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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Moiré Exchange Effect in Twisted WSe 2 /WS 2 Heterobilayer

Moiré superlattices of layered transition metal dichalcogenides are proven to host periodic electron crystals due to strong correlation effects. These electron crystals can also be intertwined with intricate magnetic phenomena. Here, in this Letter, we present our findings on the moiré exchange effect, resulting from the modulation of local magnetic moments by electron crystals within well-aligned WSe 2 /WS 2 heterobilayers. Employing polarization-resolved magneto-optical spectroscopy, we unveil a high-energy excitonic resonance near one hole per moiré unit cell (v=–1), which possesses a giant g factor several times greater than the already very large g factor of the WSe 2 A exciton in this heterostructure. Supported by continuum model calculations, these high-energy states are found to be dark excitons brightened through Umklapp scattering from the moiré mini-Brillouin zone. When the carriers form a Mott insulating state near v=–1, the Coulomb exchange between doped carriers and excitons forms an effective magnetic field with moiré periodicity. This moiré exchange effect gives rise to the observed giant g factor for the excitonic Umklapp state.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anharmonic phonons, thermal expansion, and nuclear quantum effects in Zn

The anharmonic behavior of phonons and thermal expansion of hexagonal zinc were studied from 15 to 690 K by inelastic neutron scattering (INS) and ab initio simulations. Phonon spectra were measured for Q-points covering the full Brillouin zone, giving the phonon density of states (DOS) and dispersions along high-symmetry directions. The dispersions were sharp at 15 K, but diffuse intensity was observed at energies above them. The dispersions broadened with temperature T and the diffuse intensity became stronger. This diffuse intensity appeared in all INS measurements and simulations, except for classical molecular dynamics at 15 K. The temperature-dependent effective potential (TDEP) method, which included the nuclear quantum effect from zero-point vibrational dynamics, was used to calculate the free energy and thermal expansion. For T < 100 K nuclear quantum effects were important for obtaining the correct negative thermal expansion, and path integral molecular dynamics (PIMD) was particularly effective for obtaining the negative thermal expansion in the basal plane. A Heisenberg-Langevin model for interacting phonons coupled to a thermal bath was able to reproduce the shape and intensity of the diffuse spectral features.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Evidence of Chiral Fermion Edge Modes through Geometric Engineering of Thermal Hall Effect in 𝛼−RuCl 3

The experimental observation of half-integer-quantized thermal Hall conductivity in the Kitaev candidate material α-RuCl 3 has served as a signature of non-Abelian anyons through an associated chiral Majorana edge mode. However, both the reproducibility of the quantized thermal Hall conductivity and the fundamental nature of the associated heat carriers, whether bosonic or fermionic, are subjects of ongoing and vigorous debate. In a recent theoretical work, it was proposed that varying the sample geometry through creating constrictions can distinguish between different origins of the thermal Hall effect in magnetic insulators. Here, in this study, we provide experimental evidence of chiral fermion edge modes by comparing the thermal Hall effect of a geometrically constricted α-RuCl 3 sample with that of an unconstricted sample. In contrast to the unconstricted crystals where the thermal Hall signal fades below 5 K, the constricted crystals display a significant thermal Hall signal that remains measurable even at 2 K. This sharp difference agrees well with the theoretical prediction and provides compelling evidence for the contribution of chiral fermion edge modes to the thermal Hall effect in α-RuCl 3 . More broadly, this work confirms that the geometry dependence of the thermal Hall effect can help identify chiral spin liquids in candidate materials like α-RuCl 3 and paves the way for the experimental realization of thermal anyon interferometry.

Zhang, Heda [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2025

Mapping the gas density with the kinematic Sunyaev-Zel’dovich and patchy screening effects: A self-consistent comparison

The secondary anisotropies of the cosmic microwave background (CMB) provide a wealth of astrophysical and cosmological information. Pairing measurements of the CMB temperature map obtained by DR5 of the Atacama Cosmology Telescope (ACT) with the imaging survey conducted by the Dark Energy Spectroscopic Instrument for the purposes of target selection, DECaLS DR9, we investigate two effects that are sensitive to the gas density 𝜏: kinematic Sunyaev-Zel’dovich (kSZ) and patchy screening or anisotropic screening (resulting from the Thomson scattering of CMB photons away from the line-of-sight by free electrons). In particular, we measure the stacked profiles of the gas density around luminous red galaxies (LRGs) at a mean redshift of 𝑧 ≈ 0.7. We detect the kSZ signal at 7.2⁢𝜎, and we find a signal at ∼ 4.1⁢𝜎 for the patchy screening estimator, which is in excess relative to the kSZ signal. We attribute this excess to contamination from CMB lensing. Here, we demonstrate the effect of lensing using 𝑁-body simulations, and we show that the screening signal is dominated by it. Accounting for lensing, our measurement places a 95% upper bound on the optical depth of the Extended DESI LRG sample of 𝜏 < 2.5 10 −4 for a mean value of the sample of 𝜏 ≈ 1.6 10 −4 . Furthermore, via hydro simulations, we show that the underlying optical depth signal measured by both effects (after removing the CMB lensing contribution) is in perfect agreement when adopting either a compensated aperture photometry (CAP) filter or a high-pass filter. Consistent with previous measurements, we see evidence for excess baryonic feedback around DESI LRGs in the patchy screening measurement. In the future, when both effects can be measured with high signal-to-noise, one can measure the amplitude ratio between them, which is proportional to the root-mean-square velocity of the host halo sample, and even place constraints on velocity-sensitive models such as modified gravity and phantom dark energy.

Astrophysical & cosmological simulations↗
DOE OSTI2025

Selection-bias effects on high-𝑝 𝑇 yield and correlation measurements in oxygen + oxygen collisions

Oxygen + oxygen (O+O) collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC) offer a unique experimental opportunity to observe the onset of jet quenching in intermediate relativistic collision systems. As with the smaller proton-nucleus or larger nucleus-nucleus systems, measurements of centrality-selected high-𝑝 T processes in O+O collisions are expected to be sensitive to selection bias effects, which will be necessary to quantify or mitigate before a definitive conclusion on the presence of jet quenching. Using two Monte Carlo heavy-ion event generators, we provide a survey of centrality bias effects on high-𝑝 T yield and correlation measurements. Some highlights of our findings include that (1) bias factors for the accessible kinematic range at RHIC show a nontrivial 𝑝 T dependence, compared to a negligible one at the LHC given the smaller accessible Bjorken-𝑥 range, (2) centrality definitions based on multiplicity are less sensitive to bias effects than those based on the transverse energy, (3) the Angantyr generator gives qualitatively similar but larger-magnitude bias factors than Hijing, and (4) correlation measurements have a much smaller sensitivity to bias effects than do yield measurements. Furthermore, the findings here are intended to guide the experimental design and interpretation of O+O jet quenching and other hard-process measurements.

Hard scattering↗
DOE OSTI2025

Kerr effective black hole geometries in supergravity

We derive the explicit embedding of the effective Kerr spacetimes, which are pertinent to the vanishing of static Love numbers, soft hair descriptions of Kerr black holes, and low-frequency scalar-Kerr scattering amplitudes, as solutions within 𝑁 = 2 supergravity. These spacetimes exhibit a hidden 𝑆⁢𝐿⁡(2,𝑅) × 𝑈⁡(1) or 𝑆⁢𝑂⁡(4,2) symmetry resembling the so called subtracted geometries with 𝑆⁢𝐿⁡(2,𝑅) × 𝑆⁢𝐿⁡(2,𝑅) symmetry, which accurately represent the near-horizon geometry of Kerr black holes and, as we will argue most accurately represents the internal structure of the Kerr black hole. To quantify the differences among the effective Kerr spacetimes, we compare their physical quantities, internal structures, and geodesic equations. Although their thermodynamic properties, including entropy, match those of Kerr, our study uncovers significant differences in the interiors of these effective Kerr solutions. A careful examination of the internal structure of the spacetimes highlights the distinctions between various effective Kerr geometries and their quasinormal spectra.

quantum aspects of black holes↗
DOE OSTI2024

Effects of Aluminum Plate Initial Residual Stress on Machined-Part Distortion

Dimensional tolerances for high-speed-machined aluminum products continue to tighten due to the demand for automated assembly of complex monolithic parts in aerospace and other industries. Understanding the contribution of inherent residual stress in wrought Al 7050-T7451 plate, common in aircraft manufacture, to distortion of high-aspect-ratio machined parts is critical but remains problematic due to the alloy's low residual stress magnitude over large geometries. Prior investigations into residual stress effects on machined part distortion suffer inadequate characterizations of the wrought material stress field, either because of low fidelity due to “slitting” methods, confounding effects in machined-layer removal methods, or small sample size when using neutron diffraction (ND). In this work, inherent residual stress is measured via ND at 860 locations in a 90.5 mm thick Al 7050-T7451 plate having dimensions 399 mm in the rolling direction and 335 mm in the transverse direction. Unlike prior studies, the ND residual stress is reconstructed using an iterative algorithm to ensure fully compatible, equilibrated 3D field prior to examining its effect on distortion. Further, the findings from simulations and experiments show that inherent residual stress alone could distort a high-aspect-ratio part beyond aerospace industry requirements, that slitting measurements may not sufficiently characterize residual stress for predicted distortion, and that parts machined from different plate thickness locations could exhibit reversed distortion patterns. Thus, research into distortion prediction that considers machining should carefully characterize and reconstruct inherent residual stress so that the coupled machining effects are accurately modeled.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Experimental and statistical study on the effect of process parameters on the quality of continuous fiber composites made via additive manufacturing

Ongoing research in additive manufacturing towards structural and industrial application has led to the use of commingled roving as a manufacturing feedstock for printing high fiber volume fraction composites. The prospects of using this technology for high performance applications necessitates the need for a comprehensive experimental investigation into the effects of processing parameters on the quality of an additively manufactured composite printed from commingled roving feedstock. Here, in this work, transverse flexure and void fraction matrix pyrolysis testing are both performed to evaluate composite quality. The transverse flexure test is a testing approach that evaluates the quality of the interfacial fiber-matrix bond while the void fraction test estimates the void content in the printed composite. A full observational study consisting of 27 different test combinations is done to investigate the effects of three different process parameters namely, temperature, pressure, and print speed across three different levels. Composite samples were made from commingled roving of E-glass and amorphous PET using an in-house built continuous fiber composite digital manufacturing system. Least squares regression analysis is performed to study the main, interaction and quadratic effects of process parameters. A statistical regression model having an R2 adjusted value of 80.1% is generated from the transverse flexure study, which is used to explain main and interaction effects and also predict performance. Response surface plots are also generated and are used to optimize process parameters which can subsequently be of help in scaling up composite manufacturing. Results show that all three process parameters are highly statistically significant at the 0.01 level of significance. Pressure * Temperature and Pressure * Printspeed are significant interaction terms. Pressure plays a weightier role when print speed is increased or temperature is decreased as it closes more voids that would ordinarily have been introduced because of drop in polymer melt viscosity. Micrographic analysis is also performed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Insights into Designing an Efficient and Reliable Microwave-Assisted Methane Dehydroaromatization Process: Effect of Microwave Absorber on Catalyst Performance

Microwave-assisted methane dehydroaromatization has the potential to address challenges of traditional dehydroaromatization reactions. However, catalysts for microwave-enhanced reaction systems require effective coupling of fields with the catalyst to produce heat and reach reaction temperatures. Here, this work presents an in-depth understanding of the effect of the addition of silicon carbide as a microwave absorber on catalyst performance among other variables, the viability of the microwave reactor configuration, and insights into designing an effective and reliable microwave-based methane dehydroaromatization process. The effect of other parameters including temperature, weight hourly space velocity, role of microwave absorber, and methane concentration during microwave-assisted methane dehydroaromatization reaction are studied. Mo/ZSM-5 was found to suffer from low permittivity and nonuniform heating under microwave conditions. Mixing silicon carbide powder as a microwave absorber with the catalyst was found to provide more uniform heating. When assessing the catalytic performance of the mixture, it was found that higher methane partial pressures at 2000 cc/g cat .h and a temperature range of 500-600°C produced the highest amount of benzene. The formation of graphitic carbon on the spent catalyst increased with temperature, gas-solid contact period, and methane concentration, which resulted in higher methane conversion and benzene selectivity. The study indicates that under microwave heating the presence of localized carbon enhanced catalyst life by coupling with microwave energy, leading to localized heating, and improving benzene selectivity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Effect of Sample Thickness on the Tensile Strength of Small Graphite Discs

This report formally documents the completion of the Advanced Reactor Technologies (ART) Level 3 Milestone (M3TG-24OR0501054), “Continue activities related to Split Disc-DIC - complete analysis of effect of sample thickness on one fine grain graphite,” due May 31, 2024. Details within this report outline the status of activities aimed at elucidating the effect of sample thickness on the tensile strength measurement using the small-disc, split-disc testing standard in support of the US Department of Energy’s ART Graphite R&D Program. The ASTM D8289, Standard Test Method for Tensile Strength Estimate by Disc Compression of Manufactured Graphite, was developed to provide an alternative means for testing tensile strength on smaller specimens, which are compatible with available irradiation capsule volumes, and other compatibility measurements. ASTM D8289 specifies that acceptable specimen diameter can range from 6 to 12.7 mm and that the maximum allowed sample thickness should be half of the diameter. However, information is limited with respect to the effect of thickness on the measured splitting tensile strength. This report documents efforts to understand the effect of sample thickness on splitting tensile strength. The work involved testing Ø12.7 mm samples of fine-grain graphites 2114 and IG-110 of different thicknesses (6.35, 5, 4, and 3 mm). The digital image correlation (DIC) method was applied to the samples, along with the ASTM D8289 Standard, to help interpret the measured results.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Bayesian Analysis of TRISO Fuel: Quantifying Model Inadequacy, Incorporating Lower-Length-Scale Effects, and Developing Parallel Active Learning Capabilities

The U.S. Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel-cycle systems. This program has been providing engineering-scale support for the continued development of BISON, a high-fidelity, high-resolution fuel performance tool. Fuel behavior in nuclear reactors is governed by a complex network of mechanisms that interact with various other physics aspects in the reactor system. Any model developed to represent fuel behavior will likely be idealized, resulting in uncertainties when comparing their predictions against the observed data. In Fiscal Year (FY)-23, we initiated the Uncertainty Quantification (UQ) work by using Bayesian methods to establish a level of model trustworthiness and further improve it, with a particular emphasis on TRI-Structural isOtropic (TRISO) nuclear fuel. This year, we further expanded on that UQ work by investigating an approach to quantifying model inadequacy and accounting for lower-length scale (LLS) effects in TRISO silver (Ag) release modeling. Furthermore, we are implementing parallel active learning capabilities to reduce the computational cost (i.e., required computational resources and elapsed time) of performing UQ. Specifically, we utilized The Kennedy O’Hagan framework for Bayesian uncertainty quantification (KOH) to account for model inadequacy in TRISO Ag release predictions made by BISON. The KOH framework represents an improvement over the standard Bayesian framework used in FY-23. Explicitly accounting for model inadequacy in the Bayesian framework helps establish the level of experimental noise uncertainty in the Advanced Gas Reactor (AGR) data. We compared the inverse UQ results obtained from both the standard Bayesian and KOH frameworks in light of the AGR-2/3/4 data, and also compared the predictive UQ results obtained from these two frameworks in light of the AGR-1 data. Next, we investigated the impact of considering LLS effects in the Ag release simulations. We developed an expanded database of LLS simulated effective diffusivities for Ag, covering a wide range of microstructures and temperatures. Using this database, we developed a framework for incorporating LLS effects into the engineering-scale Ag release UQ. We developed both parametric and non-parametric approaches for bridging the length scales. We then investigated the inverse UQ results in light of the AGR-2/3/4 data and the predictive UQ results in light of the AGR-1 data, and compared the LLS-informed approach and the Arrhenius equation, which does not include microstructure information. Finally, we discussed implementing parallel active learning capabilities in the Multiphysics Object Oriented Simulation Environment (MOOSE)/BISON to reduce the computational cost (i.e., computational resources and elapsed time) of Bayesian UQ. For verification purposes, we first tested these new capabil ities on a species interaction problem. We then demonstrated them on the TRISO Ag release application, showing that parallel active learning capabilities can enhance the accuracy of UQ while also substantially reducing the computational cost in comparison to the reference methods developed in FY-23.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

OES-Environmental 2024 State of the Science Report: Environmental Effects of Marine Renewable Energy Development Around the World

This report summarizes the state of the science of environmental effects of marine renewable energy (MRE) and serves as an update and a complement to the 2020 State of the Science report. The 2024 State of the Science report was produced by the Ocean Energy Systems (OES)-Environmental initiative, under the International Energy Agency’s OES collaboration. Under OES-Environmental, 16 countries have collaborated to evaluate the “state of the science” of potential environmental effects of MRE development and to understand how they may affect consenting/permitting (hereafter consenting) of MRE devices. This report has brought together the most up-to-date information on potential environmental effects of MRE development, using information that is publicly available as well as from expert inputs. The OES-Environmental analysts from the 16 participating countries helped to scope the entirety of the report and provided valuable contributions to all chapters. The input from these contributors and reviewers has resulted in the most complete compendium of research and monitoring findings possible. This report encompasses an introduction and look ahead, as well as nine chapters that provide details of research and monitoring findings around the world on environmental effects of MRE.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Evaluating the Effectiveness of a Detection and Deterrent System in Reducing Golden Eagle Fatalities at Operational Wind Facilities

The Renewable Energy Wildlife Institute (REWI) was appointed as the prime awardee of DOE award number DE-EE0007883 to lead a team of scientists, wind developers, and technology manufacturers toward the overarching goal of evaluating the effectiveness of the current DTBird system in minimizing the risk of golden eagles (Aquila chrysaetos) and other large soaring raptors from approaching the rotor-swept zone (RSZ) of operating wind turbines. As part of this goal, the team set out to 1) quantify the expected reduction in collision risk for golden eagles from operation of the detection and deterrence modules in a manner that supports the approach used by the U.S. Fish and Wildlife Service (USFWS) to assess and credit facility operators for their efforts to minimize predicted collision fatalities and 2) provide information to help improve the technology to maximize its effectiveness. DTBird is an automated detection and audio deterrent system created by the Spanish company Liquen, designed to discourage birds from entering the RSZ of spinning wind turbines. The system uses cameras to automatically detect airborne targets of interest, records each such event in an online database, and triggers a warning signal (loud sound) if the tracked object has moved close to the turbine. If the object moves even closer to the RSZ, a more aggressive dissuasion signal is broadcast. To meet our objectives, the team conducted a two-year experiment at the Goodnoe Hills wind facility in Washington state, in which 14 turbines were outfitted with DTBird units. Daily, each DTBird-equipped turbine was randomly assigned to a control or treatment group. Treatment turbines operated with DTBird running as intended—broadcasting warning or deterrent signals when DTBird detected a target within range. On control turbines, no sound signals were broadcast if a moving target triggered the DTBird system. The team also flew unmanned aerial vehicles (UAVs) designed to coarsely mimic the general size, weight, and coloration of golden eagles in programmed flight transects across DTBird detection ranges to quantify DTBird’s ability to detect intended targets and to evaluate factors that influence the probability of detection and DTBird’s response distances. Additionally, the team evaluated the behavioral responses of in situ eagles exposed to spinning turbines alone (visual and sound influences) versus spinning turbines plus broadcasted DTBird audio deterrents, to estimate the effectiveness of deterrence by the DTBird system. The data and results from these investigations were combined with those from a pilot study conducted at the Manzana Wind Power Project in California to better evaluate DTBird’s effectiveness across different landscapes.

17 WIND ENERGY↗
DOE OSTI2024

Baselining the Indirect Effect by Improving Quantification of Sea Spray and Marine Sources at Ascension Island (Final Report)

Oceans cover two-thirds of the Earth and understanding the interactions of aerosols with clouds in these large marine regions requires quantifying the man-made contributions to the budget of cloud-drop forming particles (known as cloud condensation nuclei, or CCN) relative to the non-manmade “baseline” conditions and understanding the meteorology of boundary layer clouds. Modeling studies have shown substantial uncertainties and sensitivities to natural marine CCN sources, meaning that to reduce uncertainties in indirect effects we must be able to better quantify the CCN budget in ocean regions. While models provide important constraints on these uncertainties, actually reducing uncertainties requires substantial observations in open-ocean and coastal regions in order to establish the baseline on which manmade emissions are added. The tropical South Atlantic Ocean is one of the least-sampled regions of the planet, making the comprehensive measurements of the Department of Energy Atmospheric Radiation Measurement Layered Atlantic Smoke Interactions with Clouds (LASIC) campaign provides the longest record of aerosol size distribution measurements from a differential mobility analyzer in a cloud-influenced marine location in the ARM database, with 17 months of ground-based aerosol size distribution measurements. This project addressed the research topic of Aerosol-Cloud Interactions (ACI) by supporting three publications from the LASIC measurements: 1. The ARM measurements were combined with a new value-added technique that was pioneered by the Russell group for quantifying sea salt. This quantification of sea salt uses supermicron scattering measurements for retrieving reasonable sea spray mass concentrations, providing the best-available, observationally-constrained estimate of the sea spray mode properties when supermicron size distribution measurements are not available. 2. The fitted modes of the distribution were used to investigate the signatures of cloud processing for very clean to very smoky aerosol conditions, revealing not only differences in the particles that activate in clouds but also in the mechanisms that control that droplet formation process. In clean air, the size required to form a cloud droplet is influenced by the number of particles, as well as how quickly particles take up water during growth in cloud. 3. Building on this aerosol characterization, cloud and meteorological conditions were used to evaluate aerosol-related changes in cloud albedo and optical depth. We introduced a new method of decomposing the impact of aerosols on clouds known as the Twomey effect by incorporating retrieved supersaturation from two independent sets of observations to constrain the feedback of aerosol particles on cloud properties. The method quantifies the reduction of the Twomey effect at high aerosol concentrations, which has never been explained quantitatively by observations. In addition, the results provide the first direct validation for the conditions observed in the tropical South Atlantic of a parcel-based approach that is embedded in many climate models. Together these findings illustrate how ARM extended field campaigns in stratocumulus-covered regions can be used to constrain ACI processes with direct observations, providing specific radiative effects without models. By making such process-specific constraints available to improve ACI in global climate models, ARM observations play a key role in supporting model development.

58 GEOSCIENCES↗
DOE OSTI2024

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium fa values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9 .3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-I and Table ES-2, respectively. The experimental study, with four test conditions in triplicate, was performed in a dual glovebox with a nominally 3 vol.% H 2 in argon atmosphere (target H 2 range: 3 ± I vol.%). Simulants containing MgO only ( experimental control) and MgO+Fe 0 (WIPP base case) were prepared for both the Salado and Castile brines. MgO was included in all simulants to account for the use of bulk magnesium oxide in the WIPP repository. Fe 0 was included in some simulants to incorporate the effects of the anoxic corrosion of iron and in-situ hydrogen generation in the study. The brine compositions were developed by Sandia National Laboratory (SNL; Xiong, 2008) and have been used in previous WIPP evaluations. The test method (agitation, etc.) is partially based on ASTM D3987-12. Twelve rounds of periodic measurements of pH and E h were performed over the course of the study. Chemical analysis results for liquids and solids (ICP-MS, ICP-ES, IC Anion, TIC, SEM-EDX) are consistent with the pH, E h , and thermodynamic modeling results. This study included the following conditions that deviate from anticipated post-closure conditions following brine intrusion, but were selected to facilitate bench-scale testing to validate modeling of pH and E h for the post-closure WIP P repository: an anoxic glove box atmosphere containing ≤ 4 vol. % H 2 vs. substantially higher H 2 gas concentrations assumed in the WIPP Performance Assessment (PA); a significantly higher liquid-to-solid test ratio compared to the much lower phase ratio anticipated in the WIP P repository; agitation of the simulant bottles to maximize mass transfer; and finally the use of Fe 0 reagents having a much greater surface area than expected in the WIP P repository. Non-representative conditions were chosen for various reasons such as: to provide bounding conservative results, to provide a margin of safety for testing, or to facilitate simulant sub-sampling and analysis. In a parallel effort, aqueous electrolyte thermodynamic models were developed for the synthetic Salado and Castile brines to inform the experimental design, facilitate laboratory data interpretation, and allow extension of evaluations beyond the parameters tested. Thermodynamic modeling simulations including the MgO and Fe 0 additives that are directly relevant to the experimental measurements (e.g., pH calibration curve, ORP corrections) are included in this report. The measured fa of the simulants was close to the OLI model predictions for both brines and was largely controlled by the background H 2 partial pressure in the vapor phase as well as H 2 generated in situ in the aqueous phase by the Fe 0 corrosion. The H 2 gas-phase concentration tested and thermodynamically evaluated was much lower than is assumed in the WIPP PA; however, H 2 (g) concentrations significantly below this level are still predicted to result in very reducing conditions. In conclusion: • The experimental results are consistent with thermodynamic model predictions for fa, pH, and the effects of high ionic strength. • Evidence to date suggests that the H2 concentration in the glovebox atmosphere ultimately determined the final E h values of the simulants and resulted in highly reducing conditions. As a result, little difference was observed between the control simulants containing only MgO and the WIPP base-case simulants that contained MgO and Fe 0 . • This test methodology is recommended for future studies evaluating WIPP repository conditions. The methodology includes: (1) background H 2 in argon with agitation ( or could alternatively include in-situ-generated H 2 in sealed bottles); (2) carefully measured and corrected ORP data ( with much effort focused on allowing the probes to fully stabilize); and (3) ionic-strength-corrected pH data. Other best practices, such as simulant sparging/handling, ORP probe replacement, etc., should also be considered. • The coupling of experimental studies and thermodynamic modeling is also highly recommended because these methods inform and direct one another leading to greater confidence in and understanding of the results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

WHOLESCALE - Water & Hole Observations Leverage Effective Stress Calculations And Lessen Expenses (Final Technical Report 2020 - 2024)

The WHOLESCALE acronym stands for Water & Hole Observations Leverage Effective Stress Calculations and Lessen Expenses. The goal of the WHOLESCALE project is to simulate the spatial distribution and temporal evolution of stress in the geothermal system at San Emidio in Nevada, United States. To reach this goal, the WHOLESCALE team has developed a methodology to incorporate and interpret data from four methods of measurement into a multi-physics model that couples thermal, hydrological, and mechanical (T H-M) processes. The WHOLESCALE team has applied this methodology at the San Emidio geothermal field, located ~100 km north of Reno, Nevada in the northwestern Basin and Range province. The WHOLESCALE team includes 30 individuals working at two universities, two national laboratories, and one industry partner. Two master-degree students and five post-doctoral researchers have gained professional experience and earned partial financial support via the WHOLESCALE project. The WHOLESCALE team has taken advantage of the perturbations created by changes in pumping operations during planned shutdowns in 2016, 2021, and 2022 to infer temporal changes in the state of stress in the geothermal system at San Emidio, Nevada, U.S. The WHOLESCALE results support the working hypothesis that increasing pore-fluid pressure reduces the effective normal stress acting across fault zones. During normal operations, pumping in deep production wells decreases fluid pressures and thus increases the effective normal stresses on faults, reducing microseismicity. During planned shutdowns, the cessation of production increases pore-fluid pressure and reduces effective normal stress. The WHOLESCALE products generated during the 4-year period between 2020 and 2024 include: three articles published in the open-access, peer-reviewed scientific literature, two master’s theses, 20 presentations or papers at scientific conferences, and 17 data sets available on public repositories. The WHOLESCALE project has been completed in two phases that included three performance periods separated by two Go/No-go Stage Gate Reviews. Tasks were classified by data type (i.e., Geologic Structure, Borehole, Geodesy, Hydrology, Seismology, and Modeling). The first phase of the project started July 31, 2020 and included ongoing project coordination (Task 1), a project kickoff (Task 2), analysis of existing data (Task 3), development of the initial stress model & deployment design (Task 4), and Go/No-go Decision Point #1 (Task 5). Phase II began with implementing the 2022 deployment (Task 6), followed by Go/No-go Decision Point #2 (Task 7) The remainder of Phase II consisted of analyzing data collected during deployment (Task 8), calibration of the stress model on all observations (Task 9), and the Final Review (August 23, 2024) & Reporting (Task 10).

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Design Report on the MiniFuel Instrumented Test Apparatus for Understanding Radiation Effects

Most nuclear fuels irradiations at Oak Ridge National Laboratory (ORNL) over the past decade have been conducted using MiniFuel—a static capsule design employing subscale fuel specimens to collect separate-effects irradiated fuel performance data. Irradiation conditions for MiniFuel experiments are predicted pre-test using reactor physics, and thermal models are verified post-irradiation via SiC dilatometry and various spectrometry methods. Relevant fuel performance parameters are also observed post-irradiation in a hot cell, thereby providing a single data point for each parameter representing the cumulative effects of the irradiation conditions. Substantially more data can be harvested from a single test and within a shorter duration by instrumenting irradiation vehicles and measuring desired quantities in situ. This report presents the design and analysis of the MiniFuel INstrumented Irradiation Test Apparatus for Understanding Radiation Effects (MINITAURE)—an instrumented test rig based on the separate-effects MiniFuel concept that aims to capture fission gas release (FGR) and thermal conductivity degradation of fuel specimens during irradiation in the High Flux Isotope Reactor (HFIR). MINITAURE will be integrated with the Materials Irradiation Facility (MIF) located in the HFIR building outside the reactor containment. The MIF will act as the instrumentation and control center for the experiment, enabling real-time feedback from in situ sensors and control of irradiation temperatures via a gas delivery system. Two unique capsule designs were developed to capture each phenomenon: the thermal conductivity capsule, which uses a thermopile method to estimate fuel specimen thermal conductivity, and the fission gas release capsule, which will have continuous flowing gas communication to high-purity germanium detectors that are housed in the MIF for monitoring FGR. This report details the reactor physics and heat transfer modeling activities that were used to inform the experiment design and predict capsule performance. It also describes out-of-pile activities conducted to stand up this new capability and verify the measurement techniques. Modeling efforts to date have demonstrated the feasibility of the in situ measurement techniques and supported the development of the MINITAURE assembly configuration. Out-of-pile testing of the thermal conductivity measurement shows promise in capturing relative changes in thermal conductivity. However, significant errors exist in the measured absolute value, posing a need for further refinement.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Effect of in utero and lactational exposure to antiretroviral therapy on the gut microbial composition and metabolic function in aged rat offspring

Despite the highly effective impact of antiretroviral therapy (ART) in reducing mother-to-child transmission of human immunodeficiency virus (HIV), there are concerns of long-term impacts of ART on the health of the offspring. The implications of perinatal exposure to antiviral drugs on the gut bacterial population and metabolic function in the offspring is unclear but may influence health outcomes given the various reported effects of the microbiome in human health. This study aims to gain insight into the potential effect ofin uteroand lactational exposure to ART on gut microbiota populations and short‐chain fatty acids (SCFAs) production in aged rat offspring. Pregnant rats were administered a combination of antiretroviral drugs (abacavir/dolutegravir/lamivudine) at two different dose levels during gestation and throughout lactation, and the fecal bacterial abundance and SCFA levels of the offspring were analyzed when they reached 12 months of age. Our results showed dose-dependent and sex-based differences in fecal microbial abundance at various taxonomic levels. Specifically, we found a decline inFirmicutesin males, and an increase inActinobacteriaamong males and females. Furthermore, a sex-specific distribution reorganization ofLactobacillus,Bifidobacterium, andAkkermansiawas identified. No significant difference in the concentration of prominent SCFAs and IgA levels were identified. These findings provide preliminary information indicating the need to evaluate perinatal effects of ART more comprehensively on the gut bacterial and metabolic function in future studies, and their potential role in offspring health outcomes.

Research & Experimental Medicine↗