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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Response Surface Methodology As a New Approach for Finding Optimal MALDI Matrix Spraying Parameters for Mass Spectrometry Imaging

Automated spraying devices have become ubiquitous in laboratories employing matrixassisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI), in part because they permit control of a number of matrix application parameters that can easily be reproduced for intra- and interlaboratory studies. Determining the optimal parameters for MALDI matrix application, such as temperature, flow rate, spraying velocity, number of spraying cycles, and solvent composition for matrix application, is critical for obtaining high-quality MALDI-MSI data. However, there are no established approaches for optimizing these multiple parameters simultaneously. Instead optimization is performed iteratively (i.e., one parameter at a time), which is time consuming and can lead to overall non-optimal settings. In this report, we demonstrate the use a novel experimental design and the response surface methodology to optimize five parameters of MALDI matrix application using a robotic sprayer. Thirtytwo combinations of MALDI matrix spraying conditions were tested, which allowed us to elucidate relationships between each of the application parameters as determined by MALDI-MS (specifically, using a 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer). As such, we were able to determine the optimal automated spraying parameters that minimized signal de-localization and enabled high MALDI sensitivity. We envision this optimization strategy can be utilized for other MALDI-MSI applications, tissue types, and matrix application approaches.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Novel Zwitterionic Polyurethane-in-Salt Electrolytes with High Ion Conductivity, Elasticity, and Adhesion for High-Performance Solid-State Lithium Metal Batteries

This study presents a novel polymer-in-salt (PIS) zwitterionic polyurethane-based solid polymer electrolyte (zPU-SPE) that offers high ionic conductivity, strong interaction with electrodes, and excellent mechanical and electrochemical stabilities, making it promising for high-performance all solid-state lithium batteries (ASSLBs). The zPU-SPE exhibits remarkable lithium-ion (Li+) conductivity (3.7 × 10⁻⁴ S cm−1 at 25 °C), enabled by exceptionally high salt loading of up to 90 wt.% (12.6 molar ratio of Li salt to polymer unit) without phase separation. It addresses the limitations of conventional SPEs by combining high ionic conductivity with a Li+ transference number of 0.44, achieved through the incorporation of zwitterionic groups that enhance ion dissociation and transport. The high surface energy (338.4 J m−2) and elasticity ensure excellent adhesion to Li anodes, reducing interfacial resistance and ensuring uniform Li+ flux. When tested in Li||zPU||LiFePO₄ and Li||zPU||S/C cells, the zPU-SPE demonstrated remarkable cycling stability, retaining 76% capacity after 2000 cycles with the LiFePO4 cathode, and achieving 84% capacity retention after 300 cycles with the S/C cathode. Molecular simulations and a range of experimental characterizations confirm the superior structural organization of the zPU matrix, contributing to its outstanding electrochemical performance. The findings strongly suggest that zPU-SPE is a promising candidate for next-generation ASSLBs.

Wang, Kun↗
DOE OSTI2025

Habitat specialization and edge effects of soil microbial communities in a fragmented landscape

Abstract Soil microorganisms play outsized roles in nutrient cycling, plant health, and climate regulation. Despite their importance, we have a limited understanding of how soil microbes are affected by habitat fragmentation, including their responses to conditions at fragment edges, or “edge effects.” To understand the responses of soil communities to edge effects, we analyzed the distributions of soil bacteria, archaea, and fungi in an experimentally fragmented system of open patches embedded within a forest matrix. In addition, we identified taxa that consistently differed among patch, edge, or matrix habitats (“specialists”) and taxa that showed no habitat preference (“nonspecialists”). We hypothesized that microbial community turnover would be most pronounced at the edge between habitats. We also hypothesized that specialist fungi would be more likely to be mycorrhizal than nonspecialist fungi because mycorrhizae should be affected more by different plant hosts among habitats, whereas specialist prokaryotes would have smaller genomes (indicating reduced metabolic versatility) and be less likely to be able to sporulate than nonspecialist prokaryotes. Across all replicate sites, the matrix and patch soils harbored distinct microbial communities. However, sites where the contrasts in vegetation and pH between the patch and matrix were most pronounced exhibited larger differences between patch and matrix communities and tended to have edge communities that differed from those in the patch and forest. There were similar numbers of patch and matrix specialists, but very few edge specialist taxa. Acidobacteria and ectomycorrhizae were more likely to be forest specialists, while Chloroflexi, Ascomycota, and Glomeromycota (i.e., arbuscular mycorrhizae) were more likely to be patch specialists. Contrary to our hypotheses, nonspecialist bacteria were not more likely than specialist bacteria to have larger genomes or to be spore‐formers. We found partial support for our mycorrhizal hypothesis: arbuscular mycorrhizae, but not ectomycorrhizae, were more likely to be specialists. Overall, our results indicate that soil microbial communities are sensitive to edges, but not all taxa are equally affected, with arbuscular mycorrhizae in particular showing a strong response to habitat edges. In the context of increasing habitat fragmentation worldwide, our results can help inform efforts to maintain the structure and functioning of the soil microbiome.

Winfrey, Claire C. [Department of Ecology and Evol↗
DOE OSTI2020

Quantitative and three-dimensional assessment of holdup material

Nuclear material deposited in equipment, transfer lines, and ventilation systems of a processing facility is usually referred to as holdup. Operators need to know the location and amount of holdup in their facility for radiation safety and material accountability. In this work, we propose to use an array of detectors co-axial to the inspected pipe to measure the holdup material. This method is implementable into an automated system capable of crawling on surfaces and pipes of various curvatures, which would enable faster, easier, and more accurate holdup safeguards measurements. We first demonstrated that the current holdup assay procedure could lead to a non-negligible bias in the estimate of special nuclear material mass, due to the simplified assumption of deposited geometry introduced by the Generalized Geometry Holdup (GGH) model. The new approach consists of imaging the inner holdup material by characterizing the detector array’s response and unfolding it from the measured light output. Our experimental proof of principle consists of three NaI(Tl) detectors surrounding an aluminum pipe containing two cesium-137 ( 137 Cs) sources. We derived the source distribution inside the pipe by first calculating the detector response matrix using a method adaptive to the surface geometry of the object containing the measured holdup material. Creating a matrix of the detector array’s measured counts, we then proceed to solve an inverse problem, resulting in an accurately located source position and activity distribution within the response matrix’s spatial resolution. Furthermore, we then developed a simulated model of the envisioned experimental setup, which accurately described both the activity and position of the source in 2D. Finally, we extended our model onto a discretized three-dimensional model of the system, encompassing 36 detectors. The model was simulated to measure the source distribution and activity of multiple sources in pipes of varied geometries, which could then be conveniently translated to a real-time holdup measurement protocol. For the 3D simulation of four different source geometries, the model accurately localized the source position in 3D, while the activity retained a maximum relative error of ±5.32%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Hubbard-corrected oxide formation enthalpies without adjustable parameters

A density functional theory (DFT) approach to computing transition metal oxide heat of formation without adjustable parameters is presented. Different degrees of d-electron localization in oxides are treated within the DFT+U approach with site-dependent, first-principles Hubbard U-parameters obtained from linear response theory, and delocalized states in the metallic phases are treated without Hubbard corrections. Comparison of relative stabilities of these differently treated phases is enabled by a local d-electron density matrix-dependent model, which was found by genetic programming against experimental reference formation enthalpies. This mathematically simple model does not explicitly depend on the Hubbard-corrected ionic species and is shown to reproduce the heats of formation of the Mott insulators Ca 2 RuO 4 and Y 2 Ru 2 O 7 within ~3% of experimental results, where the experimental training data did not contain Ru oxides. This newly developed method thus absolves from the need for element-specific corrections fitted to experiments in existing Hubbard-corrected approaches to the prediction of reaction energies of transition metal oxides and metals. The absence of fitting parameters opens up here the possibility to predict relative thermodynamic stabilities and reaction energies involving d-states of varying degree of localization at transition metal oxide interfaces and defects, where site-dependent U-parameters will be particularly important and devising a fitting scheme against experimental data with predictive power would be exceedingly difficult.

transition metal oxides↗
DOE OSTI2025

Reexamining circular dichroism in photoemission from a topological insulator

The orbital angular momentum (OAM) of electron states is an essential ingredient for topological and quantum geometric quantities in solids. For example, Dirac surface states with helical spin- and orbital-angular momenta are a hallmark of a 3D topological insulator. Angle-resolved photoemission spectroscopy (ARPES) with variable circular light polarization, known as circular dichroism (CD), has been assumed to be a direct probe of OAM and, by proxy, of the Berry curvature of electronic bands in energy- and momentum-space. Indeed, topological surface states have been shown to exhibit angle-dependent CD (CDAD), and more broadly, CD is often interpreted as evidence of spin-orbit coupling. Meanwhile, it is well-established that CD originates from the photoemission matrix elements, which can have extrinsic contributions related to the experimental geometry and the inherently broken inversion symmetry at the sample surface. Therefore, it is important to broadly examine CD-ARPES to determine the scenarios in which it provides a robust probe of intrinsic material physics. We performed CD-ARPES on the canonical topological insulator Bi 2 ⁢Se 3 over a wide range of incident photon energies. Not only do we observe angle-dependent CD in the surface states, as expected, but we also find CD of a similar magnitude in virtually all bulk bands. Since OAM is forbidden by inversion symmetry in the bulk, we conclude this originates from symmetry-breaking in the photoemission process. Comparison with theoretical calculations supports this view and suggests that “hidden” OAM—localized to atomic sites within each unit cell—contributes significantly. Additional effects, including inter-atomic interference and final-state resonances, are responsible for the rapid variation of the CDAD signal with photon energy.

Sidilkover, Ittai [Tel Aviv University, Tel Aviv (↗
DOE OSTI2025

Reexamining Circular Dichroism in Photoemission From a Topological Insulator

The orbital angular momentum (OAM) of electron states is an essential ingredient for topological and quantum geometric quantities in solids. For example, Dirac surface states with helical spin- and orbital-angular momenta are a hallmark of a 3D topological insulator. Angle-resolved photoemission spectroscopy (ARPES) with variable circular light polarization, known as circular dichroism (CD), has been assumed to be a direct probe of OAM and, by proxy, of the Berry curvature of electronic bands in energy- and momentum-space. Indeed, topological surface states have been shown to exhibit angle-dependent CD (CDAD), and more broadly, CD is often interpreted as evidence of spin-orbit coupling. Meanwhile, it is well-established that CD originates from the photoemission matrix elements, which can have extrinsic contributions related to the experimental geometry and the inherently broken inversion symmetry at the sample surface. Therefore, it is important to broadly examine CD-ARPES to determine the scenarios in which it provides a robust probe of intrinsic material physics. We performed CD-ARPES on the canonical topological insulator $\mathrm{Bi}_2\mathrm{Se}_3$ over a wide range of incident photon energies. Not only do we observe angle-dependent CD in the surface states, as expected, but we also find CD of a similar magnitude in virtually all bulk bands. Since OAM is forbidden by inversion symmetry in the bulk, we conclude this originates from symmetry-breaking in the photoemission process. Comparison with theoretical calculations supports this view and suggests that $\textit{hidden}$ OAM - localized to atomic sites within each unit cell - contributes significantly. Additional effects, including inter-atomic interference and final-state resonances, are responsible for the rapid variation of the CDAD signal with photon energy.

FOS: Physical sciences↗
DOE OSTI2020

Secondary γ-ray decays from the partial-wave $\textit{T}$ matrix with an $\textit{R}$-matrix application to 15 N($p, α_1γ$) 12 C

The secondary γ rays emitted following a nuclear reaction are frequently relatively straightforward to detect experimentally. Despite the large volume of such data, a practical formalism for describing these γ rays in terms of partial-wave $\textit{T}$-matrix elements has never been given. The partial-wave formalism is applicable when $\textit{R}$-matrix methods are used to describe the reaction in question. This paper supplies the needed framework, and it is demonstrated by the application to the 15 N($p, α_1γ$) 12 C reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Developing an experimental-computational framework to investigate the deformation mechanisms and mechanical properties of Al-8Ce-10Mg alloys at micro and macroscales

There is a promising future for the use of aluminum-cerium-magnesium alloys in a broad range of applications, including devices that operate at high temperatures. With cerium currently considered a waste product of rare earth mining validation studies of possible applications are essential to reduce the environmental waste. Here, a computational-experimental framework is developed to investigate the role both the intermetallic and matrix have on the mechanical properties of these alloys. A set of experiments, including SEM/EBSD imaging, nanoindentation, in-situ SEM tensile testing, and in-situ SEM-DIC tests are performed to characterize the microstructure and mechanical properties of these alloys. Furthermore, the elastic, plastic, and failure deformation mechanisms of the microstructure, and their correlation with the bulk scale mechanical properties are investigated. Experimental results are also used to calibrate parameters for a crystal plasticity finite element model, by performing a computational framework that minimizes the error between the computational and experimental results. This model is then utilized to investigate how the area percentage of intermetallics and the crystallographic texture control the mechanical properties of the alloy. Simulation results show that an increase in the percentage of intermetallics increase the strength but decrease the ductility of the alloy. Also, a change in material texture improves strength and reduces damage that leads to material failure. The development of the crystal plasticity model, as discussed in this work, opens opportunities for future investigations of similar aluminum-cerium-magnesium alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characterization of shale using Helium and Argon at high pressures

In order to estimate the shale gas in place and the eventual recovery during shale gas operations, one of the key requirements is to accurately characterize the shale’s petrophysical and transport properties such as porosity, permeability, diffusivity, and storage capacity. Despite the many efforts reported in the technical literature aiming to provide an improved understanding of the complex pore structures and the associated fluid flow in gas shales, complete characterization of organic-rich shale samples still poses a big challenge. Here, we have characterized mass transfer and sorption in shale at different length scales using Helium (He) and Argon (Ar) as probe gases. Thermogravimetric analysis (TGA) with a shale cube of ~1 cm 3 in size and gas expansion experiments with a full-diameter core (3.5” in diameter) were used to measure sorption kinetics/isotherms and mass transfer, respectively. Both samples are from the same depth/location in the Marcellus shale formation. The TGA steady-state technique was initially used to generate excess sorption isotherms for Ar, while dynamic TGA experiments were used to study its sorption kinetics. The TGA experiments demonstrate that Ar, which has a similar sorption potential as Methane, but is generally assumed to be inert, adsorbs onto the surfaces of the mesoporous and microporous regions of the shale samples according to a Langmuir-type behavior. Helium expansion experiments, on the full-diameter core, were used to measure the overall porosity, on the basis that He is a non-sorbing and inert gas as compared to Ar. The He expansion experiments, furthermore, allow us to delineate the mass transfer of gas across the inherent hierarchy of pore sizes, including macropores (macro- and microcracks), mesopores and micropores. Similar expansion experiments were also performed with Ar to study the combined impact of mass transfer and sorption. A triple-porosity model (TPM) was utilized to interpret the He expansion experiments with the shale core and to extract (estimate) relevant transport parameters. We report and compare here the diffusivities and permeabilities of the whole core for both He and Ar, as calculated from the modeling and fitting of the experimental data. On the premise that the shale cube is representative of the matrix region of the core, the Ar sorption kinetics from the cube experiments were subsequently combined with the transport parameters extracted from the He experiments to predict the behavior of the Ar expansion test with the full-diameter core. An excellent agreement is observed between the model predictions and the experimental data. The experimental observations and their interpretation indicate that one must be cautious when using Ar to estimate the true porosity and permeability of shales. In addition, we demonstrate that He and Ar probe gases, when used in tandem, can be employed effectively as a tool to characterize shales in terms of mass transfer and sorption dynamics across scales.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2020

A thermodynamics-based damage model for the non-linear mechanical behavior of SiC/SiC ceramic matrix composites in irradiation and thermal environments

A damage model is developed and validated with experimental data for the non-linear mechanical behavior of SiC/SiC composite materials in nuclear applications. Cyclic thermal and mechanical loading associated with neutron irradiation effects of these composites leads to wide-spread and progressive micro-cracking that leads to loss of thermal conductivity and further enhancement of thermo-mechanical damage. A physics-based model of wide-spread micro-cracking is developed within the thermodynamic framework of continuum damage mechanics. Evolution equations for damage parameters that describe the growth of continuum damage are developed, where the material variables are obtained from experiments. The model novelty is in coupling mechanical, thermal, and irradiation damage through a consistent thermodynamic framework, including loss of thermal conductivity due to the evolution of mechanically induced micro-cracks. A number of thermo-mechanical experiments were conducted to confirm model assumptions. The model is shown to be validated with out-of-pile experiments, and then implemented using commercial finite element code COMSOL to the fuel cladding problem with normal and high radiation dose cases.

Materials Science↗
DOE OSTI2022

Probing oil recovery in shale nanopores with small-angle and ultra-small-angle neutron scattering

Increasing oil production from unconventional shale reservoirs is crucial to meet growing energy demands while achieving lower carbon emission than conventional crude oil. Enhanced oil recovery (EOR) has been proposed to improve hydrocarbon recovery rates through the injection of a fluid into the reservoir to facilitate residual oil release from the shale formation. However, economical and sustainable implementation of EOR requires advanced knowledge of fluid behavior in nano-sized pore spaces in shale. In this study, we utilize small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS) as experimental probes to examine decane removal from a shale nano- to micro-porous matrix, utilizing methane as the injectant. The extent of decane saturation and recovery post-methane pressurization is quantified for clay-rich and carbonate-rich shale samples. A key finding is that extraction of decane by methane on depressurization is related to the methane-decane critical point. Furthermore, we found that although clay-rich shale had a much higher porosity of 5.6%, compared with 1.2% for carbonate-rich shale, decane was more easily removed from the carbonate-rich matrix, leading to similar hydrocarbon yields. These promising results demonstrate the ability of SANS and USANS to provide key insights into oil recovery from nano- to micron-sized pores in shale matrices. Combined with effects of various fractures on fluid behavior in shale, this experimental technique can be used to assess the viability of EOR injectants.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2023

Impact of Limited Degree of Freedom Drag Coefficients on a Floating Offshore Wind Turbine Simulation

The worldwide effort to design and commission floating offshore wind turbines (FOWT) is motivating the need for reliable numerical models that adequately represent their physical behavior under realistic sea states. However, properly representing the hydrodynamic quadratic damping for FOWT remains uncertain, because of its dependency on the choice of drag coefficients (dimensionless or not). It is hypothesized that the limited degree of freedom (DoF) drag coefficient formulation that uses only translational drag coefficients causes mischaracterization of the rotational DoF drag, leading to underestimation of FOWT global loads, such as tower base fore-aft shear. To address these hydrodynamic modeling uncertainties, different quadratic drag models implemented in the open-source mid-fidelity simulation tool, OpenFAST, were investigated and compared with the experimental data from the Offshore Code Comparison Collaboration, Continued, with Correlation (OC5) project. The tower base fore-aft shear and up-wave mooring line tension were compared under an irregular wave loading condition to demonstrate the effects of the different damping models. Two types of hydrodynamic quadratic drag formulations were considered: (1) member-based dimensionless drag coefficients applied only at the translational DoF (namely limited-DoF drag model) and (2) quadratic drag matrix model (in dimensional form). Based on the results, the former consistently underestimated the 95th percentile peak loads and spectral responses when compared to the OC5 experimental data. In contrast, the drag matrix models reduced errors in estimates of the tower base shear peak load by 7–10% compared to the limited-DoF drag model. The underestimation in the tower base fore-aft shear was thus inferred be related to mischaracterization of the rotational pitch drag and the heave motion/drag by the limited-DoF model.

17 WIND ENERGY↗
DOE OSTI2024

Experimental investigation of probabilistic failure of SiC/SiC composite tubes under multiaxial loading

This paper presents an experimental investigation of the failure behavior of SiC fiber-reinforced SiC matrix (SiC/SiC) composite tubes under multiaxial loading. A new testing apparatus is designed to independently apply axial stress and internal pressure to SiC/SiC tubes. Acoustic emission (AE) is used to monitor the damage growth in the specimen. Based on the measured stress–strain response, a strain-based criterion is proposed to determine the proportional limit stress (PLS). The proposed strain-based criterion is compared with the PLS determined by the AE measurement. The PLS is determined for different loading ratios to form a multiaxial failure surface. By testing multiple replicates, the statistical variations of the PLS are determined. In conclusion, based on the experimental results, a mathematical model is developed to characterize the probability distribution of the PLS of SiC/SiC composites under multiaxial loading.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhanced Diffusive Transport in Fluctuating Porous Media

Mass transport within porous structures is a ubiquitous process in biological, geological, and technological systems. Despite the importance of these phenomena, there is no comprehensive theory that describes the complex and diverse transport behavior within porous environments. While the porous matrix itself is generally considered a static and passive participant, many porous environments are in fact dynamic, with fluctuating walls, pores that open and close, and dynamically changing cross-links. While diffusion has been measured in fluctuating structures, notably in model biological systems, it is rarely possible to isolate the effect of fluctuations because of the absence of control experiments involving an identical static counterpart, and it is generally impossible to observe the dynamics of the structure. In this paper, we present a direct comparison of the diffusion of nanoparticles of various sizes within a trackable, fluctuating porous matrix and a geometrically equivalent static matrix, in conditions spanning a range of regimes from obstructed to highly confined. The experimental system comprised a close-packed layer of colloidal spheres that were either immobilized to a planar surface or allowed to fluctuate locally, within the space defined by their nearest neighbors. Interestingly, the effective long-time diffusion coefficient was approximately 35–65% greater in the fluctuating porous matrix than in the static one (depending on the size of the nanoparticle probes), regardless of the geometric regime. This was explained by considering the enhancing effects of matrix fluctuations on the short-time diffusion coefficient and cooperative “gate-opening” motions of matrix particles and nanoparticle probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effect of Phosphorus Modulation in Iron Single‐Atom Catalysts for Peroxidase Mimicking

Abstract Fe–N–C single‐atom catalysts (SACs) exhibit excellent peroxidase (POD)‐like catalytic activity, owing to their well‐defined isolated iron active sites on the carbon substrate, which effectively mimic the structure of natural peroxidase's active center. To further meet the requirements of diverse biosensing applications, SAC POD‐like activity still needs to be continuously enhanced. Herein, a phosphorus (P) heteroatom is introduced to boost the POD‐like activity of Fe–N–C SACs. A 1D carbon nanowire (FeNCP/NW) catalyst with enriched Fe–N 4 active sites is designed and synthesized, and P atoms are doped in the carbon matrix to affect the Fe center through long‐range interaction. The experimental results show that the P‐doping process can boost the POD‐like activity more than the non‐P‐doped one, with excellent selectivity and stability. The mechanism analysis results show that the introduction of P into SAC can greatly enhance POD‐like activity initially, but its effect becomes insignificant with increasing amount of P. As a proof of concept, FeNCP/NW is employed in an enzyme cascade platform for highly sensitive colorimetric detection of the neurotransmitter acetylcholine.

Ding, Shichao↗
DOE OSTI2025

Strain-Based Assessment of Shale Caprock during Cyclic Underground Hydrogen Storage

Successful large-scale underground hydrogen storage (UHS) in depleted gas reservoirs depends on the integrity of the overlying caprock to prevent hydrogen loss during cyclic injection and depletion. Prior studies on crushed Marcellus shale, a potential caprock, indicate that cyclic hydrogen injection and depletion induces microstructural changes, increasing porosity and permeability. However, the extent of these changes in intact shale remains unclear. This study presents a strain-based experimental approach to quantify volumetric strain evolution in intact Marcellus shale matrix under unconstrained stress conditions. A quadrant-shaped shale sample without visible fractures underwent eight hydrostatic pore-pressure cycles (injection to 1500 psi and depletion to 500 psi in 250 psi steps). Linear strain gauges measured strain in three orthogonal directions. Results indicate progressive plastic strain accumulation, leading to an ∼12% increase in matrix porosity after eight cycles, with an estimated 19% increase after 30 cycles. This porosity increase follows a logarithmic trend, suggesting a diminishing effect in later cycles. Additionally, permeability and diffusive mass flux are projected to rise by ∼70% over 30 cycles, enhancing hydrogen migration risk. The shale matrix also exhibited mechanical stiffening over successive cycles, limiting large-scale deformation but not preventing porosity enhancement. A new parameter, α, was introduced to characterize shale sensitivity to cyclic loading, aiding UHS caprock assessments. These findings underscore the necessity of incorporating cyclic loading effects in UHS site selection and operational strategies to ensure long-term storage integrity.

08 HYDROGEN↗