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SELF-DIFFUSION IN NANOCRYSTALLINE METALS: MODELING THE CONTRIBUTIONS OF TRIPLE JUNCTIONS AND GRAIN BOUNDARIES
2025-12-22
This study presents an analytical model for quantifying grain boundary (GB) and triple junction (TJ) contributions to self-diffusion in nanocrystalline metals. Using the tetradecahedral grain model and Maxwell–Garnett effective medium approximation, we derive closed-form expressions that relate the effective diffusion coefficient Deff to the fraction of intercrystalline atoms gi . The derived formulas allow direct calculation of GB diffusion coefficients Dgb and TJ fractions gij without requiring prior knowledge of grain size d or boundary width δ. The model eliminates the need for explicit geometric parameters in diffusion analysis and provides a practical framework for interpreting atomistic simulation data. The approach demonstrates how microstructure-dependent diffusion can be extracted from bulk
measurements or computational results.
Ссылка для цитирования:
Уразалиев М. 2025. SELF-DIFFUSION IN NANOCRYSTALLINE METALS: MODELING THE CONTRIBUTIONS OF TRIPLE JUNCTIONS AND GRAIN BOUNDARIES. PREPRINTS.RU. https://doi.org/10.24108/preprints-3114146
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