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(Ti, Nb)C particles reinforced Ni45 coatings were made by a fiber laser system. The atomic structure, interfacial stability, interfacial fracture toughness, electronic structure and bonding nature of gamma-Ni/(Ti, Nb)C were systematically analyzed using first principles calculations. TEM results showed that the interface orientation relationship of gamma-Ni/(Ti, Nb)C was [0 (1) over bar0](202)//[00 (1) over bar](220). For the gamma-Ni/(Ti, Nb)C interfaces, the stacking sites have much influence than the substitution position of Ti, the center-site stacking interfaces shower higher adhesion work and lower interface energy, indicating the interfacial alloying or new phases were prone to formed. According to the interfacial fracture toughness results, the mechanical failure of gamma-Ni/(Ti, Nb)C may initiate at the interface or close to gamma-Ni rather than (Ti, Nb)C. The bonding behavior of gamma-Ni/(Ti, Nb)C was a blend of covalent bond and partial ionic bond. The chemical bonding properties of interfacial atoms were also discussed in view of electronic structure and partial density of states (PDOS) results.
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