @default.
- W4308346470 creator A5048110184 @default.
- W4308346470 creator A5059269261 @default.
- W4308346470 creator A5066707165 @default.
- W4308346470 creator A5072476044 @default.
- W4308346470 date "2022-12-01" @default.
- W4308346470 modified "2023-10-17" @default.
- W4308346470 title "The lattice distortion, mechanical and thermodynamic properties of A(Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3 (A = Sr, Ba) high-entropy perovskite with B-site disorder: First principles prediction" @default.
- W4308346470 cites W1167040955 @default.
- W4308346470 cites W1492725093 @default.
- W4308346470 cites W1971979294 @default.
- W4308346470 cites W1980370048 @default.
- W4308346470 cites W1981368803 @default.
- W4308346470 cites W1981936682 @default.
- W4308346470 cites W1984003326 @default.
- W4308346470 cites W1985939985 @default.
- W4308346470 cites W1999951856 @default.
- W4308346470 cites W2008868660 @default.
- W4308346470 cites W2013857943 @default.
- W4308346470 cites W2031799884 @default.
- W4308346470 cites W2041926223 @default.
- W4308346470 cites W2058085399 @default.
- W4308346470 cites W2059423619 @default.
- W4308346470 cites W2081992810 @default.
- W4308346470 cites W2083222334 @default.
- W4308346470 cites W2095167006 @default.
- W4308346470 cites W2111349554 @default.
- W4308346470 cites W2127432912 @default.
- W4308346470 cites W2169892476 @default.
- W4308346470 cites W2261135145 @default.
- W4308346470 cites W2281898181 @default.
- W4308346470 cites W2330748124 @default.
- W4308346470 cites W2464417194 @default.
- W4308346470 cites W2522338520 @default.
- W4308346470 cites W2556940462 @default.
- W4308346470 cites W2587252238 @default.
- W4308346470 cites W2607910693 @default.
- W4308346470 cites W2610707292 @default.
- W4308346470 cites W2736819277 @default.
- W4308346470 cites W2748538323 @default.
- W4308346470 cites W2749587047 @default.
- W4308346470 cites W2750648119 @default.
- W4308346470 cites W2752517559 @default.
- W4308346470 cites W2763930266 @default.
- W4308346470 cites W2778356484 @default.
- W4308346470 cites W2794294544 @default.
- W4308346470 cites W2800245626 @default.
- W4308346470 cites W2806778755 @default.
- W4308346470 cites W2808680332 @default.
- W4308346470 cites W2904651712 @default.
- W4308346470 cites W2915404571 @default.
- W4308346470 cites W2953697258 @default.
- W4308346470 cites W2955985044 @default.
- W4308346470 cites W2963230088 @default.
- W4308346470 cites W2963350427 @default.
- W4308346470 cites W3021623846 @default.
- W4308346470 cites W3039883580 @default.
- W4308346470 cites W3106415243 @default.
- W4308346470 cites W3108504761 @default.
- W4308346470 cites W3124385149 @default.
- W4308346470 cites W3126807580 @default.
- W4308346470 cites W3158994631 @default.
- W4308346470 cites W3165322252 @default.
- W4308346470 cites W3192659438 @default.
- W4308346470 cites W3194425971 @default.
- W4308346470 cites W3200614198 @default.
- W4308346470 cites W3202294535 @default.
- W4308346470 cites W3204120035 @default.
- W4308346470 cites W3214213028 @default.
- W4308346470 cites W4200487613 @default.
- W4308346470 cites W4225153204 @default.
- W4308346470 cites W4292086883 @default.
- W4308346470 cites W4303437957 @default.
- W4308346470 doi "https://doi.org/10.1016/j.matdes.2022.111308" @default.
- W4308346470 hasPublicationYear "2022" @default.
- W4308346470 type Work @default.
- W4308346470 citedByCount "4" @default.
- W4308346470 countsByYear W43083464702023 @default.
- W4308346470 crossrefType "journal-article" @default.
- W4308346470 hasAuthorship W4308346470A5032016801 @default.
- W4308346470 hasAuthorship W4308346470A5048110184 @default.
- W4308346470 hasAuthorship W4308346470A5059269261 @default.
- W4308346470 hasAuthorship W4308346470A5066707165 @default.
- W4308346470 hasAuthorship W4308346470A5072476044 @default.
- W4308346470 hasConcept C106301342 @default.
- W4308346470 hasConcept C115624301 @default.
- W4308346470 hasConcept C121089165 @default.
- W4308346470 hasConcept C121332964 @default.
- W4308346470 hasConcept C124589349 @default.
- W4308346470 hasConcept C155860418 @default.
- W4308346470 hasConcept C159985019 @default.
- W4308346470 hasConcept C185592680 @default.
- W4308346470 hasConcept C192562407 @default.
- W4308346470 hasConcept C199360897 @default.
- W4308346470 hasConcept C24890656 @default.
- W4308346470 hasConcept C26873012 @default.