A method for evaluating the deformability of a nickel-based alloy containing composite point defects

Abstract

A method for evaluating the deformability of a nickel-based alloy containing composite point defects. Considering the influence of vacancy and solute atoms on the generalized stacking fault energy ofnickel-based alloys, Fully considering the establishment of supercell model, the deformability of Ni-based alloys with composite point defects is evaluated by the calculation of generalized stacking fault energy. The method includes the following steps: firstly, determining the most stable relative positions of vacancies and solute atoms in Ni-based alloys; secondly, establishing a supercell modelfor calculating that generalize stacking fault energy of the nickel-based alloy; thirdly, the generalized stacking fault energy of Ni-based alloys containing vacancies and solute atoms being calculated; in the fourth step, the plastic deformation behavior is evaluated according to the generalized stacking fault energy. The invention fully considers the important parameters which can influence thestructure model when establishing the model, including the vacuum layer thickness, the atomic layer number and the relaxation system, effectively prevents the calculation result deviation caused by the unreasonable structure model in the calculation process of the generalized stacking fault energy, improves the calculation efficiency and reduces the calculation cost.

Description

technical field [0001] The present invention is a method for evaluating the deformability of nickel-based alloys containing complex point defects. This method considers the joint influence of vacancies and solute atoms on the generalized stacking fault energy of nickel-based alloys, and fully considers the establishment of supercell models. Through generalized Calculation of stacking fault energy to evaluate the deformability of nickel-based alloys containing multiple point defects. Background technique [0002] Nickel-based superalloys have good oxidation resistance, high thermal conductivity, high strength and plasticity in a wide temperature range. They are very important high-temperature structural materials and are widely used in aerospace, energy and chemical industries. Especially aero engine combustors, turbine disks and turbine blades. At present, the common strengthening methods of nickel-based superalloys include solid solution strengthening, second phase strengt...

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Problems solved by technology

However, the stacking fault energy describing this kind of stacking fault is difficult to measure accurately in experiments, and it is difficult to describe the influence of other factors such as solute atoms on the stacking fault energy

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