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- W1972347124 abstract "First-principles calculations have been carried out to investigate the incipient oxidation mechanism of FeCrAl alloy. It is found that Al,Y,Cr atoms energetically prefer surface sites, and the driving force of Y segregation to surface is strongest. The surface segregation of Y, Al and Cr will suppress the outward diffusion of Fe, form the tight coherent films of Al 2 O 3 ,Cr 2 O 3 and RE oxides which can restrain oxygen inward diffusion, as a result, leading to the decrease of the growth of oxide films. The O adsorption process at Fe surface are found to be spontaneous, and our calculations predict Al, Cr, Y segregation at Fe surface is beneficial for decreasing the oxidation rate of FeCrAl alloy. The interaction between O and Fe, Cr, Al, Y atoms exists both ionic and covalent binding characteristics. Also Al, Y alloying increases ionic and covalent binding between Al, Y and O, which speed selective oxidation of Al and Y, and hence improves the oxidation performance of FeCrAl containing Y alloy." @default.
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- W1972347124 date "2013-12-01" @default.
- W1972347124 modified "2023-09-27" @default.
- W1972347124 title "The Oxidation Mechanism of FeCrAl Alloy Added with Rare Earth Y from First-Principle Study" @default.
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- W1972347124 doi "https://doi.org/10.4028/www.scientific.net/amr.853.192" @default.
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