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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Interpretation of electromagnetic modes in the sub-TAE frequency range in JET plasmas with elevated monotonic q-profiles

Recent JET deuterium experiments with an advanced tokamak scenario using an internal transport barrier (ITB) have been performed to clearly observe destabilized toroidicity-induced Alfvén eigenmodes (TAEs) by fast ions; interestingly, these also exhibit unstable electromagnetic (EM) perturbations in the sub-TAE frequency range. We identify such EM perturbations to be beta-induced ion temperature gradient (BTG) eigenmodes and not beta-induced Alfvén eigenmodes nor beta-induced Alfvén acoustic eigenmodes, which are often unstable in such high-beta plasmas with high-power neutral beam injection (NBI). The BTG modes are the most unstable modes due to the high thermal ion temperature gradient related to the ITB, high thermal ion temperature compared to thermal electron temperature (high T i /T⁠ e ), and a high ion beta regime. BTG mode experimental characteristics match the analytical theory, i.e., location in the vicinity of a rational magnetic surface with a low magnetic shear, mode frequency scaling with the ion diamagnetic frequency (⁠ω$^*_i$⁠), and a coupling among Alfvén and drift waves. We also perform linear gyrokinetic simulations with validated plasma profiles and equilibrium, and find a mode kinetically driven by thermal ions with similar characteristics as the experimental BTG modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

The Linear Point Standard Ruler with DESI DR1 and DR2 Data

The linear point, a purely geometric feature in the monopole of the two-point correlation function, has been proposed as an alternative standard ruler. Compared to the peak in the correlation function, it is more robust to late-time nonlinear effects at the percent level. In light of improved simulations and high quality data, we revisit the robustness of the linear point and use it as an alternative to template-based fitting approaches typically used in BAO analyses. We present the linear point measurements on galaxy samples from the first and second data releases (DR1 and DR2) of the DESI survey. We convert the linear point into a dimensionless parameter $α_{iso,LP}$, defined as the ratio of the linear point in the fiducial cosmology and the observed value, analogous to the isotropic BAO scaling parameter $α_{iso}$ used in previous BAO measurements. Using the 2nd generation of AbacusSummit mock catalogs, we find that linear point measurements are more precise when calculated in the post-reconstruction regime with 15-60% smaller uncertainties than those pre-reconstruction. We find a systematic shift in the linear point measurements compared against the isotropic BAO measurements in mocks; we attribute this to the isotropic damping parameter responsible for smearing the linear point in the nonlinear regime. We propose a sample-dependent correction that mitigates the impact of late-time nonlinear effects. While this introduces a cosmology dependence in an otherwise model-independent measurement, this is necessary given the sub-percent precision dictated by current cosmological surveys. Comparing $α_{iso,LP}$ with isotropic BAO measurements made on the DESI DR1 and DR2 galaxy samples, we find excellent agreement after applying this correction, particularly post-reconstruction. We discuss future scope regarding cosmological inference with linear point measurements.

Uberoi, N. [Yale U.] (ORCID:0000000275179629)↗
DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Next Generation Solid Oxide Fuel Cell Module Development

The overall objective of this project was to develop a transformative Solid Oxide Fuel Cell (SOFC) building block configuration comprised of multi-stack arrays that can be utilized in large-scale power plants. This transformative design signified the benefits of lower performance degradation coupled with improved reliability, low cost, smaller packaging for easier transport and installation, and improved maintenance and field serviceability characteristics. The project goal was to design and fabricate a scalable hot module for housing an array of SOFC stacks and to demonstrate the characteristics of the module gas distribution, insulation and instrumentation, and DC power take-off. The approach was to validate the design of a stack prototype scalable to megawatt (MW) class systems using FuelCell Energy’s Compact SOFC Architecture (CSA) stacks. The scope of work was intended to design, build, and test a compact and low-cost multi-stack sub-module with flexibility to house CSA stacks and scalable to 350 kW which could ultimately be deployed in construction of MW-class systems.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Coordination and divergence in community assembly processes across co-occurring microbial groups separated by cell size

Setting the pace of life and constraining the role of members in food webs, body size can affect the structure and dynamics of communities across multiple scales of biological organization (e.g., from the individual to the ecosystem). However, its effects on shaping microbial communities, as well as underlying assembly processes, remain poorly known. Here, we analyzed microbial diversity in the largest urban lake in China and disentangled the ecological processes governing microbial eukaryotes and prokaryotes using 16S and 18S amplicon sequencing. We found that pico/nano-eukaryotes (0.22–20 μm) and micro-eukaryotes (20–200 μm) showed significant differences in terms of both community composition and assembly processes even though they were characterized by similar phylotype diversity. We also found scale dependencies whereby micro-eukaryotes were strongly governed by environmental selection at the local scale and dispersal limitation at the regional scale. Interestingly, it was the micro-eukaryotes, rather than the pico/nano-eukaryotes, that shared similar distribution and community assembly patterns with the prokaryotes. This indicated that assembly processes of eukaryotes may be coupled or decoupled from prokaryotes’ assembly processes based on eukaryote cell size. While the results support the important influence of cell size, there may be other factors leading to different levels of assembly process coupling across size classes. Additional studies are needed to quantitatively parse the influence of cell size versus other factors as drivers of coordinated and divergent community assembly processes across microbial groups. Regardless of the governing mechanisms, our results show that there are clear patterns in how assembly processes are coupled across sub-communities defined by cell size. These size-structured patterns could be used to help predict shifts in microbial food webs in response to future disturbance.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

BASS. XXXVI. Constraining the Local Supermassive Black Hole–Halo Connection with BASS DR2 AGNs

We investigate the connection between supermassive black holes (SMBHs) and their host dark matter halos in the local universe using the clustering statistics and luminosity function of active galactic nuclei (AGNs) from the Swift/BAT AGN Spectroscopic Survey (BASS DR2). By forward-modeling AGN activity into snapshot halo catalogs from N -body simulations, we test a scenario in which SMBH mass correlates with dark matter (sub)halo mass for fixed stellar mass. We compare this to a model absent of this correlation, where stellar mass alone determines the SMBH mass. We find that while both simple models are able to largely reproduce the abundance and overall clustering of AGNs, the model in which black hole mass is tightly correlated with halo mass is preferred by the data by 1.8 σ . When including an independent measurement on the black hole mass–halo mass correlation, this model is preferred by 4.6 σ . We show that the clustering trends with black hole mass can further break the degeneracies between the two scenarios and that our preferred model reproduces the measured clustering differences on one-halo scales between large and small black hole masses. These results indicate that the halo binding energy is fundamentally connected to the growth of SMBHs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Biological particles and aerosol-cloud interactions in the Southern Great Plains (Final Report)

The United States Southern Great Plains (SGP) is the genesis for much of the warm season precipitation in the central and eastern United States. While atmospheric thermodynamics and large-scale dynamics play an important role in formation of precipitation, precipitation mechanisms are also sensitive to aerosols. Aerosols can suppress precipitation as cloud condensation nuclei (CCN) or act as ice nucleating particles (INP) in deep convective clouds. This project focused on understanding the role of primary biological aerosol particles (PBAP) in the region and its influence on cloud formation. Specifically, we focused on biological aerosol in the form of pollen, one type of PBAP that is emitted in large yet variable quantities from vegetation in the mid latitudes. Field observations provide evidence of pollen in the planetary boundary layer and pollen components in cloud droplets and fine particulate matter. Further, pollen grains can easily rupture when wet, forming smaller, sub pollen particles with sizes less than one micron. We evaluated the potential for PBAP events at the Department of Energy (DoE) SGP Atmospheric Radiation Measurement (ARM) research facility due to the rich dataset available. We also developed model simulations that accounted for pollen emission and the generation of sub pollen particles, which have been shown to be both cloud condensation nuclei and ice nucleating particles. The proposed work was designed to address the following questions: 1. What are the physical and chemical signatures of biological aerosol such as pollen in SGP ARM measurements? 2. What is the role of pollen-derived particles on deep convection and precipitation in the Central US? Using measurements from the DoE SGP ARM site and recent airborne campaigns, we evaluated the signatures of pollen and pollen-derived aerosols on optical properties, cloud properties and precipitation (Subba et al., 2021). We identified pollen-driven events over the data record and used the Weather Research and Forecasting Model with fully coupled chemistry (WRF-Chem) to conduct chemically realistic simulations of aerosols during and summer mesoscale convective events in the Southern Great Plains (Subba et al., in review). This work improved our understanding of the role of biological aerosol on clouds and precipitation in the Central United States and placed these results in context with anthropogenically-driven processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Biological particles and aerosol-cloud interactions in the Southern Great Plains

The United States Southern Great Plains (SGP) is the genesis for much of the warm season precipitation in the central and eastern United States. While atmospheric thermodynamics and large-scale dynamics play an important role in formation of precipitation, precipitation mechanisms are also sensitive to aerosols. Aerosols can suppress precipitation as cloud condensation nuclei (CCN) or act as ice nucleating particles (INP) in deep convective clouds. This project focused on understanding the role of primary biological aerosol particles (PBAP) in the region and its influence on cloud formation. Specifically, we focused on biological aerosol in the form of pollen, one type of PBAP that is emitted in large yet variable quantities from vegetation in the mid latitudes. Field observations provide evidence of pollen in the planetary boundary layer and pollen components in cloud droplets and fine particulate matter. Further, pollen grains can easily rupture when wet, forming smaller, sub pollen particles with sizes less than one micron. We evaluated the potential for PBAP events at the Department of Energy (DoE) SGP Atmospheric Radiation Measurement (ARM) research facility due to the rich dataset available. We also developed model simulations that accounted for pollen emission and the generation of sub pollen particles, which have been shown to be both cloud condensation nuclei and ice nucleating particles. The proposed work was designed to address the following questions: 1. What are the physical and chemical signatures of biological aerosol such as pollen in SGP ARM measurements? 2. What is the role of pollen-derived particles on deep convection and precipitation in the Central US? Using measurements from the DoE SGP ARM site and recent airborne campaigns, we evaluated the signatures of pollen and pollen-derived aerosols on optical properties, cloud properties and precipitation (Subba et al., 2021). We identified pollen-driven events over the data record and used the Weather Research and Forecasting Model with fully coupled chemistry (WRF-Chem) to conduct chemically realistic simulations of aerosols during and summer mesoscale convective events in the Southern Great Plains (Subba et al., in review). This work improved our understanding of the role of biological aerosol on clouds and precipitation in the Central United States and placed these results in context with anthropogenically-driven processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The role of cool-flame fluctuations in high-pressure spray flames, studied using high-speed optical diagnostics and Large-Eddy Simulations

Here this work investigates the low- and high-temperature ignition and combustion processes, applied to the Engine Combustion Network Spray A flame, combining advanced optical diagnostics and large-eddy simulations (LES). Simultaneous high-speed (50 kHz) formaldehyde (CH 2 0) planar laser-induced fluorescence (PLIF) and line-of-sight OH* chemiluminescence imaging were used to measure the low- and high-temperature flame, during ignition as well as during quasi-steady combustion. While tracking the cool flame at the laser sheet plane, the present experimental setup allows detection of distinct ignition spots and dynamic fluctuations of the lift-off length over time, which overcomes limitations for flame tracking when using schlieren imaging. After significant development to improve LES prediction of the low-and high-temperature flame position, both during the ignition processes and quasi-steady combustion, the simulations were analyzed to gain understanding of the mixture variance and how this variance affects formation/consumption of CH 2 0. Analysis of the high-temperature ignition period shows that a key improvement in the LES is the ability to predict heterogeneous ignition sites, not only in the head of the jet, but in shear layers at the jet edge close to the position where flame lift-off eventually stabilizes. The LES analysis also shows concentrated pockets of CH 2 0, in the center of jet and at 20 mm downstream of the injector (in regions where the equivalence ratio is greater than 6), that are of similar length scale and frequency as the experiment (approximately 5–6 kHz). The periodic oscillation of CH 2 0 match the frequency of pressure waves generated during auto-ignition and reflected within the constant-volume vessel throughout injection. The ability of LES to capture the periodic appearance and destruction of CH 2 0 is particularly important because these structures travel downstream and become rich premixed flames that affect soot production.

42 ENGINEERING↗
DOE OSTI2022

Beam dynamics challenges in linear colliders based on laser-plasma accelerators

In this paper we discuss design considerations and beam dynamics challenges associated with laser-driven plasma-based accelerators as applied to multi-TeV-scale linear colliders. Plasma accelerators provide ultra-high gradients and ultra-short bunches, offering the potential for compact linacs and reduced power requirements. We show that stable, efficient acceleration with beam quality preservation is possible in the nonlinear bubble regime of laser-plasma accelerators using beam shaping. Ion motion, naturally occuring for dense beams (i.e., low emittance and high energy) severely damps transverse beam instabilities. Coulomb scattering by the background ions is considered and it is shown that the strong focusing in the plasma strongly suppresses scattering-induced emittance growth. Finally, Betatron radiation emission from the transverse motion of the beam in the plasma will result in beam power loss and energy spread growth; however for sub-100 nm emittances, the beam power loss and energy spread growth will be sub-percent for multi-TeV-class plasma linacs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

High Aspect Ratio OLEDs

Long-term reliability is especially challenging for organic light emitting diodes (OLEDs) used in solid-state lighting applications because OLED lifetime is inversely proportional to luminance, and most lighting applications demand high luminance. This project explored a new strategy to overcome this tradeoff by constructing OLEDs on a substrate with sub-mm, high aspect ratio surface texture. By creating more active OLED area per unit lighting panel area, the device current density required to generate a given panel luminance decreases. We validated this approach for both fluorescent and phosphorescent OLEDs, demonstrating good thickness uniformity on corrugated substrates with area enhancement factors up to 1.4x using a standard thermal evaporator. Relative to planar controls at the same panel current density, the high aspect ratio devices achieve a 2.7-fold increase in operating lifetime and up to a 40% increase in external light extraction efficiency. Experiments carried out on a pilot-line OLED manufacturing system demonstrated good coating uniformity, indicating that this approach has the potential to be implemented at scale and therefore offers a powerful pathway to improve the efficiency and lifetime of OLED lighting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Evaluation of simulations of near-surface variables using the regional climate model CCLM for the MOSAiC winter period

The ship-based experiment MOSAiC 2019/2020 was carried out during a full year in the Arctic and yielded an excellent data set to test the parameterizations of ocean/sea-ice/atmosphere interaction processes in regional climate models (RCMs). In the present paper, near-surface data during MOSAiC are used for the verification of the RCM COnsortium for Small-scale MOdel–Climate Limited area Mode (COSMO-CLM or CCLM). CCLM is used in a forecast mode (nested in ERA5) for the whole Arctic with 15 km resolution and is run with different configurations of sea ice data. These include the standard sea ice concentration taken from passive microwave data with around 6 km resolution, sea ice concentration from Moderate Resolution Imaging Spectroradiometer (MODIS) thermal infrared data and MODIS sea ice lead fraction data for the winter period. CCLM simulations show a good agreement with the measurements. Relatively large negative biases for temperature occur for November and December, which are likely associated with a too large ice thickness used by CCLM. The consideration of sea ice leads in the sub-grid parameterization in CCLM yields improved results for the near-surface temperature. ERA5 data show a large warm bias of about 2.5°C and an underestimation of the temperature variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ultrafast branching in intersystem crossing dynamics revealed by coherent vibrational wavepacket motions in a bimetallic Pt($\mathrm{II}$) complex

Ultrafast excited-state processes of transition metal complexes (TMCs) are governed by complicated interplays between electronic and nuclear dynamics, which demand a detailed understanding to achieve optimal functionalities of photoactive TMC-based materials for many applications. Here, in this work, we investigated a cyclometalated platinum(II) dimer known to undergo a Pt-Pt bond contraction in metal-metal-to-ligand-charge-transfer (MMLCT) excited state using femtosecond broadband transient absorption (fs-BBTA) spectroscopy in combination with geometry optimization and normal mode calculations. Using sub-20 fs pump and broadband probe pulses in fs-BBTA spectroscopy, we are able to correlate coherent vibrational wavepacket (CVWP) evolution with stimulated emission (SE) dynamics of the 1 MMLCT state. The results demonstrated that the 145 cm -1 CVWP motions with the damping times of ~ 0.9 ps and ~ 2 ps originate from coherent Pt-Pt stretching vibrations in the singlet and triplet MMLCT states, respectively. On the basis of excited-state potential energy surface calculations in our previous work, we rationalized that the CVWP transfer from Franck-Condon (FC) state to the 3 MMLCT state was mediated by a triplet ligand-centered ( 3 LC) intermediate state through two step intersystem crossing (ISC) on a time scale shorter than a period of the Pt-Pt stretching wavepacket motions. Moreover, it was found that the CVWP motion with 110 cm-1 frequency decays with the damping time of ~ 0.2 ps, well matching the time constant of 0.253 ps corresponding to a redshift in the SE feature at early time. This observation indicates that the Pt-Pt bond contraction changes the stretching frequency from 110 to 145 cm -1 and stabilize the 1 MMLCT state relative to the 3 LC state with the ~ 0.2 ps time scale. Thus, the ultrafast ISC from the 1 MMLCT to the 3 LC states occurs before the Pt-Pt bond shortening. The findings herein provide insight into understanding the impact of Pt-Pt bond contraction on ultrafast branching of the 1 MMLCT population into the direct ( 1 MMLCT → 3 MMLCT) and indirect ISC pathways ( 1 MMLCT → 3 LC → 3 MMLCT) in the Pt(II) dimer. These results revealed intricate excited state electronic and nuclear motions that could steer the reaction pathways with levels of details that have not achieved before

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Iron as a driver of organic carbon fate in permafrost regions

Iron (Fe) and its biogeochemical interactions with organic carbon (OC) exert critical controls over carbon storage and water quality across Arctic and sub-Arctic landscapes. Permafrost thaw affects Fe–organic carbon interactions by exposing thawed material and driving shifts in hydrologic regimes. Here we propose a conceptual framework describing how Fe–OC interactions respond to permafrost thaw and the implications for global carbon cycling. The framework builds on current understanding of hydrologically driven processes that are altered by permafrost thaw, including microbial Fe reduction that influences OC decomposition and carbon emissions; Fe cycling through redox transformations and sulfide oxidation; dissolution and reprecipitation of Fe–OC assemblages; and Fe export to river networks. We put forward four testable hypotheses—on topics from Fe supply to its role in soil OC storage and transfer to rivers—to advance understanding of the coupled environmental controls on pore-scale reactions (that is, microscale reactions at mineral–water–microorganism interfaces) that are central to global Fe–OC cycling. Our framework highlights how soil-profile- and landscape-scale processes, such as hydrologic connectivity and redox dynamics, regulate pore-scale Fe–OC reactions.

Herndon, Elizabeth [ORNL] (ORCID:0000000291945493)↗
DOE OSTI2021

An emulator for the Lyman-α forest in beyond-ΛCDM cosmologies

Interpreting observations of the Lyman-α forest flux power spectrum requires interpolation between a small number of expensive simulations. We present a Gaussian process emulator modelling the 1D flux power spectrum as a function of the amplitude and slope of the small-scale linear matter power spectrum, and the state of the intergalactic medium at the epoch of interest (2 < z < 4). This parameterisation enables the prediction of the flux power spectrum in extended cosmological models that are not explicitly included in the training set, eliminating the need to construct bespoke emulators for a number of extensions to ΛCDM. Our emulator is appropriate for cosmologies in which the linear matter power spectrum is described to percent level accuracy by just an amplitude and slope across the epoch of interest, and in the regime probed by eBOSS/DESI data. We demonstrate this for massive neutrino cosmologies, where the emulator is able to predict the flux power spectrum in a Σm ν = 0.3 eV neutrino cosmology to sub-percent accuracy, without including massive neutrinos in the training simulations. Further parameters would be required to describe models with sharp features in the linear power, such as warm or light axion dark matter. This work will facilitate the combination of upcoming DESI data with observations of the cosmic microwave background, to obtain constraints on neutrino mass and other extensions to ΛCDM cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2022

Hadrophilic light dark matter from the atmosphere

Light sub-GeV dark matter (DM) constitutes an underexplored target, beyond the optimized sensitivity of typical direct DM detection experiments. We comprehensively investigate hadrophilic light DM produced from cosmic-ray collisions with the atmosphere. The resulting relativistic DM, originating from meson decays, can be efficiently observed in variety of experiments, such as XENON1T. We include for the first time decays of η, η' and K + mesons, leading to improved limits for DM masses above few hundred MeV. We incorporate an exact treatment of the DM attenuation in Earth and demonstrate that nuclear form factor effects can significantly impact the resulting testable DM parameter space. Further, we establish projections for upcoming experiments, such as DARWIN, over a wide range of DM masses below the GeV scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Enhancement of reactive oxygen species production by ultra-short electron pulses

The development of laser-driven accelerators-on-chip has provided an opportunity to miniaturize devices for electron radiotherapy delivery. Laser-driven accelerators produce highly time-compressed electron pulses, on the 100 fs to 1 ps scale. This delivers electrons at high peak power yet low average beam current compared with conventional delivery devices, which generate pulses of approximately 3 µs. The biophysical effects of this time structure, however, are unclear. Here, we use a Monte Carlo simulation approach to explore the effects of the electron beam time structure on the production of reactive oxygen species (ROS) in water. Our results show a power law increase in the generation of hydroxyl ions per deposited electron with decreasing pulse length over the pulse length range of 10 µs to 100 fs. Similar trends were observed for hydrogen peroxide, superoxide, hydroperoxyl, hydronium and solvated electrons. In practical terms, this indicates a fourfold increase in the efficiency of free radical production for sub-picosecond pulses, relative to that of conventional microsecond pulses, for the same number of deposited electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗