Abstract
In this paper, we started from the composition-dependent interdiffusion coefficients with quantified uncertainties in binary alloys by integrating the Matano-based method, distribution functions, and uncertainty propagation approach. After carefully defining the numerically stable region for the interdiffusion coefficients, the suitable pre-set functions were screened to achieve the reasonable fit to the D-c and μ-c data according to the Akaike information criterion. With the fitted D-c and μ-c curves, the impurity diffusion coefficients with uncertainties can be directly determined. Benchmark tests in five hypothetical binary systems with different preset D-c relations were then utilized to validate the presently effective approach, followed by practical applications in five real cases, i.e., fcc Ni-Co, fcc Cu-Al, fcc Pt-Ni, hcp Mg-Zn, and bcc Ti-V alloys. The impurity diffusion coefficients with uncertainties derived by the presently effective approach were found to be in excellent agreement with the data by tracer experiments, indicating that this effective approach can serve as a standard one for acquiring the high-quality impurity diffusion coefficients in binary alloys with quantified uncertainties, especially for the noble metals and the cases without suitable radioactive tracer isotopes.
Highlights
Accurate diffusion coefficients are necessities for understanding masses of materials preparation and service processes [1,2,3,4,5,6], such as solidification, precipitation, creep, oxidation, and so on
We start from the general relation between the interdiffusion coefficient and the We start from the general relation between the interdiffusion coefficient and the imimpurity diffusion coefficient in a fictitious A-B binary system, purity diffusion coefficient in a fictitious A-B binary system, B,impurity
The interdiffusion coefficients of fcc Ni-Co alloys together with their uncertainties were re-calculated based on the composition profiles of the Co/Ni diffusion couples annealed at different temperatures [26,27,28,29], following the strategy of Wu et al [18]
Summary
Accurate diffusion coefficients are necessities for understanding masses of materials preparation and service processes [1,2,3,4,5,6], such as solidification, precipitation, creep, oxidation, and so on. Efforts on flourishing impurity diffusion are extensive, but their reliability strongly depends on the known/assumed diffusion information using density functional theory (DFT) based methods [10,11] in recent years mechanisms, and always needs further experimental validation. Proaches for estimation of impurity diffusion coefficients by extrapolating compositionDespite of the straightforward methods mentioned above, several indirect approaches dependent interdiffusion coefficients to the dilute region have been proposed. Metal approach to method is effective when the interdiffusion coefficients at the ends of a diffusion couple a constant at arbitrarily defined narrow composition regions. For the systems with a strong/complex correlation between the diffusion coefficients and Zhao and his colleagues [16]method developed forward-simulation approach forcolleagues binary alloys, the compositions, the Hall’s may alose its effectiveness.
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