Composition effect on elastic properties of model NiCo-based superalloys

doi:10.1088/1674-1056/ab6204

摘要/Abstract

摘要： NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys. Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures. The lattice constant, bulk modulus, and elastic constants vary linearly with the Co concentration in the NiCo solution. In the selected (Ni, Co)₃(Al, W) and (Ni, Co)₃(Al, Ti) model γ' phase, the lattice constant, and bulk modulus show a linear trend with alloying element concentrations. The addition of Co, Ti, and W can regulate lattice mismatch and increase the bulk modulus, simultaneously. W-addition shows excellent performance in strengthening the elastic properties in the γ' phase. Systems become unstable with higher W and Ni contents, e.g., (Ni_0.75Co_0.25)₃(Al_0.25 W_0.75), and become brittle with higher W and Co addition, e.g., Co₃(Al_0.25 W_0.75). Furthermore, Co, Ti, and W can increase the elastic constants on the whole, and such high elastic constants always correspond to a high elastic modulus. The anisotropy index always corresponds to the nature of Young's modulus in a specific direction.

关键词: NiCo-based superalloys, elastic constants, special quasi-random structures (SQS), directional Young's modulus

Abstract: NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys. Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures. The lattice constant, bulk modulus, and elastic constants vary linearly with the Co concentration in the NiCo solution. In the selected (Ni, Co)₃(Al, W) and (Ni, Co)₃(Al, Ti) model γ' phase, the lattice constant, and bulk modulus show a linear trend with alloying element concentrations. The addition of Co, Ti, and W can regulate lattice mismatch and increase the bulk modulus, simultaneously. W-addition shows excellent performance in strengthening the elastic properties in the γ' phase. Systems become unstable with higher W and Ni contents, e.g., (Ni_0.75Co_0.25)₃(Al_0.25 W_0.75), and become brittle with higher W and Co addition, e.g., Co₃(Al_0.25 W_0.75). Furthermore, Co, Ti, and W can increase the elastic constants on the whole, and such high elastic constants always correspond to a high elastic modulus. The anisotropy index always corresponds to the nature of Young's modulus in a specific direction.

Key words: NiCo-based superalloys, elastic constants, special quasi-random structures (SQS), directional Young's modulus

中图分类号: (Metals and alloys)

61.82.Bg

62.20.-x (Mechanical properties of solids) 63.50.Gh (Disordered crystalline alloys) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)

李伟节, 王崇愚. Composition effect on elastic properties of model NiCo-based superalloys[J]. 中国物理B, 2020, 29(2): 26102-026102.

Weijie Li(李伟节), Chongyu Wang(王崇愚). Composition effect on elastic properties of model NiCo-based superalloys[J]. Chin. Phys. B, 2020, 29(2): 26102-026102.

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