High-throughput determination of high-quality interdiffusion coefficients in metallic solids: a review

Zhong, Jue; Chen, Li; Zhang, Lijun

doi:10.1007/s10853-020-04805-1

Cited by 36 publications

(5 citation statements)

References 150 publications

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“…Diffusion in crystalline materials 31 finds many applications in industrial domains such as micro-electronics, 32,33 energy, 34,35 nuclear, 36,37 and corrosion 38 for instance. For such applications, it is necessary to link the atomic scale description to the macroscopic scale features for the design and/or optimization toward the tailored final properties.…”

Section: Diffusion In Crystalline Materialsmentioning

confidence: 99%

Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes

Lionel

Hémeryck

Landa

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Diffusion In Crystalline Materialsmentioning

confidence: 99%

Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes

Lionel

Hémeryck

Landa

et al. 2022

Phys. Chem. Chem. Phys.

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“…The average ternary interdiffusion coefficients are evaluated by the method proposed by Dayananda and Sohn [ 21 ]. The interested reader will find sufficient references on methods for the determination of the interdiffusion coefficients in metallic solids in the review article by Zhong et al [ 22 ]. The effects of temperature, annealing time, and vacancy on the self-diffusion and main and cross-interdiffusion coefficients of components are studied.…”

Section: Introductionmentioning

confidence: 99%

Effect of Vacancy Defect Content on the Interdiffusion of Cubic and Hexagonal SiC/Al Interfaces: A Molecular Dynamics Study

et al. 2023

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The mechanical properties of ceramic–metal nanocomposites are greatly affected by the equivalent properties of the interface of materials. In this study, the effect of vacancy in SiC on the interdiffusion of SiC/Al interfaces is investigated using the molecular dynamics method. The SiC reinforcements exist in the whisker and particulate forms. To this end, cubic and hexagonal SiC lattice polytypes with the Si- and C-terminated interfaces with Al are considered as two samples of metal matrix nanocomposites. The average main and cross-interdiffusion coefficients are determined using a single diffusion couple for each system. The interdiffusion coefficients of the defective SiC/Al are compared with the defect-free SiC/Al system. The effects of temperature, annealing time, and vacancy on the self- and interdiffusion coefficients are investigated. It is found that the interdiffusion of Al in SiC increases with the increase in temperature, annealing time, and vacancy.

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“…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. Among different types of diffusion coefficients, including self-, impurity, intrinsic, and chemical diffusion coefficients, the impurity diffusion coefficient, defined as the diffusion rate of a solute with an extremely low concentration in a solvent [7], might be the most important one.…”

Section: Introductionmentioning

confidence: 99%

An Effective Approach to Acquire the Impurity Diffusion Coefficients in Binary Alloys with Quantified Uncertainties

Zhang

Zou

et al. 2021

Metals

Self Cite

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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.

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High-throughput determination of high-quality interdiffusion coefficients in metallic solids: a review

Cited by 36 publications

References 150 publications

Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes

Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes

Effect of Vacancy Defect Content on the Interdiffusion of Cubic and Hexagonal SiC/Al Interfaces: A Molecular Dynamics Study

An Effective Approach to Acquire the Impurity Diffusion Coefficients in Binary Alloys with Quantified Uncertainties

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