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• W2043929101 abstract "The electronic structure and fracture energy characteristics of the NiAl/Mo interface have been investigated by the full-potential linear muffin-tin orbital method. We optimized the crystal geometry of the coherent interface and calculated the ideal work of adhesion and interfacial shear energies. For the first time, based on ab-initio calculations, the structure and energy of misfit dislocations were determined within the Peierls–Nabarro model with a generalized restoring force law. The bonding at the coherent interface is found to be close to that of bulk NiAl, but the appearance of the misfit dislocations leads to a drastic weakening of the NiAl/Mo interface." @default.
• W2043929101 created "2016-06-24" @default.
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• W2043929101 date "2004-02-01" @default.
• W2043929101 modified "2023-09-25" @default.
• W2043929101 title "Ab-initio study of interfacial strength and misfit dislocations in eutectic composites: NiAl/Mo" @default.
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• W2043929101 doi "https://doi.org/10.1016/j.actamat.2003.10.004" @default.
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