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The relative role of thermal expansion and composition changes in the temperature dependence of the lattice misfit in γ/γ′ alloys was investigated on the basis of ab initio calculations. We show that over a wide temperature range, up to approximately 0.6T melt , the lattice misfit is determined by the difference in thermal expansion of γ and γ′ phases and exhibits only a slight variation....
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...
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