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Abstract The susceptibility of a granular soil to suffusion is strongly dependent on its grain size distribution (GSD) and the mechanical and hydraulic conditions it is subjected to. This study investigates the onset of suffusion considering the effect of confining pressure and stress anisotropy using a fully resolved computational fluid dynamics and discrete element method (CFD–DEM). Three benchmarks, including the sedimentations of single and two adjacent spheres and the classic one‐dimensional (1D) consolidation are performed to demonstrate the capability of this method for high‐fidelity particle‐fluid simulations. A modified hydraulic criterion for the onset of suffusion considering stress anisotropy is presented. The microstructural changes of soil specimens before and during global suffusion are inspected, with emphasis on the evolutions of particle kinetic energy and displacements, force chain networks, and stress anisotropy. We found that the critical hydraulic gradient is negatively correlated with the confining pressure and the degree of stress anisotropy. Fine particles in the soil matrix are locally detached at small hydraulic gradients before the apparent global suffusion, as manifested by the variation of particle kinetic energy and coordination numbers. The roles of different contact types on force transmission and stress anisotropy in eroded specimens are also examined. 

Abstract Efficient and accurate modeling of the coupled thermal‐hydraulic‐mechanical‐chemical (THMC) processes in various rock formations is indispensable for designing energy geo‐structures such as underground repositories for high‐level nuclear wastes. This work focuses on developing and verifying an implicit finite element solver for generic coupled THMC problems in geological settings. Starting from the mass, momentum, and energy balance laws, a specialized set of governing equations and a thermoporoelastic constitutive model is derived. This system is then solved by an implicit finite element (FE) scheme. Specifically, the residuals and the Jacobians are scripted in a user‐defined element (UEL) subroutine which is then combined with the general‐purpose FE software Abaqus Standard to solve initial‐boundary value problems. Considering the complexity of the system, the UEL development follows a stepwise manner by first solving the coupled hydraulic‐mechanical (HM) and thermal‐hydraulic‐mechanical (THM) equations before moving on to the full THMC problem. Each implementation step consists of at least one verification test by comparing computed results with closed‐form analytical solutions to ensure that the various coupling effects are correctly realized. To demonstrate the robustness of the algorithm and to validate the UEL, a three‐dimensional case study is performed with reference to the in‐situ heating test of ATLAS at Belgium in 1980s. A hypothetical radionuclide leakage event is then simulated by activating the chemical‐concentration degree of freedom and prescribing a constant high concentration at the heater's surface. The model predicts a limited contaminated regime after six years considering both diffusion and advection effects on species transport. 

Adsorption-induced swelling occurs in a wide spectrum of natural and engineered porous materials. A key underlying mechanism is the monotonic reduction of solid-fluid surface energy upon fluid adsorption, which lowers the contractive adsorption stress and causes the porous skeleton to swell (Bangham and Fakhoury, 1928). Some mesoporous materials, however, deviate from the monotonic swelling pattern predicted by this mechanism, exhibiting an abrupt shrinkage at intermediate adsorbate partial pressures before swelling resumes and continues to full saturation. This behavior is commonly attributed to capillary condensation of the adsorbate from the vapor to the liquid phase within the pores. Understanding the stresses and the shrinkage induced by capillary condensation is critical in various industrial applications including micro-/nanofabrication, geotechnical engineering in collapsible soils, and sorption-driven actuation technologies. This work aims to develop a unified poromechanics theory that captures the full sequence of adsorption-induced deformation, including initial swelling, contraction during capillary condensation, and resumed expansion near full saturation. The formulation begins with a thermodynamic analysis of an unsaturated deformable porous solid acknowledging the energetics of the solid-fluid (sl), solid-vapor (sv), and liquid-vapor (lv) interfaces. The resulting free energy balance permits the simultaneous derivation of the liquid retention characteristics curve and the coupled mechanical effects driven by adsorption and partial saturation. Within this framework, two strategies for constructing constitutive relations are examined: one explicitly resolves the dynamic evolution of sl-sv-lv interfacial areas to emphasize the underlying physics, while the other partially lumps the surface energies into a macroscopic capillary potential to facilitate model calibration using standard laboratory tests. The models are evaluated using datasets from two markedly different solid-fluid systems: N2 gas adsorption on a hierarchical porous silica at 77 K and water adsorption on a carbon xerogel at 298 K. Both approaches effectively capture the complex, non-monotonic strain isotherms exhibited by the adsorbent. The adsorption-desorption hysteresis is also addressed in a thermodynamically consistent framework. The proposed theory demonstrates both robustness and unifying power in explaining the complex strain isotherms of porous materials along adsorption and desorption paths, covering the entire spectrum from vacuum-dry to fully liquid-saturated states. 

Hygroscopic bilayers replicating the morphing capability of plants upon hydration (e.g., pinecone scales, chiral seed pods) have gained much attention in robotics and material science research in the past decade. Due to variations in humidity, hygroscopic bilayers – comprising a passive substrate and an active porous coating – can convert the chemical potential difference of adsorbate species between the surrounding environment and the pore space to mechanical energy, resulting in development of curvature and forces. In this paper, we present a closed-form analytical model that considers the pore structure of the active layer for predicting the morphing of hygroscopic bilayers subjected to adsorption. For free-end cases, the curvature evolution as a function of relative humidity is predicted by combining a bilayer beam theory and a linear surface poroelasticity model for the active porous layer. For fixed-end scenarios, the reaction force generated by the bilayer is predicted using Castigliano’s second theorem with the same constitutive model. For validation, we consider two types of hydroscopic bilayers with microporous and mesoporous coatings, as tested by Boudot et al. (2016). A new isotherm equation is introduced to capture the adsorption characteristics of mesoporous media at all humidity levels. The predicted curvature and reaction force curves compared well against the experimental data. Finally, the effects of substrate Young’s modulus and the coating’s thickness on the response of the bilayer are studied. The proposed model offers straightforward mechanistic description of hydroscopic bilayers, thereby aiding in the future optimization and design of these systems for engineering applications. 

This study explores the tensile behavior and dynamical heterogeneity of sodium montmorillonite under extreme conditions using molecular dynamics simulations, providing insights to advance the development of clay minerals for engineering applications.