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• W2946332452 abstract "The structural, elastic and electronic properties of Nb-Cr-Si based alloys have been investigated by employing first-principles calculations from CASTEP program based on density functional theory (DFT). The calculated lattice parameters of Nb-Cr-Si based alloys are in good agreement with the experimental values. The elastic constants of NbCrSi are calculated. The bulk modulus, shear modulus, Young's modulus and Poisson's ratio of NbCrSi are obtained, which show that NbCrSi lies on the borderline of ductile to brittle transitions. Furthermore, all Nb-Cr-Si based alloys considered in this work are conductive phases." @default.
• W2946332452 created "2019-05-29" @default.
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• W2946332452 date "2019-09-01" @default.
• W2946332452 modified "2023-10-10" @default.
• W2946332452 title "Structural and electronic properties of Nb-Cr-Si based alloys: First-principles calculations" @default.
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• W2946332452 doi "https://doi.org/10.1016/j.physb.2019.05.023" @default.
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