Conductivity of Multicomponent Alloy under Solid Solution Short-Range Order Cluster Model

ACS Omega. 2023 Mar 27;8(13):11987-11998. doi: 10.1021/acsomega.2c07644. eCollection 2023 Apr 4.

Abstract

The characteristic of short-range order of multicomponent alloy solid solution promotes the necessity of deeply studying and establishing the microatomic structure behind the alloy components as well as the association with the corresponding macro-physical properties, so as to guide the development of high-performance multicomponent alloys through effective composition theory design. In this research, the popular Inconel 718 nickel-base superalloy with wide application and development is taken as an example. On the one hand, on the basis of the method of "the nearest neighbor cluster plus connecting atom" qualitatively proposed by predecessors to characterize the short-range order atomic arrangement structure of multicomponent alloy solid solution due to the interaction between electrons of atoms introduced into solid solution, Friedel oscillation potential function is generated and associated with the radial density of the corresponding atomic arrangement. On the other hand, according to the construction method of the nearest neighbor cluster in alloy phase that proposes the definition of using the maximum density of atomic radial arrangement to meet the minimum principle of energy stacking, the creatively accurate expression on the spatial structure of short-range order cluster of multicomponent alloy solid solution is achieved in a quantitative manner. Furthermore, with the impact of spatial distribution content of atoms in multicomponent alloy on the external current electron scattering rate (i.e., resistivity), the accurate analysis on the conductivity of multicomponent alloy by using the short-range order cluster model of alloy solid solution is realized through the weighting idea of atomic content of each element to the resistivity (the prediction rate is within 5%).