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- W2078415461 abstract "Using plane wave ab-initio and Monte Carlo techniques, the Ni/Ni3Al interfacial energy is studied and the results from the different techniques are critically compared. Two issues deserved special attention: the dependency of the interface energy with the supercell size, for the ab-initio calculations, and the temperature dependence of the interface energy. The calculations show that from 0 K up to 1000 K that energy decreases by 1 mJ/m2." @default.
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- W2078415461 date "2012-09-01" @default.
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- W2078415461 title "Energy of Ni/Ni3Al interface: A temperature-dependent theoretical study" @default.
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- W2078415461 doi "https://doi.org/10.1016/j.matlet.2012.05.057" @default.
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