Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Source Term Analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Risk Analysis of Various Design Architectures for High Safety-significant Safety-related Digital Instrumentation and Control Systems of Nuclear Power Plants during Accident Scenarios

This report documents the plus-up activities performed by Idaho National Laboratory (INL) during Fiscal Year (FY) 2022 for the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) risk assessment project. In FY 2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a strong technical basis to support effective, licensable, and secure DI&C technologies for digital upgrades/designs. An integrated risk assessment technology for the DI&C systems was proposed for this strategy, which aims to (1) provide a best-estimate, risk-informed capability to quantitatively and accurately estimate the safety margin obtained from plant modernization, especially for the high safety-significant safety-related (HSSSR) DI&C systems, (2) support and supplement existing advanced risk-informed DI&C design guides by providing quantitative risk information and evidence, (3) offer a capability of design architecture evaluation of various DI&C systems to support system design decisions and diversity and redundancy applications, (4) assure the long-term safety and reliability of HSSSR DI&C systems, and (5) reduce uncertainty in costs and support integration of DI&C systems in the plant. To achieve these technical goals and deal with the expensive licensing justifications from regulatory insights, the LWRS-developed framework instructs nuclear vendors and utilities on how to effectively lower the costs associated with digital compliance and speed industry advances by: (1) defining an integrated risk-informed analysis process for DI&C upgrade, including hazard analysis, reliability analysis, and consequence analysis, (2) applying systematic and risk-informed tools to address common cause failures (CCFs) and quantify corresponding failure probabilities for DI&C technologies, particularly software CCFs, (3) evaluating the impact of digital failures at the component level, system level, and plant level, and (4) providing insights and suggestions on designs to manage the risks, thus to support the development, licensing, and deployment of advanced DI&C technologies on nuclear power plant (NPPs). Adding diversity within system or components is the main means to eliminate and mitigate CCFs, but diversity also increases plant complexity and errors and may not address all sources of systematic failures. How to optimize the diversity and redundancy applications for the safety-critical DI&C systems remains a challenge. To deal with the technical issues in addressing potential software CCFs in HSSSR DI&C systems of NPPs and supporting relevant design optimization, the framework provides: ? An integrated best-estimate, risk-informed capability to address new technical digital issues quantitatively, accurately, and efficiently in plan modernization progress, such as software CCFs in HSSSR DI&C systems of NPPs ? A common and a modularized platform for DI&C designers, software developers, cybersecurity analysts, and plant engineers to efficiently predict and prevent risk in the early design stage of DI&C systems ? Technical bases and risk-informed insights to assist U.S. Nuclear Regulatory Commission (NRC) and industry to address and fulfill the risk-informed alternatives for evaluation of CCFs in HSSSR DI&C systems of NPPs ? An integrated risk-informed tool that offers a capability of design architecture evaluation of various DI&C systems to support system design decisions in diversity and redundancy applications. The plus-up research and development efforts of this project in FY 2022 are focused on methodology improvement of software CCF modeling and estimation, prevention analysis, importance analysis and risk analysis of various design architectures of HSSSR DI&C systems. This work greatly enhances the capability of the LWRS-developed framework for the risk assessment and design optimization of safety-critical DI&C systems. It should be noted that all the analyses are performed for the demonstration of the LWRS-developed framework, not for the evaluation of relevant systems. Results are obtained based on very limited design information and testing data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Surface Complexation/Ion Exchange Hybrid Model for Radionuclide Sorption to Clay Minerals (M4SF-23LL010301062)

This progress report (Level 4 Milestone Number M4SF-23LL010301062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite International Collaborations Activity Number SF-23LL01030106. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. The focus of this milestone is the establishment of international collaborations for surface complexation modeling and the associated impacts of unlocking larger, community-based datasets. More specifically, we are developing a database framework for Spent Fuel and Waste and Science Technology (SFWST) that is aligned with the Helmholtz Zentrum Dresden Rossendorf (HZDR) sorption database development group in support of the database needs of the SFWST program. In our FY22 effort, we described a detailed analysis of U(VI) sorption to quartz through both traditional surface complexation modeling and through a hybrid ML framework. In FY23, effort was placed on publication of these results and expansion of the LLNL surface complexation and ion exchange database (L-SCIE) in order to assess mineral-based radionuclide retardation under a wider variety of geochemical conditions (e.g., ionic strength, varying electrolyte compositions). Efforts were initiated to expand L-SCIE to include radionuclide surface complexation and ion exchange to clays that are relevant to subsurface geochemical processes occurring at nuclear waste repositories. In particular, a large source of sorption data for clays resides at the Paul Scherrer Institute (PSI) (work primarily by Bradbury and Baeyens) and we initiated discussions on how to retrieve those data and apply FAIR principles to those datasets. In addition to L-SCIE development, two hybrid models that incorporate AI/ML were investigated and compared to discern the most promising approaches for accurate and precise estimations of radionuclide retardation. Key considerations for future model development include (1) the ability to reduce computational burden on determining retardation coefficients for PA and (2) the ability to quantify and predict radionuclide-mineral partitioning at a more efficient, rapid pace due to automated workflows. Upon the careful consideration of the most effective modeling approaches, we are identifying ways to implement these approaches into PA. Ultimately, the data science-based workflows will provide a major incentive for other institutions to adopt a FAIR-formatted, interoperable database. LLNL will play a key role in disseminating sorption data and acting as good data stewards by updating the database in a consistent format and assessing the quality of the newly assimilated data in an organized fashion. To this end, all data and workflows are open access and made available on the LLNL Seaborg research website (https://seaborg.llnl.gov/resources/geochemical-databases-modeling-codes).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Consequence analyses of sabotage-induced radiological releases in sodium-cooled fast microreactors

Analysis of three sodium-cooled fast microreactors (SFMs) with thermal powers of 10, 30, and 50 MWt showed that smaller reactors result in lower radiological consequences during a postulated sabotage-induced event because of their reduced core inventory. All SFMs used U-10Zr metal fuel enriched to 15 wt% high-assay low-enriched uranium and operated until their respective effective multiplication factor (k eff ) reduced to less than 1 or until the end of their operational lifespan. Sabotage scenarios were simulated at this point, when the fuel inventory within the core contains the highest-level of radioactivity. Radionuclide core inventories were calculated using the SCALE code at shutdown and 3 days post-shutdown. Dose consequence analyses were performed for three sabotage scenarios using the RASCAL tool. As microreactor developers plan for minimal on-site or complete off-site emergency response, it remains essential to evaluate their physical protection needs and potential hazards, including assessing postulated sabotage-induced events that could become more relevant. SFM licensees should identify a credible worst-case, major accident, estimate release source terms, and perform dose consequence analyses to evaluate site-specific physical protection measures. In conclusion, this recommendation supports a risk-informed, performance-based approach, aligning with applicable regulatory requirements, i.e., 10 CFR Parts 100 and 53 rulemaking in the United States.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Electricity Costs and Carbon Implications for CO 2 -to-Fuels in Selected Locations in 2030

With the growing interest in converting carbon dioxide (CO 2 ) to fuels and products to reduce overall greenhouse gas emissions and extend carbon from biogenic and other sources, the development of carbon capture and utilization (CO2U) technologies and industry is crucial. The Markets, Resources, and Environmental and Energy Justice of CO 2 -to-Fuels Technologies (short title: MarkeRs & EEJ) project supports this goal by assessing the resource and market potential and infrastructure requirements for mid-term (-2030) and long-term (-2050) deployment of CO2U technologies. The overall project analyzes CO2U economic and resource requirements as well as sustainability and environmental and energy justice (EEJ) metrics. This report focuses on short-term (-2030) aspects of the project. It identifies three CO2U locations in the Midwestern United States and quantifies the costs for potential electricity resources and marginal emissions for each site in the near term (e.g., 2030). We focus on four electricity purchase options, including retail rate, physical power purchase agreement (PPA), financial PPA, and real-time pricing (RTP), for each of the three sites and consider potential policies such as production tax credits (PTCs). We also assess time-dependent hourly marginal electricity costs and the marginal emission rates using modeled scenarios from Cambium (Gagnon et al. 2021).The results of the analysis are expected to inform other projects within the U.S. Department of Energy's CO 2 -to-Fuels Consortium, especially the Economics and Sustainability of CO 2 Utilization Technologies with Techno-Economic Analysis and Life Cycle Analysis (TEA/LCA) project, led by Michael Wang of Argonne National Laboratory and Ling Tao of the National Renewable Energy Laboratory. The project results are also expected to inform the investment and technology communities and policymakers at the U.S. Department of Energy, state, and regional levels and guide investment by government and industry in research and development portfolios.

09 BIOMASS FUELS↗
DOE OSTI2023

Sources, seasonal cycling, and fate of plutonium in a seasonally stratified and radiologically contaminated pond

Unlike short-term laboratory experiments, studies at sites historically contaminated with radionuclides can provide insight into contaminant migration behavior at environmentally-relevant decadal timescales. One such site is Pond B, a seasonally stratified reservoir within Savannah River Site (SC, USA) has low levels (μBq L –1 ) of plutonium in the water column. Here, we evaluate the origin of plutonium using high-precision isotope measurements, investigate the impact of water column geochemistry on plutonium cycling during different stratification periods, and re-evaluate long-term mass balance of plutonium in the pond. New isotopic data confirm that reactor-derived plutonium overwhelms input from Northern Hemisphere fallout at this site. Two suggested mechanisms for observed plutonium cycling in the water column include: (1) reductive dissolution of sediment-derived Fe(III)-(oxyhydr)oxides during seasonal stratification and (2) plutonium stabilization complexed strongly to Fe(III)-particulate organic matter (POM) complexes. While plutonium may be mobilized to a limited extent by stratification and reductive dissolution, peak plutonium concentrations are in shallow waters and associated with Fe(III)-POM at the inception of stratification. This suggests that plutonium release from sediments during stratification is not the dominant mechanism driving plutonium cycling in the pond. Importantly, our analysis suggests that the majority is retained in shallow sediments and may become increasingly recalcitrant.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Estimation of Fission Product Transport Parameters for Cesium in the AGR-3/4 TRISO Fuel Experiment

A one-dimensional (1D) finite-element model of fission product transport in the AGR-3/4 experiment has been developed using the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and implemented in the fuel performance code, BISON. The model resolves capsule-specific geometries, materials, and temperature histories and simulates radial migration of fission products from the fuel compact through the inner ring, outer ring, and into the sink ring. Model parameters governing diffusion and sorption were estimated for key fission products – cesium (Cs), and europium (Eu) – by simultaneously fitting modeled isotopic concentration profiles and total ring inventories to a post-irradiation experimental measurement. These data include gamma scanning, liquid scintillation for Sr-90, radial deconsolidation leach-burn-leach analysis, tomographic reconstructions, and destructive physical sampling. A mortar-based interfacial sorption framework was implemented to enforce physically consistent mass transfer and flux conservation across gas gaps. Two classes of parameter sets were derived: a least-squares best-fit, and a safety-oriented conservative-fit, what applies strong penalties for underprediction of sink inventories. Across all twelve capsules, the model successfully reproduces the dominant radial transport trends for Cs, Sr, with decreasing concentrations from the compact outward through successive rings. Cs behavior is captured most consistently, while strontium predictions reveal systematic trade-offs between compact accuracy and conservative sink-ring bounding. The results demonstrate that sink ring weighted calibration provides conservative, safety relevant bounds on low temperature fission product transport, but at the cost of underpredicting compact inventories for Sr isotopes. These discrepancies highlight the need for additional physics, including fast-slow diffusion model, incorporating trapping mechanism in the transport behavior. Overall, this work establishes a robust, capsule-specific modeling framework for AGR-3/4 fission product transport and provides a defensible basis for parameter selection in source-term and fuel performance analyses for high temperature gas-cooled reactors.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Novel In-situ Patterning Technique to Fabricate Single Quantum Dots for Quantum Photonics

Photon sources able to emit single or entangled photon pairs are key components in quantum information systems. Semiconductor quantum dots (QDs) are promising candidates due to their high efficiencies and ease of integration with other photonic or electronic components. State-of-the-art QDs, however, are limited to certain emission wavelengths and specific applications due to material choice constraints and their randomness in shape/size. This project is focused on developing a novel in-situ patterning technique to realize QDs with a broad emission range, shape/size control and the ability to emit single/entangled photons. Our approach has two key elements: (1) In-situ patterning via arsenic-induced nanovoid etching on antimonide surfaces and (2) In-filling of nanovoids to form QDs. By closely controlling the experimental conditions, it is shown that this technique can be used to realize III-V QDs in As 2 - etched nanovoids on a GaSb surface. The exposure to As 2 in terms of substrate temperature, time and flux is found to have a significant impact on the process variables such as nanovoid depth, QD dimensions etc. An in-depth analysis of the etch mechanism reveals that by controlling the As 2 exposure, uniform 3-dimensional nanostructures with varying areal densities can be obtained without an in-filling step. Preliminary optical characterization of these nanostructures shows that these QDs may be relevant for realizing emitters in the telecom wavelength range.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Hydrodynamical Simulations of Black Hole Binary Formation in AGN Disks

Abstract We study close encounters between two single black holes (BHs) embedded in an AGN disk using a series of global 2D hydrodynamics simulations. We find that when the disk density is sufficiently high, bound BH binaries can be formed by the collision of their circum-single disks. Our analysis demonstrates that, after a BH pair passes the pericenter of their relative trajectory, post-collision gas drag may slow down the BHs, possibly forcing the two BHs to stay tightly bound. A binary formed by a close encounter can have a compact semimajor axis, large eccentricity, and retrograde orbital angular momentum. We provide a fitting formula that can accurately predict whether a close encounter can form a binary based on the gas mass and the incoming energy of the encounter. This fitting formula can be easily implemented in other long-term simulations that study the dynamical evolution of BHs in active galactic nucleus disks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Prognostic simulations of mixed-phase clouds with model AC-1D v1.0: the impact of aerosol types and freezing parameterizations on ice crystal budgets

Mixed-phase clouds at high latitudes contribute to the uncertainty in predicting cloud feedbacks and climate sensitivity, mainly due to the complexity of microphysical processes that influence the partitioning between the supercooled liquid and ice phases, and hence, cloud radiative effects on regional scales. Particularly in Arctic mixed-phase clouds, the activation of ice-nucleating particles (INPs) from various aerosol populations remains a leading source of uncertainty. We developed an aerosol-cloud one-dimensional (AC-1D) model, which provides a novel framework to prognostically treat INP and ice crystal budgets while explicitly accounting for polydisperse and multicomponent aerosol that activate INPs following different freezing parameterizations. The AC-1D model is informed by large-eddy simulations to probe the impact of INP representation on predicted ice crystal number concentrations (N i ) and ice crystal budgets in mixed-phase Arctic stratus. We apply three immersion freezing (IMF) parameterizations, two time-independent (singular) and one time-dependent (classical nucleation theory), to predict the evolution of the INP reservoir and resulting ice crystal budget from polydisperse mineral dust, organic (humic-like substances), and sea spray aerosol particle size distributions. Our analysis focuses on how variations in aerosol number concentration and cloud system parameters such as cloud cooling rate, cloud-top entrainment rate, and ice crystal fall speed influence the INP reservoir and ice crystal budgets. Furthermore, this study investigates the competitive ice nucleation dynamics in mixed aerosol environments and provides a process-level quantification of the INP budget terms, which directly controls ice crystal budgets. For all studied case scenarios, the aerosol types and associated particle size distributions significantly impact INP and N i , and the choice between a time-dependent and a singular freezing description yields orders-of-magnitude differences in the predicted INP and N i over the 10 h simulation time, reflecting typical cloud lifetimes. Our results show that the influence of cloud cooling, INP entrainment, and sedimentation varies significantly depending on the chosen freezing parameterization. These findings underscore the critical need for robust IMF parameterizations and precise cloud system observations to enhance the accuracy of models in predicting mixed-phase cloud structure and evolution.

Arctic clouds↗
DOE OSTI2021

Salinity Contributions from Geothermal Waters to the Rio Grande and Shallow Aquifer System in the Transboundary Mesilla (United States)/Conejos-Médanos (Mexico) Basin

Freshwater scarcity has raised concerns about the long-term availability of the water supplies within the transboundary Mesilla (United States)/Conejos-Médanos (Mexico) Basin in Texas, New Mexico, and Chihuahua. Analysis of legacy temperature data and groundwater flux estimates indicates that the region’s known geothermal systems may contribute more than 45,000 tons of dissolved solids per year to the shallow aquifer system, with around 8500 tons of dissolved solids being delivered from localized groundwater upflow zones within those geothermal systems. If this salinity flux is steady and eventually flows into the Rio Grande, it could account for 22% of the typical average annual cumulative Rio Grande salinity that leaves the basin each year—this salinity proportion could be much greater in times of low streamflow. Regional water level mapping indicates upwelling brackish waters flow towards the Rio Grande and the southern part of the Mesilla portion of the basin with some water intercepted by wells in Las Cruces and northern Chihuahua. Upwelling waters ascend from depths greater than 1 km with focused flow along fault zones, uplifted bedrock, and/or fractured igneous intrusions. Overall, this work demonstrates the utility of using heat as a groundwater tracer to identify salinity sources and further informs stakeholders on the presence of several brackish upflow zones that could notably degrade the quality of international water supplies in this developed drought-stricken region.

Pepin, Jeff D. (ORCID:0000000274109979)↗
DOE OSTI2024

Galaxy bias in the era of LSST: perturbative bias expansions

Upcoming imaging surveys will allow for high signal-to-noise measurements of galaxy clustering at small scales. In this work, we present the results of the Rubin Observatory Legacy Survey of Space and Time (LSST) bias challenge, the goal of which is to compare the performance of different nonlinear galaxy bias models in the context of LSST Year 10 (Y10) data. Specifically, we compare two perturbative approaches, Lagrangian perturbation theory (LPT) and Eulerian perturbation theory (EPT) to two variants of Hybrid Effective Field Theory (HEFT), with our fiducial implementation of these models including terms up to second order in the bias expansion as well as nonlocal bias and deviations from Poissonian stochasticity. Here, we consider a variety of different simulated galaxy samples and test the performance of the bias models in a tomographic joint analysis of LSST-Y10-like galaxy clustering, galaxy-galaxy-lensing and cosmic shear. We find both HEFT methods as well as LPT and EPT combined with non-perturbative predictions for the matter power spectrum to yield unbiased constraints on cosmological parameters up to at least a maximal scale of k max = 0.4 Mpc -1 for all samples considered, even in the presence of assembly bias. While we find that we can reduce the complexity of the bias model for HEFT without compromising fit accuracy, this is not generally the case for the perturbative models. We find significant detections of non-Poissonian stochasticity in all cases considered, and our analysis shows evidence that small-scale galaxy clustering predominantly improves constraints on galaxy bias rather than cosmological parameters. These results therefore suggest that the systematic uncertainties associated with current nonlinear bias models are likely to be subdominant compared to other sources of error for tomographic analyses of upcoming photometric surveys, which bodes well for future galaxy clustering analyses using these high signal-to-noise data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Evaluation of the 2022 West Nile virus forecasting challenge, USA

Abstract Background West Nile virus (WNV) is the most common cause of mosquito-borne disease in the continental USA, with an average of ~1200 severe, neuroinvasive cases reported annually from 2005 to 2021 (range 386–2873). Despite this burden, efforts to forecast WNV disease to inform public health measures to reduce disease incidence have had limited success. Here, we analyze forecasts submitted to the 2022 WNV Forecasting Challenge, a follow-up to the 2020 WNV Forecasting Challenge. Methods Forecasting teams submitted probabilistic forecasts of annual West Nile virus neuroinvasive disease (WNND) cases for each county in the continental USA for the 2022 WNV season. We assessed the skill of team-specific forecasts, baseline forecasts, and an ensemble created from team-specific forecasts. We then characterized the impact of model characteristics and county-specific contextual factors (e.g., population) on forecast skill. Results Ensemble forecasts for 2022 anticipated a season at or below median long-term WNND incidence for nearly all (> 99%) counties. More counties reported higher case numbers than anticipated by the ensemble forecast median, but national caseload (826) was well below the 10-year median (1386). Forecast skill was highest for the ensemble forecast, though the historical negative binomial baseline model and several team-submitted forecasts had similar forecast skill. Forecasts utilizing regression-based frameworks tended to have more skill than those that did not and models using climate, mosquito surveillance, demographic, or avian data had less skill than those that did not, potentially due to overfitting. County-contextual analysis showed strong relationships with the number of years that WNND had been reported and permutation entropy (historical variability). Evaluations based on weighted interval score and logarithmic scoring metrics produced similar results. Conclusions The relative success of the ensemble forecast, the best forecast for 2022, suggests potential gains in community ability to forecast WNV, an improvement from the 2020 Challenge. Similar to the previous challenge, however, our results indicate that skill was still limited with general underprediction despite a relative low incidence year. Potential opportunities for improvement include refining mechanistic approaches, integrating additional data sources, and considering different approaches for areas with and without previous cases. Graphical Abstract

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Safety Analysis of FeCrAl Accident-Tolerant Fuels with Increased Enrichment and Extended Burnup

The U.S. nuclear industry is facing a strong challenge to maintain regulatory-required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects related to the operation of light water reactor nuclear power plants (NPPs), and it can be achieved more economically by using a risk-informed ecosystem, such as that being developed by the Risk-Informed Systems Analysis Pathway under the U.S. Department of Energy Light Water Reactor Sustainability Program. This program is promoting a wide range of research and development activities to maximize both the safety and economically efficient performance of NPPs through improved scientific understanding, especially given that many plants are considering a second license renewal. The Risk-Informed Systems Analysis Pathway has two main goals: (1) The deployment of methodologies and technologies that enable a better representation of the safety margins and factors that contribute to cost and safety, and (2) The development of advanced applications that enable cost-effective plant operation. As part of this pathway, the Enhanced Resilient Plant project refers to an NPP where safety is improved by implementing various measures, such as accident-tolerant fuels, diverse and flexible coping strategies, enhancements to plant components and systems, incorporation of augmented or new passive cooling systems, and utilization of advanced battery technologies. The objective of the Enhanced Resilient Plant project is to use novel methods and computational tools to enhance existing reactors’ safety while reducing operational costs. This report documents research and development conducted in support of deployment of accident-tolerant fuels. This project performed safety analyses for the steady-state normal operation, anticipated operational occurrences, and design-basis accidents of a representative four-loop pressurized water reactor model with Zr and FeCrAl accident-tolerant fuel clad with higher enrichment and burnup supporting plant refueling cycles of 18 and 24 months. The source terms and environmental impacts were studied for a large-break loss of coolant accident, including uncertainty analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

A robust clustering algorithm for analysis of composition-dependent organic aerosol thermal desorption measurements

Abstract. One of the challenges of understanding atmospheric organic aerosol (OA) particles stems from its complex composition. Mass spectrometry is commonly used to characterize the compositional variability of OA. Clustering of a mass spectral dataset helps identify components that exhibit similar behavior or have similar properties, facilitating understanding of sources and processes that govern compositional variability. Here, we developed an algorithm for clustering mass spectra, the noise-sorted scanning clustering (NSSC), appropriate for application to thermal desorption measurements of collected OA particles from the Filter Inlet for Gases and AEROsols coupled to a chemical ionization mass spectrometer (FIGAERO-CIMS). NSSC, which extends the common density-based special clustering of applications with noise (DBSCAN) algorithm, provides a robust, reproducible analysis of the FIGAERO temperature-dependent mass spectral data. The NSSC allows for the determination of thermal profiles for compositionally distinct clusters of mass spectra, increasing the accessibility and enhancing the interpretation of FIGAERO data. Applications of NSSC to several laboratory biogenic secondary organic aerosol (BSOA) systems demonstrate the ability of NSSC to distinguish different types of thermal behaviors for the components comprising the particles along with the relative mass contributions and chemical properties (e.g., average molecular formula) of each mass spectral cluster. For each of the systems examined, more than 80 % of the total mass is clustered into 9–13 mass spectral clusters. Comparison of the average thermograms of the mass spectral clusters between systems indicates some commonality in terms of the thermal properties of different BSOA, although with some system-specific behavior. Application of NSSC to sets of experiments in which one experimental parameter, such as the concentration of NO, is varied demonstrates the potential for mass spectral clustering to elucidate the chemical factors that drive changes in the thermal properties of OA particles. Further quantitative interpretation of the thermograms of the mass spectral clusters will allow for a more comprehensive understanding of the thermochemical properties of OA particles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Aircraft-derived particle fluxes distinguish entrainment zone and decoupled layer nucleation in marine boundary layers

The vertical distribution of freshly nucleated aerosol particles in the marine boundary layer remains poorly constrained, limiting our ability to represent new particle formation in climate models. Here we characterize 3–10 nm particle events, termed small particle events (SPEs), by deriving their vertical turbulent fluxes from aircraft measurements during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign. To overcome stationarity limitations of traditional eddy covariance methods, we applied continuous wavelet transform analysis to data collected during June–July 2017 and January–February 2018 flights over the Azores. Our flux-based analysis revealed two distinct SPE scenarios with different vertical structures and spatial extents. The first featured nucleation in the entrainment zone, where free tropospheric air entrains into the boundary layer. The second showed nucleation in the decoupled layer, a stratified region between the well-mixed surface layer and cloud-topped upper boundary layer. In both cases, convergence of air masses from different layers diluted preexisting aerosol surface area to very low levels, creating conditions favorable for nucleation and generating strong downward particle fluxes. SPEs occurred in 15 % of flights, challenging prevailing theoretical expectations that new particle formation should rarely occur in marine boundary layers due to high condensation and coagulation sink capacity of sea spray aerosols. Aircraft-derived particle fluxes provide first observational constraints on the vertical location and source strength of likely nucleation regions in the remote marine boundary layer, improving aerosol source representations in climate models and reducing uncertainties in aerosol-cloud interactions.

Rasheeda Satheesh, Ajmal [North Carolina State Uni↗
DOE OSTI2022

On the measurement of S diff splitting caused by lowermost mantle anisotropy

Seismic anisotropy has been detected at many depths of the Earth, including its upper layers, the lowermost mantle and the inner core. While upper mantle seismic anisotropy is relatively straightforward to resolve, lowermost mantle anisotropy has proven to be more complicated to measure. Due to their long, horizontal ray paths along the core–mantle boundary (CMB), S waves diffracted along the CMB (S diff ) are potentially strongly influenced by lowermost mantle anisotropy. S diff waves can be recorded over a large epicentral distance range and thus sample the lowermost mantle everywhere around the globe. S diff therefore represents a promising phase for studying lowermost mantle anisotropy; however, previous studies have pointed out some difficulties with the interpretation of differential SH diff –SV diff traveltimes in terms of seismic anisotropy. Here, we provide a new, comprehensive assessment of the usability of S diff waves to infer lowermost mantle anisotropy. Using both axisymmetric and fully 3-D global wavefield simulations, we show that there are cases in which S diff can reliably detect and characterize deep mantle anisotropy when measuring traditional splitting parameters (as opposed to differential traveltimes). First, we analyze isotropic effects on S diff polarizations, including the influence of realistic velocity structure (such as 3-D velocity heterogeneity and ultra-low velocity zones), the character of the lowermost mantle velocity gradient, mantle attenuation structure, and Earth’s Coriolis force. Secondly, we evaluate effects of seismic anisotropy in both the upper and the lowermost mantle on SH diff waves. In particular, we investigate how SH diff waves are split by seismic anisotropy in the upper mantle near the source and how this anisotropic signature propagates to the receiver for a variety of lowermost mantle models. We demonstrate that, in particular and predictable cases, anisotropy leads to S diff splitting that can be clearly distinguished from other waveform effects. Here, these results enable us to lay out a strategy for the analysis of S diff splitting due to anisotropy at the base of the mantle, which includes steps to help avoid potential pitfalls, with attention paid to the initial polarization of S diff and the influence of source-side anisotropy. We demonstrate our S diff splitting method using three earthquakes that occurred beneath the Celebes Sea, measured at many transportable array stations at a suitable epicentral distance. We resolve consistent and well-constrained S diff splitting parameters due to lowermost mantle anisotropy beneath the northeastern Pacific Ocean.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

An Accelerated Testing and Analysis Framework for Qualification of Battery Materials Part I: A Case Study with LFP Cathodes

The growing demand for batteries used within automotive, aviation, and grid applications has exacerbated the need to supplement critical battery material feedstocks, such as those for anode and cathode active materials. New or supplementary material sources, however, universally comprise unique properties that can affect the lifetime and performance of resultant batteries. Even minor differences between new sources and established supplies can delay qualification, making it difficult for new suppliers to commercialize and resulting in a less resilient supply chain. Accordingly, the influence of composition, microstructure, and morphology on electrochemical performance should be characterized quickly and accurately to accelerate commercialization of new sources. This work introduces a tiered framework to assess new material viability and understand the influence of physicochemical properties on battery performance. The Tier 1 testing described here is rapid and low-effort to recognize materials with fundamental flaws and potentially disqualify them. Later testing would require more effort but provide higher-fidelity information with a goal of application-based validation. A case study examining commercial sources of LiFePO4 (LFP) is presented, using Tier 1 of the protocol to identify rapid electrochemical and physicochemical signals that correlate with performance and provide early go/no-go decisions for LFP materials without requiring long-term cycling.

25 ENERGY STORAGE↗
DOE OSTI2026

Measurements of three-flavor neutrino oscillations from a PISCES two-detector fit to the NOvA Experiment data

NOvA is a long-baseline neutrino oscillation experiment with two functionally identical detectors: a Near Detector (ND) at Fermilab, placed 1 km from the neutrino source, and a Far Detector (FD) located 810 km away from the ND in Minnesota. NOvA s primary physics goals are to measure the neutrino oscillation parameters $\theta_{23}$ and $\Delta m^2_{32}$ with high precision, determine the neutrino mass hierarchy, and constrain the value of $\delta_{CP}$, primarily via the study of muon neutrino to electron neutrino oscillation. Extracting values for oscillation parameters from fits to data usually relies on treating systematic uncertainties as nuisance parameters, a strategy that suffers from poor scalability as the number of uncertainties becomes larger. This work introduces PISCES (Parameter Inference with Systematic Covariance and Exact Statistics), a novel method that circumvents this scalability problem by encoding systematic uncertainties into a covariance matrix. PISCES utilizes a nested minimization in which optimal systematic pulls are first computed using the covariance matrix in an inner minimization step, then the oscillation parameters are profiled over in the outer minimization. PISCES also uses a Poisson Likelihood term, making it ideal for the inclusion of low-statistic samples in the fits. PISCES is a flexible framework that also supports complex fits, such as a joint Near and Far detector fit. In the standard NOvA analysis, oscillation parameters are extracted using an extrapolation technique in which the ND data indirectly constrain the FD prediction via a ratio method. PISCES, on the other hand, enables a simultaneous ND+FD fit, allowing the high-statistics ND data to directly constrain systematic uncertainties across all samples. This thesis presents the full PISCES joint ND+FD fit for the NOvA three-flavor analysis, details its implementation, and evaluates its performance through extensive robustness tests and fake data studies. It also provides a comparison between the PISCES joint ND+FD results and the standard NOvA extrapolation method using the full NOvA 10-year data set. The results demonstrate that PISCES can successfully fit NOvA data while incorporating the constraints from the ND detectors consistently, using physically motivated systematic uncertainties to account for data/MC discrepancies.

Rajaoalisoa, Miriama [Cincinnati U.]↗