- Research Article
- 10.1080/00223131.2026.2668868
Physics-guided machine learning recovers Archie-type scaling and interlayer diffusion mechanisms for sodium transport in compacted bentonite buffers
- May 03, 2026
- Journal of Nuclear Science and Technology
- Neng-Chuan Tien
ABSTRACT This study develops a physics‑guided machine learning framework to predict sodium (Na+) diffusion in compacted bentonite and to examine whether classical transport relationships can be recovered directly from archival data. A curated subset of Na+ diffusion experiments is extracted from the JAEA Diffusion Database, covering a broad range of dry densities, porosities, and temperatures. The model is evaluated under a Solid+Reference Group K‑fold cross‑validation scheme in which all measurements from a given material-reference combination are kept either in training or in testing, so that interpolation within individual experimental series is clearly separated from cross‑material generalization. Under this leakage‑resistant design, the coefficient of determination (R2) is markedly lower than in standard random K‑fold validation, underscoring the impact of validation strategy on the perceived predictive performance. Despite the absence of explicit constitutive equations in the learning algorithm, the inferred dependence of effective diffusivity on porosity follows an Archie‑type power law with a cementation exponent within reported ranges for compacted clays. Density‑response analysis further shows that the logarithmic slopes of effective and apparent diffusion coefficients with respect to dry density are nearly parallel, while the rock capacity factor remains approximately constant over the examined compaction range, a pattern consistent with a compensatory interlayer‑diffusion pathway that helps maintain surface‑mediated flux as macroporosity decreases. Two specific contributions emerge from this framework. First, the leakage‑resistant Group K‑fold validation reveals that conventional random splitting substantially overestimates predictive skill for unseen bentonite compositions, a finding with direct implications for the reliability of diffusivity surrogates in repository safety assessment. Second, despite the absence of imposed constitutive equations, the model autonomously recovers an Archie‑type porosity scaling and an interlayer‑diffusion signature consistent with a nearly constant rock capacity factor, demonstrating that carefully validated machine learning can function as a hypothesis‑oriented analytical tool for probing transport mechanisms in engineered barrier systems. Together, these results provide a calibrated benchmark for extending physics‑guided machine learning approaches to chemically more complex radionuclides in geological disposal safety assessments.
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