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1. An Effective Stress Model for Unsaturated Soils at Elevated Temperatures

   https://doi.org/10.1061/9780784482827.040  

   Thota, Sannith Kumar; Cao, Toan Duc; Vahedifard, Farshid; Ghazanfari, Ehsan (February 2020, Geo-Congress 2020: Geo-Systems, Sustainability, Geoenvironmental Engineering, and Unsaturated Soil Mechanics, Geotechnical Special Publication No. 319)

   null (Ed.)

   Key engineering properties of unsaturated soils such as volume change and shear strength can be defined using the effective stress principle. Several problems like prolonged drought, high-level radioactive waste, buried high voltage cables can subject surface and near-surface unsaturated soils to elevated temperatures. Such elevated temperatures can affect the hydraulic and mechanical behavior of unsaturated soils. It is very important to develop a closed-form model that can reasonably estimate the effective stresses under different elevated temperatures. For this purpose, the current study incorporates the temperature effect into a suction stress-based representation of Bishop’s effective stress. The proposed model accounts for the effect of temperature on matric suction and degree of saturation. A temperature-dependent soil water retention curve is used to account for thermal effects on surface tension, contact angle, and enthalpy of immersion per unit area. The proposed effective stress model is then used to calculate the effective stress for two soils, Pachapa loam, and Seochang sandy clay, at various temperatures ranging from 25°C to 100°C. The validity of the model is examined by comparing the predicted effective degree of saturation and suction stress values against the experimental data reported in the literature for GMZ01 bentonite. At a constant net normal stress, the results for both soils show that the impact of temperature on effective stress can be significant. The proposed model can be used for studying geotechnical and geoenvironmental engineering applications that involve elevated temperatures. 

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2. Prediction of carbon nanostructure mechanical properties and the role of defects using machine learning

   https://doi.org/10.1073/pnas.2415068122  

   Winetrout, Jordan_J; Li, Zilu; Zhao, Qi; Gaber, Landon; Unnikrishnan, Vinu; Varshney, Vikas; Xu, Yanxun; Wang, Yusu; Heinz, Hendrik (March 2025, Proceedings of the National Academy of Sciences)

   Graphene-based nanostructures hold immense potential as strong and lightweight materials, however, their mechanical properties such as modulus and strength are difficult to fully exploit due to challenges in atomic-scale engineering. This study presents a database of over 2,000 pristine and defective nanoscale CNT bundles and other graphitic assemblies, inspired by microscopy, with associated stress–strain curves from reactive molecular dynamics (MD) simulations using the reactive INTERFACE force field (IFF-R). These 3D structures, containing up to 80,000 atoms, enable detailed analyses of structure-stiffness-failure relationships. By leveraging the database and physics- and chemistry-informed machine learning (ML), accurate predictions of elastic moduli and tensile strength are demonstrated at speeds 1,000 to 10,000 times faster than efficient MD simulations. Hierarchical Graph Neural Networks with Spatial Information (HS-GNNs) are introduced, which integrate chemistry knowledge. HS-GNNs as well as extreme gradient boosted trees (XGBoost) achieve forecasts of mechanical properties of arbitrary carbon nanostructures with only 3 to 6% mean relative error. The reliability equals experimental accuracy and is up to 20 times higher than other ML methods. Predictions maintain 8 to 18% accuracy for large CNT bundles, CNT junctions, and carbon fiber cross-sections outside the training distribution. The physics- and chemistry-informed HS-GNN works remarkably well for data outside the training range while XGBoost works well with limited training data inside the training range. The carbon nanostructure database is designed for integration with multimodal experimental and simulation data, scalable beyond 100 nm size, and extendable to chemically similar compounds and broader property ranges. The ML approaches have potential for applications in structural materials, nanoelectronics, and carbon-based catalysts. 

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3. The strength of an adhesive contact in the presence of interfacial defects

   https://doi.org/10.17632/kwy63t55j7.1  

   Booth, Jamie; Jones, Coby; Hale, Jamie; Minsky, Helen (October 2024, Mendeley Data)

   Adhesive contacts which possess a dominant stress concentration, such as at the contact edge in spherical junctions or at the detachment front in a peeling film, are well studied. More complex adhesive junction geometries, such as mushroom-shaped fibrils in bioinspired micropatterned dry adhesives, have exhibited a complex dependence of adhesive strength on the presence of interfacial defects within the contact. This has led to the emergence of statistical variation of the local behavior among micropatterned sub-contacts. In order to examine the interplay between geometry and interfacial defect character in control of the adhesive strength, the model system of a stiff cylindrical probe on an elastic layer is examined. Both experiments (glass on PDMS) and cohesive zone finite element simulations are performed, with analytical asymptotic limits also considered. The thickness of the elastic layer is varied to alter the interfacial stress distribution, with thinner layers having a reduced edge stress concentration at the expense of increased stress at the contact center. The size and position of manufactured interfacial defects is varied. It is observed that for the thickest substrates the edge stress concentration is dominant, with detachment propagating from this region regardless of the presence of an interfacial defect within the contact. Only very large center defects, with radius greater than half of that of the contact influence the adhesive strength. This transition is in agreement with analytical asymptotic limits. As the substrate is made thinner and the stress distribution changes, a strong decay in adhesive strength with increasing center defect radius emerges. For the thinnest substrate the flaw-insensitive upper bound is approached, suggesting that this decay is dominated by a reduction in the contact area. For penny-shaped defects at increasing radial positions, the adhesive strength for the thinnest substrates becomes non-monotonic. This confirms an intricate interplay between the geometry-controlled interfacial stress distribution and the size and position of interfacial defects in adhesive contacts, which will lead to statistical variation in strength when defects form due to surface roughness, fabrication imperfections, or contaminant particles. 

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4. The strength of an adhesive contact in the presence of interfacial defects

   https://doi.org/10.1016/j.eml.2024.102238  

   Jones, Coby K; Hale, Jamie L; Minsky, Helen K; Booth, Jamie A (November 2024, Extreme Mechanics Letters)

   Adhesive contacts which possess a dominant stress concentration, such as at the contact edge in spherical junctions or at the detachment front in a peeling film, are well studied. More complex adhesive junction geometries, such as mushroom-shaped fibrils in bioinspired micropatterned dry adhesives, have exhibited a complex dependence of adhesive strength on the presence of interfacial defects within the contact. This has led to the emergence of statistical variation of the local behavior among micropatterned sub-contacts. In order to examine the interplay between geometry and interfacial defect character in control of the adhesive strength, the model system of a stiff cylindrical probe on an elastic layer is examined. Both experiments (glass on PDMS) and cohesive zone finite element simulations are performed, with analytical asymptotic limits also considered. The thickness of the elastic layer is varied to alter the interfacial stress distribution, with thinner layers having a reduced edge stress concentration at the expense of increased stress at the contact center. The size and position of manufactured interfacial defects is varied. It is observed that for the thickest substrates the edge stress concentration is dominant, with detachment propagating from this region regardless of the presence of an interfacial defect within the contact. Only very large center defects, with radius greater than half of that of the contact influence the adhesive strength. This transition is in agreement with analytical asymptotic limits. As the substrate is made thinner and the stress distribution changes, a strong decay in adhesive strength with increasing center defect radius emerges. For the thinnest substrate the flaw-insensitive upper bound is approached, suggesting that this decay is dominated by a reduction in the contact area. For penny-shaped defects at increasing radial positions, the adhesive strength for the thinnest substrates becomes non-monotonic. This confirms an intricate interplay between the geometry-controlled interfacial stress distribution and the size and position of interfacial defects in adhesive contacts, which will lead to statistical variation in strength when defects form due to surface roughness, fabrication imperfections, or contaminant particles. 

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5. Lagrangian investigation of the interface dynamics in single-mode Rayleigh–Taylor instability

   https://doi.org/10.1063/5.0168633  

   Zhao, Dongxiao; Xiao, Lanlan; Aluie, Hussein; Wei, Ping; Lin, Chensen (October 2023, Physics of Fluids)

   We apply Lagrangian particle tracking to the two-dimensional single-mode Rayleigh–Taylor (RT) instability to study the dynamical evolution of fluid interface. At the onset of the nonlinear RT stage, we select three ensembles of tracer particles located at the bubble tip, at the spike tip, and inside the spiral of the mushroom structure, which cover most of the interfacial region as the instability develops. Conditional statistics performed on the three sets of particles and over different RT evolution stages, such as the trajectory curvature, velocity, and acceleration, reveals the temporal and spatial flow patterns characterizing the single-mode RT growth. The probability density functions of tracer particle velocity and trajectory curvature exhibit scalings compatible with local flow topology, such as the swirling motion of the spiral particles. Large-scale anisotropy of RT interfacial flows, measured by the ratio of horizontal to vertical kinetic energy, also varies for different particle ensembles arising from the differing evolution patterns of the particle acceleration. In addition, we provide direct evidence to connect the RT bubble re-acceleration to its interaction with the transported fluid from the spike side, due to the shear driven Kelvin–Helmholtz instability. Furthermore, we reveal that the secondary RT instability inside the spiral, which destabilizes the spiraling motion and induces complex flow structures, is generated by the centrifugal acceleration. 

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