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DOE OSTI2024

Predator mass mortality events restructure food webs through trophic decoupling

Predators have a key role in structuring ecosystems. However, predator loss is accelerating globally, and predator mass-mortality events (MMEs)—rapid large-scale die-offs—are now emblematic of the Anthropocene epoch. Owing to their rare and unpredictable nature, we lack an understanding of how MMEs immediately impact ecosystems. Past predator-removal studies may be insufficient to understand the ecological consequences of MMEs because, in nature, dead predators decompose in situ and generate a resource pulse, which could alter ensuing ecosystem dynamics by temporarily enhancing productivity. Here we experimentally induce MMEs in tritrophic, freshwater lake food webs and report ecological dynamics that are distinct from predator losses or resource pulses alone, but that can be predicted from theory. MMEs led to the proliferation of diverse consumer and producer communities resulting from weakened top-down predator control and stronger bottom-up effects through predator decomposition. In contrast to predator removals alone, enhanced primary production after MMEs dampened the consumer community response. As a consequence, MMEs generated biomass dynamics that were most similar to those of undisturbed systems, indicating that they may be cryptic disturbances in nature. These biomass dynamics led to trophic decoupling, whereby the indirect beneficial effects of predators on primary producers are lost and later materialize as direct bottom-up effects that stimulate primary production amid intensified herbivory. Furthermore, these results reveal ecological signatures of MMEs and demonstrate the feasibility of forecasting novel ecological dynamics arising with intensifying global change.

Food webs↗

DOE OSTI2024

Evaluating the Effects of Detector Modeling Uncertainties on Sterile Neutrino Oscillation Analysis with the ICARUS Detector

he ICARUS T600 LArTPC detector was refurbished after an initial run at the underground LNGS labs and is currently taking data within its experimental hall at Fermilab after full commissioning. Regular data taking began in May 2021 with neutrinos from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI) off-axis beam. As the far detector of the Short-Baseline Neutrino (SBN) Program, the ICARUS detector's capability in searching for both muon neutrino disappearance and electron neutrino appearance will allow for unprecedented sensitivity to light sterile neutrinos with eV-scale mass. The ultimate sensitivity of the detector to sterile neutrino oscillations depends on the understanding of the detector response and the uncertainties remaining after calibrating the detector model. This poster will review how detector-model-related uncertainties are quantified, evaluated and their impact on expected sterile neutrino oscillation sensitivities using the existing ICARUS data. The work pursued here is broadly applicable to other ICARUS analysis pathways such as neutrino-argon cross-sections and Beyond the Standard Model physics searches. It will finally discuss improvement pathways to reduce the systematic uncertainties to the level needed for the joint sterile neutrino oscillation analysis with the Short Baseline Near Detector (SBND) within the SBN Program.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

CRISPR/Cas9 Directed Reprogramming of iPSC for Accelerated Motor Neuron Differentiation Leads to Dysregulation of Neuronal Fate Patterning and Function

Neurodegeneration causes a significant disease burden and there are few therapeutic interventions available for reversing or slowing the disease progression. Induced pluripotent stem cells (iPSCs) hold significant potential since they are sourced from adult tissue and have the capacity to be differentiated into numerous cell lineages, including motor neurons. This differentiation process traditionally relies on cell lineage patterning factors to be supplied in the differentiation media. Genetic engineering of iPSC with the introduction of recombinant master regulators of motor neuron (MN) differentiation has the potential to shorten and streamline cell developmental programs. We have established stable iPSC cell lines with transient induction of exogenous LHX3 and ISL1 from the Tet-activator regulatory region and have demonstrated that induction of the transgenes is not sufficient for the development of mature MNs in the absence of neuron patterning factors. Comparative global transcriptome analysis of MN development from native and Lhx-ISL1 modified iPSC cultures demonstrated that the genetic manipulation helped to streamline the neuronal patterning process. However, leaky gene expression of the exogenous MN master regulators in iPSC resulted in the premature activation of genetic pathways characteristic of the mature MN function. Dysregulation of metabolic and regulatory pathways within the developmental process affected the MN electrophysiological responses.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Polarized Photocathodes development for the EIC: Optimizing Spin and Quantum Efficiency

GaAs/GaAsP superlattice photocathodes play a critical role for producing highly polarized electron beams for the Electron-Ion Collider (EIC) at Brookhaven National Laboratory. The electron pre-injector for the EIC requires electron bunches with high bunch charge (1-2 nC) and high polarization, from GaAs-based superlattice photocathode. Herein, we have systematically investigated a range of GaAs/GaAsP superlattice photocathodes fabricated via molecular beam epitaxy (MBE) and metal-organic chemical vapor deposition (MOCVD). Through optimization of pre-cleaning procedures and surface doping conditions, we aim to identify the most promising photocathode configurations for future EIC operations. To enhance the quantum efficiency (QE), a Distributed Bragg Reflector structure is frequently incorporated beneath the superlattice. While this approach effectively increases QE, it also introduces additional complexities that can adversely influence spin polarization and the spectral response at specific laser wavelengths. This note provides an overview of superlattice GaAs development and outlines the EIC team’s ongoing efforts to address related challenges and advance high-performance photocathode development tailored for the EIC. Over five years of multi-institutional collaboration and measurements of about 50 SL-GaAs samples, our analysis presents statistics on samples exhibiting high ESP and high QE. It will help to set the initial ESP requirements for the EIC project.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Cell wall ester modifications and volatile emission signatures of plant response to abiotic stress

Abstract Growth suppression and defence signalling are simultaneous strategies that plants invoke to respond to abiotic stress. Here, we show that the drought stress response of poplar trees ( Populus trichocarpa ) is initiated by a suppression in cell wall derived methanol (MeOH) emissions and activation of acetic acid (AA) fermentation defences. Temperature sensitive emissions dominated by MeOH (AA/MeOH <30%) were observed from physiologically active leaves, branches, detached stems, leaf cell wall isolations and whole ecosystems. In contrast, drought treatment resulted in a suppression of MeOH emissions and strong enhancement in AA emissions together with volatiles acetaldehyde, ethanol, and acetone. These drought‐induced changes coincided with a reduction in stomatal conductance, photosynthesis, transpiration, and leaf water potential. The strong enhancement in AA/MeOH emission ratios during drought (400%–3500%) was associated with an increase in acetate content of whole leaf cell walls, which became significantly 13 C 2 ‐labelled following the delivery of 13 C 2 ‐acetate via the transpiration stream. The results are consistent with both enzymatic and nonenzymatic MeOH and AA production at high temperature in hydrated tissues associated with accelerated primary cell wall growth processes, which are downregulated during drought. While the metabolic source(s) require further investigation, the observations are consistent with drought‐induced activation of aerobic fermentation driving high rates of foliar AA emissions and enhancements in leaf cell wall O ‐acetylation. We suggest that atmospheric AA/MeOH emission ratios could be useful as a highly sensitive signal in studies investigating environmental and biological factors influencing growth‐defence trade‐offs in plants and ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

2023 Critical Materials Strategy

The global effort to curb carbon emissions is accelerating demand for clean energy technologies and the materials they rely on. Demand for these materials will only continue to grow, especially as some nations aim to achieve net zero emissions by 2050. While some major materials like steel, copper, and aluminum are already powering the fossil fuel economy, others are more minor materials with potential supply risks. These risks could jeopardize the ability to reduce greenhouse gas emissions within the desirable timeframe to avoid significant climate change. In some cases, it may be necessary to take action to improve the resilience of material supply chains and mitigate supply risks. Understanding the importance of individual materials to clean energy and the supply risks associated with them is necessary to identify which materials may serve as potential roadblocks to a clean energy future. The U.S. Department of Energy (DOE) issued a series of 13 supply chain deep dive assessment reports on various energy technologies in 2022 in response to President Biden’s Executive Order on America’s Supply Chains (E.O. 14017). These reports emphasized that supply chain bottlenecks can occur at any stage of the value chain from mining and refining to component and even sub-system manufacturing. The bottlenecks are a combination of factors such as material availability, equipment availability, work force availability and quality, logistics, regulatory framework, and market conditions. These bottlenecks were worsened during the global Covid-19 pandemic. Its lingering impacts have hindered capacity expansion for material supply chains and prevented product lead-time recovery. One approach to reduce supply chain risks for the United States is to have a strong domestic manufacturing sector with a diverse set of producers. Boosting responsible domestic production would require leveraging the latest science not only in material extraction but also in developing substitutes, recycling, reuse, and remanufacturing. This report is an updated analysis of previous Critical Materials Strategy (CMS) reports published by the DOE in 2010, 2011, and 2019 based on national and global priorities, technology advancement, and technology adoption trends. Like the CMS reports, this analysis presents the results of a formal material criticality assessment to identify which materials are critical to the continued deployment of clean energy technologies globally. The analysis in this report leveraged the DOE supply chain deep dive assessments to develop the initial list of materials to evaluate. This DOE Critical Materials Assessment (CMA) is conducted independently of criticality assessments performed by other U.S. government agencies, such as that conducted by the U.S. Geological Survey (USGS). This analysis complements the USGS critical minerals determination in three aspects. First, the DOE assessment is performed from a global perspective, while the USGS analysis focusses on the importance of minerals to the U.S. economy. Second, this report focuses on the importance of materials to clean energy technologies, rather than to the economy in general. Lastly, this study is forward looking to 2035 based on clean energy deployment scenarios, whereas the USGS assessment is retrospective. Materials evaluated in this report that do not appear in the USGS Critical Minerals List include copper, uranium, electrical steel, and SiC. A draft version of this report received ~80 public comments related to supporting data and methodological improvement. Those comments have been incorporated as much as possible where appropriate. Highlights of findings from this 2023 CMA include: Rare earth materials (neodymium, praseodymium, dysprosium, and terbium) used in magnets in electric vehicle (EV) motors and wind turbine generators continue to be critical. While dysprosium (Dy) and terbium (Tb) are both heavy rare earth elements that serve the same function in magnets, the criticality of Tb is slightly lower than that for Dy in the short term due to the widespread use of Dy in high-grade magnets and Tb’s present role as a substitute. Similarly, praseodymium (Pr) is critical in the medium term but only near critical in the short term because it is more substitutable in magnets than neodymium (Nd); Materials used in batteries for EVs and stationary storage are now considered to be critical. While cobalt (Co) was found to be critical in this and previous reports, lithium (Li) becomes critical in the medium term due to its broader use in various battery chemistries and the rampant growth of the EV industry. Natural graphite is a new addition in this assessment and is also found to be critical; Platinum group metals used in hydrogen electrolyzers, such as platinum (Pr) and iridium (Ir), are critical due to an increased focus on hydrogen technologies to achieve net zero carbon emissions, while those used in catalytic converters, such as rhodium (Rh) and palladium (Pd), were screened out due to the decreased importance of catalytic converters in the medium term; Gallium (Ga) continues to be critical due to its use in light-emitting diodes (LEDs). In addition, the use of Ga has increased in magnet manufacturing and in semiconductor in forms such as gallium arsenide (GaAs) or gallium nitride (GaN); Major materials like Aluminum (Al), copper (Cu), nickel (Ni), and silicon (Si) move from noncritical in the short term to near critical in the medium term due to their importance in electrification; Electrical steel is near critical due to its use in transformers for the grid and electric motors in EVs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

How Does Feedback Affect the Star Formation Histories of Galaxies?

Star formation in galaxies is regulated by the interplay of a range of processes that shape the multiphase gas in the interstellar and circumgalactic media. Using the Cosmology and Astrophysics with MachinE Learning Simulations (CAMELS) suite of cosmological simulations, we study the effects of varying feedback and cosmology on the average star formation histories (SFHs) of galaxies at z ∼ 0 across the IllustrisTNG, SIMBA, and ASTRID galaxy formation models. We find that galaxy SFHs in all three models are sensitive to changes in stellar feedback, which affect the efficiency of baryon cycling and the rates at which central black holes grow, whereas the effects of varying active galactic nucleus (AGN) feedback depend on model-specific implementations of black hole seeding, accretion, and feedback. We also find strong interaction terms that couple stellar and AGN feedback, usually by regulating the amount of gas available for the central black hole to accrete. Using a double power law to describe the average SFHs, we derive a general set of equations relating the shape of the SFHs to physical quantities like baryon fraction and black hole mass across all three models. We find that a single set of equations (albeit with different coefficients) can describe the SFHs across all three CAMELS models, with cosmology dominating the SFH at early times, followed by halo accretion, and feedback and baryon cycling at late times. Galaxy SFHs provide a novel, complementary probe to constrain cosmology and feedback, and can connect the observational constraints from current and upcoming galaxy surveys with the physical mechanisms responsible for regulating galaxy growth and quenching.

Iyer, Kartheik G. [Columbia Univ., New York, NY (U↗

DOE OSTI2021

Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA)

Flavin adenine dinucleotide (FAD)-dependent bacterial oleate hydratases (OhyAs) catalyze the addition of water to isolated fatty acid carbon–carbon double bonds. Staphylococcus aureus uses OhyA to counteract the host innate immune response by inactivating antimicrobial unsaturated fatty acids. Mechanistic information explaining how OhyAs catalyze regiospecific and stereospecific hydration is required to understand their biological functions and the potential for engineering new products. In this study, we deduced the catalytic mechanism of OhyA from multiple structures of S. aureus OhyA in binary and ternary complexes with combinations of ligands along with biochemical analyses of relevant mutants. The substrate-free state shows Arg81 is the gatekeeper that controls fatty acid entrance to the active site. FAD binding engages the catalytic loop to simultaneously rotate Glu82 into its active conformation and Arg81 out of the hydrophobic substrate tunnel, allowing the fatty acid to rotate into the active site. FAD binding also dehydrates the active site, leaving a single water molecule connected to Glu82. This active site water is a hydronium ion based on the analysis of its hydrogen bond network in the OhyA•PEG400•FAD complex. We conclude that OhyA accelerates acid-catalyzed alkene hydration by positioning the fatty acid double bond to attack the active site hydronium ion, followed by the addition of water to the transient carbocation intermediate. Structural transitions within S. aureus OhyA channel oleate to the active site, curl oleate around the substrate water, and stabilize the hydroxylated product to inactivate antimicrobial fatty acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Effect of Water Chemistry on Crack Growth Rates in Neutron Irradiated X-750 and XM-19

The Advanced Test Reactor (ATR) National Science User Facility (NSUF) was used to study the effect of neutron damage on crack growth rates (CGR) under simulated boiling water reactor (BWR) water chemistry conditions using a fast neutron spectrum to accelerate the damage process. Nickel based Alloy X-750 and XM-19 were irradiated in the ATR center flux trap (CFT), with this experiment marking the first civilian project to utilize this position within the reactor. 0.4T-CT specimens were used to study crack growth rates for two sample fluences (~1.9 x 1020 n/cm2 and ~9.5 x 1020 n/cm2, E > 1MeV) in both normal water chemistry (NWC) at 2.5 ppm O2 and hydrogen water chemistry (HWC) at ~80 ppb H2. A decrease in CGR was observed with HWC for both alloys with the average ratio (CGR in NWC/CGR in HWC) being a factor of 281 for the XM-19 samples and a factor of 27.8 for the X-750 samples. Observed CGRs in this study showed little difference compared to non-irradiated samples (the non-irradiated XM-19 was 20% cold worked), suggesting limited sensitivity of these susceptible alloys to irradiation effects. The CGR response to varying environmental electrochemical potential (ECP) and water purity will be presented.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Electromagnetic modeling and science reach of DMRadio-m 3

DMRadio-m 3 is an experimental search for dark matter axions. It uses a solenoidal dc magnetic field to convert an axion dark-matter signal to an ac electromagnetic response in a coaxial copper pickup. The current induced by this axion signal is measured by dc SQUIDs. DMRadio-m 3 is designed to be sensitive to Kim-Shifman-Vainshtein-Zakharov (KSVZ) and Dine-Fischler-Srednicki-Zhitnisky (DFSZ) QCD axion models in the 10–200 MHz (41 neV/𝑐 2 –0.83 μ⁢eV/𝑐 2 ) range, and to axions with 𝑔 𝑎⁢𝛾⁢𝛾 =𝑔 𝑎⁢𝛾⁢𝛾,DFSZ ⁡(30 MHz) =1.87 ×10 −17 GeV −1 over 5–30 MHz as an extended goal. In this work, we present the electromagnetic modeling of the response of the experiment to an axion signal over the full frequency range of DMRadio-m 3 , which extends from the low-frequency, lumped-element limit to a regime where the axion Compton wavelength is only a factor of 2 larger than the detector size. With these results, we determine the live time and sensitivity of the experiment. The primary science goal of sensitivity to DFSZ axions across 30–200 MHz can be achieved with a 3⁢𝜎 live scan time of 2.9 years.

Dark matter direct detection↗

DOE OSTI2021

Systems Engineering Approach for Design and Implementation of a Gas Breech for Actinide Experiments at the JASPER Facility

The Joint Actinide Shock Physics Experimental Research (JASPER) Facility is located approximately 65 miles north of Las Vegas, Nevada at the Nevada National Security Site (NNSS). The primary mission is to conduct shock physics research on actinide materials in support of NNSA’s Stockpile Stewardship Program. JASPER experiment uses a two-stage light gas gun to accelerate projectiles into targets at velocities up to 8 km/s (17,000 mph). The first stage uses an ignited propellent to drive a piston to compress gas in the pump tube. At the second stage, the gas compression exceeds a specified pressure and a rupture valve at the end of the pump tube opens. This launches a projectile to impact the target. The target is housed inside the target assembly and the debris field is contained inside the primary target chamber (PTC). The PTC is placed inside the secondary confinement chamber (SCC) as an added protection against possible contamination. These major components are illustrated in Figure 1.JASPER is capable of generating and measuring data on the properties of radioactive chemical elements at high shock pressures, temperatures, and strain rates approximating the conditions in nuclear weapons by using a two-stage gas gun. The data is used to determine material equations-of-state and validate computer models of material response. The work advances predictive capability, thus ensuring confidence in the nuclear stockpile.

42 ENGINEERING↗

DOE OSTI2026

Integrating Carbon Capture, Utilization, & Sequestration into Chemical Pulp Mills

The U.S. pulp and paper industry presents a unique and largely untapped opportunity for large- scale carbon dioxide removal (CDR). Unlike most industrial sectors, pulp mills rely heavily on biomass, meaning that much of their carbon emissions originate from atmospheric CO₂ that was recently captured by plants. If this biogenic CO₂ can be captured and permanently stored, pulp mills can be transformed from carbon emitters into net carbon removal facilities. This project was motivated by that opportunity and aimed to develop and evaluate integrated, low-cost strategies for capturing, utilizing, and sequestering CO₂ within existing chemical pulping operations. The scope of this work focused on four complementary innovations designed to integrate seamlessly into kraft pulp mill infrastructure: (1) in situ CO₂ capture within the recovery cycle, (2) oxy-fuel retrofitting of the rotary lime kiln to produce a high-purity CO₂ stream, (3) ex situ CO₂ capture and mineralization using pulp mill residues (dregs, grits, and lime mud), and (4) beneficial reuse of these residues as mineral carbonate fertilizers. The project combined process modeling, laboratory experimentation, life cycle assessment (LCA), and field trials to evaluate the technical feasibility, economic viability, and environmental impact of these approaches. The results demonstrate that pulp mills can serve as effective platforms for carbon removal when equipped with integrated carbon capture systems. Process modeling showed that combining sodium spiking with oxy-fuel calcination significantly enhances CO₂ capture efficiency while reducing costs by up to 31% compared to conventional configurations. Experimental work further revealed that calcination behavior in high-CO₂ environments differs substantially from traditional systems, leading to the development of a new kinetic model that predicts reaction rates under these conditions. This model provides essential design guidance for next-generation decarbonized lime kilns. In parallel, the project demonstrated that alkaline mineral residues generated during pulping operations can be repurposed as a sustainable alternative to agricultural lime. Across a wide range of soils in the southeastern United States, these materials performed equivalently to commercial lime in adjusting soil pH while offering lower greenhouse gas emissions and reduced cost. Field and greenhouse studies confirmed that crop and tree growth responses were comparable, supporting their viability as a drop-in replacement. This co-product pathway provides a practical utilization strategy that offsets costs and improves overall system economics. A major contribution of this project is the first comprehensive life cycle assessment of carbon removal in pulp and paper systems across multiple system boundaries. Results show that retrofitted mills can achieve carbon removal efficiencies ranging from 12% to 92%, depending on how the system is defined. This finding highlights a critical issue in carbon accounting: reported performance is highly sensitive to methodological choices. By explicitly quantifying these differences, this work provides valuable guidance for policymakers, carbon registries, and project developers working to standardize carbon removal metrics. From a commercialization perspective, the technologies investigated in this project are well- aligned with existing industrial infrastructure, minimizing the need for entirely new facilities. 3 DE-EE0009413 Industry engagement throughout the project—including collaboration with pulp and paper companies, equipment manufacturers, and carbon removal developers—has accelerated the transition from research to deployment. Notably, a commercial developer is actively pursuing carbon capture projects at pulp mills in the southeastern United States and has cited this research as a contributing foundation. The emergence of voluntary carbon markets and long-term offtake agreements further strengthens the business case for implementation. The broader public benefits of this work are significant. By enabling large-scale carbon removal using existing industrial systems, this approach offers a near-term pathway to reduce atmospheric CO₂ concentrations while supporting domestic manufacturing and rural economies. The reuse of industrial residues as fertilizers reduces reliance on mined materials, lowers costs for farmers, and decreases environmental impacts associated with conventional lime production. In addition, the project has supported workforce development by training graduate students and researchers in carbon capture technologies, helping to build capacity in a critical area of national interest. In conclusion, this project demonstrates that integrated carbon capture, utilization, and sequestration in pulp mills is both technically feasible and economically promising. By combining process innovation, experimental validation, and systems-level analysis, the work advances the understanding of how biomass-based industries can contribute to climate mitigation. The findings provide a strong foundation for commercial deployment and offer a scalable solution for transforming a major U.S. industry into a source of durable carbon removal.

09 BIOMASS FUELS↗

DOE OSTI2022

AI-Driven Smart Community Control for Accelerating PV Adoption and Enhancing Grid Resilience

Rapid deployment of residential photovoltaic (PV) systems helps decarbonize our electricity supplies, but under certain circumstances, high-penetration PV may pose challenges to the electrical distribution grid. In a project funded by the U.S. Department of Energy's Solar Energy Technologies Office and Building Technologies Office, the National Renewable Energy Laboratory and its partners studied how flexible building loads and battery storage, when coordinated at home-level and community-level scales, can be used to address those challenges and enhance grid resilience. In this webinar, we will discuss the methodology, simulation and field pilot results, insights from partners, and lessons learned from the project.

artificial intelligence↗

DOE OSTI2024

The NuMI Flux Prediction at ICARUS

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino oscillation experiment seeking to probe fundamental symmetries within the structure of the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) mixing matrix, and perform precision measurements its parameters including the neutrino mass ordering via the sign of $\Delta m^2_{31}$, and the charge-parity violating phase, $\delta_{CP}$. To make these measurements with high precision, DUNE will require external $\nu$-Ar scattering cross section data as a crucial input to the oscillation fit. Imaging Cosmic And Rare Underground Signals (ICARUS) is a 476 t liquid argon neutrino detector located at Fermi National Accelerator Laboratory (FNAL) where it is serving as the far detector for the Short-Baseline Neutrino (SBN) program along the Booster Neutrino Beam (BNB) axis. ICARUS additionally lies 795 m downstream and 100.1 mrad off-axis of the Neutrinos at the Main Injector (NuMI) neutrino beam. From this position, ICARUS is exposed to a large flux of NuMI (anti-)electron and (anti-)muon neutrinos, and poses a unique opportunity to provide high-statistics measurements of quasi-elastic and single pion-production cross sections for four neutrino flavors ($\nu_{\mu}$, $\nu_{e}$, $\bar{\nu}_{\mu}$, $\bar{\nu}_{e}$). This dissertation is centered around accurately characterizing the models and estimating their precision for use in making these measurements. This includes identifying major sources of uncertainty in the models such that they can be properly propagated to the cross section measurements. Specifically, this work focused on the model of the NuMI beamline and its impact on the neutrino fluxes, but also delved into the detector response model and its impact on reconstructed observables in the detector. Significant efforts were made to improve the characterization to enhance precision and thus reduce the level of propagated uncertainty. In particular, the NuMI flux was determined to be composed of 57% $\nu_{\mu}$, 38% $\bar{\nu}_{\mu}$, 3% $\nu_{e}$, and 2% $\bar{\nu}_{e}$ while the horns are operating in the positive-particle focusing configuration. The total uncertainty on the $\nu_{\mu} + \bar{\nu}_{\mu}$ ($\nu_{e} + \bar{\nu}_{e}$) flux while operating in the forward horn operating mode was determined to be 10.84% (9.04%). Compared to the on-axis flux, mesons that eventually decay to neutrinos more frequently reinteract within the NuMI structure, resulting in elevated uncertainty as these processes are not well-constrained by existing hadron interaction cross section measurements. Covariance matrices were calculated to propagate the flux uncertainty characterization to NuMI analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Calibration of the 2-Phase Bubble Tracking Model for Liquid Mercury Target Simulation with Machine Learning Surrogate Models

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory is one of the most powerful accelerator-driven neutron sources in the world. The intense protons strike on SNS's mercury target to provide bright neutron beams, which also leads to severe fluid-structure interactions inside the target. Prediction of resultant loading on the target is difficult particularly when helium gas is injected into mercury to reduce the loading and mitigate the pitting damage on vessel walls. A 2-phase material model that incorporates the Rayleigh-Plesset (R-P) model is expected to address this multi-physics problem. However, several uncertain parameters in the R-P model require intensive simulations to determine their optimal values. With the help of machine learning and the measured target strain, we have studied the major uncertain parameters in this R-P model and developed a framework to identify optimal parameters that significantly reduce the discrepancy between simulations and experimental strains. The preliminary results show the possibility of using this mercury/helium mixture and surrogate models to predict a better match of target strain response when the helium gas is injected.

Lin, Lianshan↗

DOE OSTI2022

Effect of Water Chemistry on Crack Growth Rate in Neutron Irradiated X-750 and XM-19

The Advanced Test Reactor (ATR) National Science User Facility (NSUF) was used to study the effect of neutron damage on crack growth rates (CGR) under simulated boiling water reactor (BWR) water chemistry conditions using a fast neutron spectrum to accelerate the damage process. Nickel based Alloy X-750 and XM-19 were irradiated in the ATR center flux trap (CFT), with this experiment marking the first civilian project to utilize this position within the reactor. 0.4T-CT specimens were used to study crack growth rates for two sample fluences (~1.9 x 1020 n/cm2 and ~9.5 x 1020 n/cm2, E > 1MeV)) in both normal water chemistry (NWC) at 2.5 ppm O2 and hydrogen water chemistry (HWC) at ~80 ppb H2. CGR testing was conducted at a temperature of 288 °C. A decrease in CGR was observed for both alloys with the average ratio (CGR in NWC/CGR in HWC) being a factor of 281 for the XM-19 samples and a factor of 27.8 for the X-750 samples. Observed CGRs in this study showed little difference compared to non-irradiated samples (the non-irradiated XM-19 was 20% cold worked), suggesting limited sensitivity of these susceptible alloys to irradiation effects. Detailed results of CGR response to varying environmental electrochemical potential (ECP) and water purity will be presented in the context of crack growth mitigation in different water chemistries and the change in material behavior relative to non-irradiated samples of the material.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Perovskite on Silicon Tandem Solar Cells

Since installing solar panels costs more than the panels themselves, it is critically important to improve the efficiency of the panels so that fewer panels need to be installed. More than 90% of all panels being manufactured are made with silicon solar cells. The most promising approach to reach 27% is to upgrade the panels by adding a second set of cells with a larger band gap that can harvest the higher energy photons in the visible spectrum and generate a higher voltage than silicon is capable of generating. Perovskite semiconductors are very promising for low-cost tandems because they have high band gaps, can be rapidly printed from solutions and have been used to make 25% efficient cells by themselves. If we show that it is possible to make stable tandems with 30% efficiency using materials that could be deposited at low cost and that the energy yield will not be compromised, then private companies would be able to raise the capital needed to manufacture this technology. The main metrics for this project are the power conversion efficiency of a lab-scale perovskite/silicon tandem and the ability to maintain a high power conversion efficiency in perovskite solar cells after accelerated operational stability testing under maximum power point at elevated temperature and 1 sun illumination. In short, this project demonstrates improvements to the perovskite absorber layer, contacts for the perovskite solar cell, and transparent oxide layers for window electrodes to achieve tandem efficiencies of 25% after one year and 27% after two years. By the end of the project, we identify strategies to further improve light management in the tandem devices and outline a pathway to reach 30%.In parallel, stability testing is conducted to evaluate said absorber and contact layers in the perovskite top cell, demonstrating 1000 hours of operation with less than 10% degradation at 1 sun. Our work on this project has made a leading impact on the development of perovskite/silicon tandems. The triple halide perovskite that we developed using iodide, bromide, and chloride and published in Science in March 2020 has received significant interest from other experts in the field at conferences. We took a silicon bottom cell with 21% efficiency, a technology that is responsible for a $30 billion market, and improved it by 30% relative. In addition, we have demonstrated impressive stability of our perovskite semitransparent top cells used in the tandems, showing for the first time packaged devices that pass a variety of IEC stability tests including damp heat, temperature cycling, and UV exposure tests.

14 SOLAR ENERGY↗

DOE OSTI2022

Static and Dynamic Gradient Based Directional Transportation of Neutral Molecules in Swollen Polymer Films

Abstract Materials which selectively transport molecules offer powerful opportunities for concentrating and separating chemical agents. Here, utilizing static and dynamic chemical gradients, transport of molecules within swollen crosslinked polymers is demonstrated. Using an ≈200 μm static hydroxyl to hexyl gradient, the neutral ambipolar nerve agent surrogate diethyl (cyanomethyl)phosphonate (DECP) is directionally transported and concentrated 60‐fold within 4 hours. To accelerate transport kinetics, a dynamic gradient (a “travelling wave”) is utilized. Here, the non‐polar dye pyrene was transported. The dynamic gradient is generated by an ion exchange process triggered by the localized introduction of an aqueous NaCl solution, which converts the gel from hydrophobic to hydrophilic. As the hydrophilic region expands, associated water enters the gel, and pyrene is pushed ahead of the expansion front. The dynamic gradient provides about 10‐fold faster transport kinetics than the static gradient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗