Matches in SemOpenAlex for { <https://semopenalex.org/work/W1979491185> ?p ?o ?g. }
- W1979491185 endingPage "3303" @default.
- W1979491185 startingPage "3281" @default.
- W1979491185 abstract "An optimal integration of modern computational tools and efficient experimentation is presented for the accelerated design of Nb-based superalloys. Integrated within a systems engineering framework, we have used ab initio methods along with alloy theory tools to predict phase stability of solid solutions and intermetallics to accelerate assessment of thermodynamic and kinetic databases enabling comprehensive predictive design of multicomponent multiphase microstructures as dynamic systems. Such an approach is also applicable for the accelerated design and development of other high performance materials. Based on established principles underlying Ni-based superalloys, the central microstructural concept is a precipitation strengthened system in which coherent cubic aluminide phase(s) provide both creep strengthening and a source of Al for Al2O3 passivation enabled by a Nb-based alloy matrix with required ductile-to-brittle transition temperature, atomic transport kinetics and oxygen solubility behaviors. Ultrasoft and PAW pseudopotentials, as implemented in VASP, are used to calculate total energy, density of states and bonding charge densities of aluminides with B2 and L21 structures relevant to this research. Characterization of prototype alloys by transmission and analytical electron microscopy demonstrates the precipitation of B2 or L21 aluminide in a (Nb) matrix. Employing Thermo-Calc and DICTRA software systems, thermodynamic and kinetic databases are developed for substitutional alloying elements and interstitial oxygen to enhance the diffusivity ratio of Al to O for promotion of Al2O3 passivation. However, the oxidation study of a Nb–Hf–Al alloy, with enhanced solubility of Al in (Nb) than in binary Nb–Al alloys, at 1300 °C shows the presence of a mixed oxide layer of NbAlO4 and HfO2 exhibiting parabolic growth." @default.
- W1979491185 created "2016-06-24" @default.
- W1979491185 creator A5004805647 @default.
- W1979491185 creator A5010151276 @default.
- W1979491185 date "2007-06-01" @default.
- W1979491185 modified "2023-10-01" @default.
- W1979491185 title "Integrated design of Nb-based superalloys: Ab initio calculations, computational thermodynamics and kinetics, and experimental results" @default.
- W1979491185 cites W1520881098 @default.
- W1979491185 cites W1772299910 @default.
- W1979491185 cites W1964753832 @default.
- W1979491185 cites W1965239712 @default.
- W1979491185 cites W1965683338 @default.
- W1979491185 cites W1967240456 @default.
- W1979491185 cites W1967539050 @default.
- W1979491185 cites W1970127494 @default.
- W1979491185 cites W1971085834 @default.
- W1979491185 cites W1971464864 @default.
- W1979491185 cites W1973758708 @default.
- W1979491185 cites W1975447770 @default.
- W1979491185 cites W1976721237 @default.
- W1979491185 cites W1979544533 @default.
- W1979491185 cites W1980370048 @default.
- W1979491185 cites W1982902831 @default.
- W1979491185 cites W1983550945 @default.
- W1979491185 cites W1983647164 @default.
- W1979491185 cites W1986575501 @default.
- W1979491185 cites W1988025246 @default.
- W1979491185 cites W1988407503 @default.
- W1979491185 cites W1991006541 @default.
- W1979491185 cites W1991404580 @default.
- W1979491185 cites W2001973371 @default.
- W1979491185 cites W2003405707 @default.
- W1979491185 cites W2007048882 @default.
- W1979491185 cites W2007395042 @default.
- W1979491185 cites W2008642799 @default.
- W1979491185 cites W2011213534 @default.
- W1979491185 cites W2013399962 @default.
- W1979491185 cites W2013991852 @default.
- W1979491185 cites W2016776824 @default.
- W1979491185 cites W2017722975 @default.
- W1979491185 cites W2017983599 @default.
- W1979491185 cites W2021418234 @default.
- W1979491185 cites W2024876471 @default.
- W1979491185 cites W2025023438 @default.
- W1979491185 cites W2026233069 @default.
- W1979491185 cites W2031991848 @default.
- W1979491185 cites W2032678849 @default.
- W1979491185 cites W2036113194 @default.
- W1979491185 cites W2042242287 @default.
- W1979491185 cites W2043483114 @default.
- W1979491185 cites W2044364116 @default.
- W1979491185 cites W2045297673 @default.
- W1979491185 cites W2050842006 @default.
- W1979491185 cites W2051097753 @default.
- W1979491185 cites W2051813901 @default.
- W1979491185 cites W2052637367 @default.
- W1979491185 cites W2055160616 @default.
- W1979491185 cites W2055918144 @default.
- W1979491185 cites W2063135037 @default.
- W1979491185 cites W2063570282 @default.
- W1979491185 cites W2064807075 @default.
- W1979491185 cites W2067100017 @default.
- W1979491185 cites W2067589737 @default.
- W1979491185 cites W2068063134 @default.
- W1979491185 cites W2069026416 @default.
- W1979491185 cites W2071072542 @default.
- W1979491185 cites W2072263097 @default.
- W1979491185 cites W2074734747 @default.
- W1979491185 cites W2078236179 @default.
- W1979491185 cites W2079451102 @default.
- W1979491185 cites W2083222334 @default.
- W1979491185 cites W2087291193 @default.
- W1979491185 cites W2087585288 @default.
- W1979491185 cites W2087698390 @default.
- W1979491185 cites W2089567268 @default.
- W1979491185 cites W2089759220 @default.
- W1979491185 cites W2092165224 @default.
- W1979491185 cites W2092191818 @default.
- W1979491185 cites W2103183257 @default.
- W1979491185 cites W2104196136 @default.
- W1979491185 cites W2116308505 @default.
- W1979491185 cites W2121431463 @default.
- W1979491185 cites W2148471537 @default.
- W1979491185 cites W2149690391 @default.
- W1979491185 cites W2168727056 @default.
- W1979491185 cites W2314988820 @default.
- W1979491185 cites W2318492820 @default.
- W1979491185 cites W2329150415 @default.
- W1979491185 cites W2606425534 @default.
- W1979491185 cites W3102933769 @default.
- W1979491185 cites W4210886122 @default.
- W1979491185 cites W4256527620 @default.
- W1979491185 cites W796189605 @default.
- W1979491185 doi "https://doi.org/10.1016/j.actamat.2007.01.036" @default.
- W1979491185 hasPublicationYear "2007" @default.
- W1979491185 type Work @default.
- W1979491185 sameAs 1979491185 @default.
- W1979491185 citedByCount "69" @default.