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The ternary Ni–Al–Co embedded-atom-method potential for γ/γ Ni-based single-crystal superalloys: Construction and application

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Chinese Physics B 2014年第3期23卷 224-231页

作者：杜俊平王崇愚于涛 Central Iron and Steel Research Institute Department of Physics Tsinghua University The International Center for Materials Physics Chinese Academy of Sciences

An Ni-AI-Co system embedded-atom-method potential is constructed for the γ（Ni）/γ＇（Ni3A1） superalloy based on experiments and first-principles calculations. The stacking fault energies （SFEs） of the Ni（Co, A1） random solid solutions are calculated as a function of the concentrations of Co and A1. The calculated SFEs decrease with increasing concentrations of Co and A1, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni（Co） solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ（Ni） may be improved by the addition of Co.

关键词： interatomic interaction potential embedded-atom method Ni-based single-crystal superalloys

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interaction potential of two nonidentical ground-state atoms

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Communications in Theoretical Physics 2023年第8期75卷 100-110页

作者： Yan Peng Shijing Cheng Wenting Zhou Department of Physics Synergetic Innovation Center for Quantum Effects and Applications and Institute of Interdisciplinary StudiesHunan Normal UniversityChangsha 410081China School of Physics and Information Engineering Shanxi Normal UniversityTaiyuan 030031China Department of Physics School of Physical Science and TechnologyNingbo UniversityNingbo 315211China

We study the interaction potential of two nonidentical ground-state atoms coupled to a scalar field in a vacuum by separately calculating the contributions of vacuum fluctuations and those of the radiation reaction of the *** cases of atoms in a free space and in parallel or vertical alignment to a reflecting boundary are *** the former case,we find that the leading-order interaction potential in the regionλA?L?λB exhibits the same separationdependence as that in the region L?λA?λB,where L,λA andλB are respectively the interatomic separation and the transition wavelengths of two atoms withλA?λ*** the latter case,we find that boundary-induced modifications are very remarkable when L?z,with z characterizing the separation between the two-atom system and the ***,when L further satisfies L?λA and L?λB,the interaction potential in the parallel-and the verticalalignment cases respectively scales as z4L-7 and z2L-5,the L-dependence of which is one order higher than those of two atoms in regions where L?z and meanwhile L?λA or/and L?λ*** results suggest that retardation for the interaction potential of two nonidentical atoms with remarkably distinctive transition frequencies happens only when the interatomic separation is much greater than the transition wavelengths of both atoms.

关键词： boundary effects interatomic interaction potential nonidentical atoms with remarkably distinctive transition frequencies

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