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Electronic structure & yield strength prediction for dislocation-Mo complex in the γ phase of nickel-based superalloys

Electronic structure & yield strength prediction for dislocation-Mo complex in the γ phase of nickel-based superalloys
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摘要 Molybenum's effects when added in the γ phase of nickel-based superalloys were studied using the lattice Green's function multiscale method. The electronic structure of the dislocation-Mo complex was analyzed and hybridization was found to contribute to the strengthening. Moreover, by combining the interaction energies calculated from two scales, the yield stress was theoretically predicted at 0 K and finite temperature. Molybenum's effects when added in the γ phase of nickel-based superalloys were studied using the lattice Green's function multiscale method. The electronic structure of the dislocation-Mo complex was analyzed and hybridization was found to contribute to the strengthening. Moreover, by combining the interaction energies calculated from two scales, the yield stress was theoretically predicted at 0 K and finite temperature.
出处 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第7期1-6,共6页 中国物理B(英文版)
基金 Project supported by Beijing Municipality Science&Technology Commission,China(Grant No.D161100002416001)
关键词 electronic structure dislocation-Mo complex critical resolved shear stress electronic structure, dislocation-Mo complex, critical resolved shear stress
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