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NASA NTRSDate not supplied

Computationally Guided Development of Components for High Energy Density Solid-State Lithium-Sulfur Batteries

All electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The most challenging of these technical barriers to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria1. The performance metrics for eVTOL craft, such as specific energy, specific power, and safety, exceed those of electric automobiles by a factor of two to four. Current state-of-the-art (SOA) lithium-ion batteries are incapable of meeting the key performance criteria of energy and safety for eVTOL. Therefore, next generation advanced chemistries and designs must be developed to meet required performance metrics for electric aviation2. Beyond lithium-ion chemistries, such as lithium-sulfur, show promise in their high energy, while limitations exist in their power and cyclability due to low electrical conductivity and high intermediate solubility in organic liquid electrolytes. Several strategies to overcome the low electrical conductivity involve the use of selenium as a dopant in the active sulfur material, along with the incorporation of 2-dimensional electron-conducting holey-graphene to improve the composite cathodes electronic conductivity. Furthermore, combining this chemistry with a solid-electrolyte avoids the components’ dissolution issues3. However, the development of composite solid-state cathodes is non-trivial as several components must be intimately mixed so that the active component has sufficient access to both electrons and lithium ions to undergo full electrochemical conversion. Mathematical modeling of battery components can assist experimental design through a robust and rigorous combination of computational modeling techniques covering multiple length scales. The objective is to leverage modern computational materials methods combined with battery multiphysics tools to develop radically advanced compatible cathode and electrolyte materials, build and test solid state lithium-sulfur cells and packs. A NASA-based cross-organizational team of high-powered experts combined integrated computational predictive modeling, fundamental chemistry analysis, advanced material science, and battery cell development to tackle this very challenging, multidisciplinary problem. This presentation will show a multiscale computational modeling approach that has produced a novel particle dynamics method called Solid Electrolyte Sphere Approximation Model (SESAM). SESAM modeling targets the 1-10 µm scale structures and provides electromechanical and grain interactions for predictive design guidelines for the manufacturing of solid-state components. Parameters such as particle size and volume fraction of the constituent materials were modeled and experimentally fabricated to optimize electrochemical performance through improved microstructure design. Experimental feedback was provided through ionic and electronic conductivity assessment and structural analysis of developed materials and cell components.

battery↗

DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NOx during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

02 PETROLEUM↗

DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NO x during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

42 ENGINEERING↗

DOE OSTI2023

Tools for Assessing Performance (TAP) Project: FY2023 Quarter 2 Report

LANL personnel presented TAP-sponsored work at the 103 rd Annual Meeting of the American Meteorological Society, which was held in Denver, CO in January 2023. There were four different presentations related to TAP-sponsored work that were given by LANL staff and studentsat this meeting: (1) Gloeckler, T., M. Nelson, H. Shah, M. Deshler, L. Wedell, R. Linn, N. Duboc, S. Pol, P. Bieringer, A. Annunzio, B. Martin, and H. Tinnesand, 2023. Testing Validity and Limitations of a Low-Order Diffusive Wake Model. 15 th Symposium on the Urban Environment, January 8-12, 2023, Denver, CO, U.S.A. (2) Nelson, M., H. Shah, T. Gloeckler, M. Deshler, L. Wedell, A. Ortega, R. Linn, N. Duboc, P. Conry, S. Pol, and H. Tinnesand, 2023. The Isolated Building Wake Experiment. Paper 1A.1. 24 th Symposium on Boundary Layers and Turbulence, January 8-12, 2023. Denver, CO, U.S.A. (3) Shah, H., M. Nelson, S. Pol, R. Linn, N. Duboc, and H. Tinnesand, 2023. Detailed Measurement of a Building Wake Under Real-World Atmospheric Conditions. Poster 102. 24 th Symposium on Boundary Layers and Turbulence, January 8-12, 2023, Denver, CO, U.S.A. (4) Wedell, L., M. Nelson, H. Shah, T. Gloeckler, M. Deshler, R. Linn, S. Pol, H. Tinnesand, 2023. The Isolated Building Wake Experiment: Using a Rotating Building to Mulitply the Number of Wake Measurement Locations without Moving the Instruments. Paper 1A.4A. 24 th Symposium on Boundary Layers and Turbulence, January 8-12, 2023, Denver, CO, U.S.A.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

A Framework for Optimal Placement of Rooftop Photovoltaic: Maximizing Solar Production and Operational Cost Savings in Residential Communities

Optimizing the placement of photovoltaic (PV) panels on residential buildings has the potential to significantly increase energy efficiency benefits to both homeowners and communities. Strategic PV placement can lower electricity costs by reducing the electricity fed from the grid during on-peak hours, while maintaining PV panel efficiency in terms of the amount of solar radiation received. In this article, we present a framework that identifies the ideal location of PV panels on residential rooftops. Our framework combines energy and environmental simulation, parametric modeling, and optimization to inform PV placement as it relates to and affects the entire community (in terms of both energy use and financial cost), as well as individual buildings. Ensuring that our framework accounts for shading from nearby buildings, different utility rate structures, and different buildings’ energy demand profiles means that existing communities and future housing developments can be optimized for energy savings and PV efficiency. The framework comprises two workflows, each contributing to optimal PV placement with a unique target: (a) maximizing PV panel efficiency (i.e., solar generation) and (b) minimizing operational energy cost considering utility rate structures for operational energy. We apply our framework to a residential community in Fort Collins, Colorado, to demonstrate the optimal PV placement, considering the two workflow targets. Here, we present our results and illustrate the effect of PV location and orientation on solar energy production efficiency and operational energy cost.

14 SOLAR ENERGY↗

NASA NTRS2012

Overview of the 2010 Carbonaceous Aerosols and Radiative Effects Study (CARES)

Substantial uncertainties still exist in the scientific understanding of the possible interactions between urban and natural (biogenic) emissions in the production and transformation of atmospheric aerosol and the resulting impact on climate change. The US Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program's Carbonaceous Aerosol and Radiative Effects Study (CARES) carried out in June 2010 in Central Valley, California, was a comprehensive effort designed to improve this understanding. The primary objective of the field study was to investigate the evolution of secondary organic and black carbon aerosols and their climate-related properties in the Sacramento urban plume as it was routinely transported into the forested Sierra Nevada foothills area. Urban aerosols and trace gases experienced significant physical and chemical transformations as they mixed with the reactive biogenic hydrocarbons emitted from the forest. Two heavily-instrumented ground sites - one within the Sacramento urban area and another about 40 km to the northeast in the foothills area - were set up to characterize the evolution of meteorological variables, trace gases, aerosol precursors, aerosol size, composition, and climaterelated properties in freshly polluted and "aged" urban air. On selected days, the DOE G-1 aircraft was deployed to make similar measurements upwind and across the evolving Sacramento plume in the morning and again in the afternoon. The NASA B-200 aircraft, carrying remote sensing instruments, was also deployed to characterize the vertical and horizontal distribution of aerosols and aerosol optical properties within and around the plume. This overview provides: (a) the scientific background and motivation for the study, (b) the operational and logistical information pertinent to the execution of the study, (c) an overview of key observations and initial findings from the aircraft and ground-based sampling platforms, and (d) a roadmap of planned data analyses and focused modeling efforts that will facilitate the integration of new knowledge into improved representations of key aerosol processes and properties in climate models.

aerosols↗

DOE OSTI2020

Optimal Efficiency and Operational Cost Savings: A Framework for Automated Rooftop PV Placement

Residential energy consumers are charged based on a utility rate structure, such as net metering or feed-in tariff. To lower consumers' electricity bills, expensive batteries are deployed to reduce the electricity fed from the grid during peak hours. However, strategic photovoltaic (PV) panel placement enables the reduction of operational energy cost while considering the spatial feasibility and efficiency for hosting rooftop PV. In this paper, we present a framework to automatically identify the optimal location of rooftop PV panels on residential buildings. Our framework integrates multiple workflows, including energy and environmental simulation, parametric modeling, and optimization to identify the ideal location of PV panels to balance the demand and supply at a building and community scale. These workflows are linked using the Grasshopper plug-in for Rhinoceros CAD software. The framework includes two different workflows, each satisfying a target for optimal PV placement: (a) maximizing PV panel efficiency, where users aim to maximize energy generation, and (b) minimizing operational energy cost, where "best'' panels are selected considering utility rates for operational energy cost. Our framework is demonstrated in a residential community in Fort Collins, Colorado, to generate the optimal PV placement for each of the two aforementioned targets. Results from the two workflows are compared to illustrate the effect of PV location and orientation on solar energy production efficiency and operational energy cost. The developed workflows are introduced as tools within the Grasshopper plug-in to investigate the solar potential of rooftop PV panels while taking into account factors such as contextual shading, utility rate structures, and buildings' energy demand profiles.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2023

Hydrated doped-BaZrO 3 proton conductors studied by positron annihilation lifetime spectroscopy

The study of defect chemistry for doped BaZrO 3 proton conductors is of particular interest because of defect interactions that can affect the proton conductivity of the material. Protons incorporated due to the material's hydration can be trapped by negatively charged immobile dopants, reducing proton mobility. The reduction of the proton conduction impedes using BaZrO 3 materials in energy conversion applications at intermediate temperatures (300°C – 600°C). The probing of proton trapping in doped BaZrO 3 is hindered by the limited availability of techniques sensitive to defect chemistries. In this work, we used positron annihilation lifetime spectroscopy (PALS) to study the defect chemistry of Y-doped and Sc-doped BaZrO 3 . Using a two-state positron trapping model we showed that PALS can be used to study the defect chemistry of hydrated dense proton conductors. Positron trapping rates and lifetimes were correlated with doping levels of the materials. Probability significance t-tests were carried out for PALS parameters to verify whether there are differences/similarities for various populations: non-doped/doped, level and type of doping, high temperature, and surface effects. Further, the results revealed that the initial doping generates a significant number of traps available for positrons. Doping in yttrium increased the positron trapping rate, while this effect was not observed with scandium. Low-temperature hydration affects specimens significantly inhibiting positron trapping at undoped BaZrO 3 material and highly doped specimens. Positronium formation in rough surface layers, and highly doped specimens was detected but does not exceed 1%.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Simulation Studies for an Urban Air Mobility Aircraft using Hardware-In-Loop Experiments

Urban Air Mobility seeks to transport passengers, deliver cargo, and provide emergency transportation in major metropolitan areas. This will be accomplished with distributed electric-powered vertical takeoff and landing aircraft. The low specific energy of the current generation lithium-ion battery packs limit the operational range of electric aircraft. Limited range impacts safety by reducing the time available for analyzing and responding to errors and failures, and limiting the ability to fly to an alternative landing area or return to base. It is therefore critical to understand flight operational and environmental conditions that impact the onboard lithium-ion polymer battery pack’s health. With this as the motivation, experimental procedure in a laboratory setting, and results of the experiments performed on battery packs subject to power draw corresponding to power required during the different phases of flight of a NASA conceptual quadrotor aircraft in simulation are described. The fully charged battery is allowed to discharge at specific C-rates based on the power draw profile and the current and voltages are recorded. Observed results under different operating conditions and mission profiles are discussed.

UAM↗

DOE OSTI2024

Quantifying the Value of Technology and Policy Innovation in Water Resource Portfolios

Abstract Recent water infrastructure planning models demonstrate that explicitly accounting for hydrological changes in long‐term water planning reduces costs and increases system robustness. However, current models do not consider the effects of other changes occurring in the system over long time horizons, namely technology and policy innovation. By leveraging state‐of‐the‐art dynamic control techniques, we propose a suite of tools that explicitly relate hydrologic change, technology innovation, and policy interventions to system‐level water costs. We design robust and cost‐optimal strategies for water supply expansion under hydrological variability and hundreds of plausible innovation states, for example, treatment cost and diversification improvements, deployment times, and demand reduction campaigns. Our approach circumvents the need to pre‐assign probabilities to innovation scenarios and, instead, directly calculates the effects of technology, policy, and hydrology variations on system cost and planning strategies to identify avenues of impactful innovation. These tools can support technology development hubs, urban, state, and federal water planners in anticipating cost implications of technology and policy innovation at the local level, and prioritizing high‐impact innovation goals based on quantitative targets. Results for the case study of Santa Barbara, California identify high‐value innovation attributes for the city as well as combinations of innovation attributes across technologies and policies, and quantify their potential utility cost reductions.

13 HYDRO ENERGY↗

DOE OSTI2021

Dark and Bright Excitons in Halide Perovskite Nanoplatelets

Semiconductor nanoplatelets (NPLs), with their large exciton binding energy, narrow photoluminescence (PL), and absence of dielectric screening for photons emitted normal to the NPL surface, could be expected to become the fastest luminophores amongst all colloidal nanostructures. However, super-fast emission is suppressed by a dark (optically passive) exciton ground state, substantially split from a higher-lying bright (optically active) state. Here, the exciton fine structure in 2-8 monolayer (ML) thick Cs n - 1 Pb n Br 3n + 1 NPLs is revealed by merging temperature-resolved PL spectra and time-resolved PL decay with an effective mass model taking quantum confinement and dielectric confinement anisotropy into account. This approach exposes a thickness-dependent bright-dark exciton splitting reaching 32.3 meV for the 2 ML NPLs. The model also reveals a 5-16 meV splitting of the bright exciton states with transition dipoles polarized parallel and perpendicular to the NPL surfaces, the order of which is reversed for the thinnest NPLs, as confirmed by TR-PL measurements. Accordingly, the individual bright states must be taken into account, while the dark exciton state strongly affects the optical properties of the thinnest NPLs even at room temperature. Significantly, the derived model can be generalized for any isotropically or anisotropically confined nanostructure.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Establishing robust correction schemes for improved and reliable ARM-AOS aerosol optical data products

Aerosol light absorption and scattering of solar radiation play an important role in the earth’s atmosphere in terms of direct and semi-direct radiative forcing. Optical parameters of importance to the US Department of Energy (DOE) climate models include absorption and scattering coefficients, single scattering albedo (SSA), absorption Angstrom exponents (AAE), and the asymmetry parameter (g). These parameters depend on aerosol size, shape and composition (refractive index), and are spectrally sensitive in the shortwave region. Additionally, these parameters have a complex dependency on the emission source, especially for carbonaceous aerosols. The DOE Atmospheric Radiation Measurement (ARM) user facility has deployed aerosol observing systems (AOS) containing several filter-based instruments to measure and constrain aerosol optical properties and related parameters at multiple sites worldwide. For measurement of aerosol light absorption, the AOS includes filter-based instruments (particle soot absorption photometer and tricolor absorption photometer) that infer particle-phase aerosol absorption coefficients at nominal red, green, and blue wavelength bands from the attenuation (ATN) of light passing through a particulate filter on which aerosols are deposited. Measurement of aerosol scattering is done in situ using nephelometers. By combining inferred absorption coefficients from filter-based ATN measurements and in situ scattering coefficients, value-added products (VAPs) such as SSA, AAE, and g are derived.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2012

Burning Questions in Gravity-Dependent Combustion Science

Building upon a long history of spaceflight and ground based research, NASA's Combustion Science program has accumulated a significant body of accomplishments on the ISS. Historically, NASAs low-gravity combustion research program has sought: to provide a more complete understanding of the fundamental controlling processes in combustion by identifying simpler one-dimensional systems to eliminate the complex interactions between the buoyant flow and the energy feedback to the reaction zone to provide realistic simulation of the fire risk in manned spacecraft and to enable practical simulation of the gravitational environment experienced by reacting systems in future spacecraft. Over the past two decades, low-gravity combustion research has focused primarily on increasing our understanding of fundamental combustion processes (e.g. droplet combustion, soot, flame spread, smoldering, and gas-jet flames). This research program was highly successful and was aided by synergistic programs in Europe and in Japan. Overall improvements were made in our ability to model droplet combustion in spray combustors (e.g. jet engines), predict flame spread, predict soot production, and detect and prevent spacecraft fires. These results provided a unique dataset that supports both an active research discipline and also spacecraft fire safety for current and future spacecraft. These experiments have been conducted using the Combustion Integrated Rack (CIR), the Microgravity Science Glovebox and the Express Rack. In this paper, we provide an overview of the earlier space shuttle experiments, the recent ISS combustion experiments in addition to the studies planned for the future. Experiments in combustion include topics such as droplet combustion, gaseous diffusion flames, solid fuels, premixed flame studies, fire safety, and super critical oxidation processes.

Urban, David↗

DOE OSTI2022

Flexible Siting Criteria and Staff Minimization for Micro-Reactors

The economic potential of micro-reactors is vast and underestimated. Commonly-emphasized applications include niche markets such as remote communities, mines and military bases. However, micro-reactors could be used as flexible energy generators also for larger markets, such as mobile and containerized agriculture and manufacturing facilities, district heating, micro-grids for data centers, sea ports, airports and hospitals. The implication is that micro-reactors may have to be deployed also in non-remote locations. Successful implementation of micro-reactors needs a navigable and predictable licensing process, technology-appropriate siting restrictions, risk-informed emergency and safety requirements, and practical operating and maintenance requirements. The primary goal of this project was to develop siting criteria that are tailored to micro-reactors deployable in densely-populated areas, e.g., urban environments. To achieve that goal, we compared the characteristics of the MIT research reactor (MITR) with those of leading micro-reactor concepts (e.g., eVinci, USNC, Aurora), and evaluated whether and how the MITR design basis (e.g., inherent safety features, engineered safety systems, source term, emergency planning and emergency operating procedures) and associated regulations may be applicable to these new micro-reactors as well. What makes MITR a unique analogue in this context is its small power rating (6 MWt) and physical size, mode of operations (24/7 with a somewhat more commercial flavor than typical university reactors), and especially its urban location. Of course significant differences exist, such as mission (power production vs. research) and the reactor design itself. Leveraging the MITR experience, this project was able to generate criteria that will allow micro-reactors to realize their full economic potential as flexible heat and electricity generators for a diverse portfolio of applications in non-remote locations. As such, the outcome of this project might encourage investment in and use of micro-reactors. A second goal of the project was to conceptualize a model of operations for micro-reactors that would minimize the staffing requirements, and thus reduce the cost of electricity and heat generated by these systems. Here too our approach was to systematically review the MITR experience and requirements, as well as survey the innovations in autonomous control technologies and monitoring (e.g., advanced sensors, drones, robotics, AI) that would permit a dramatic reduction in staffing at future micro-reactor installations. The scope of work was expanded after the start date to include also an evaluation of micro-reactor security, using the so-called consequence-based analysis, and the development of a methodology to perform dynamic risk assessment for micro-reactors, using system theory and modeling and simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Anthropogenic Pathways for Modeling and Managing Future Arctic Fires

Wildland fires, including extreme fire events and seasons, are becoming more common in the boreal and Arctic regions due to climate change. Current climate modeling approaches do not include country- or region-specific socioeconomic pathways that specifically address the drivers of and potential mitigation techniques for wildland fires. Forest management, energy extraction, and tourism, together with firefighting capacity and readiness as well as fuels treatment, can have a significant impact on future wildland fire risks and impacts. To assess the impacts of anthropogenic factors and to align with previous work done on shared socioeconomic pathways (SSPs), climate pathways for future wildfires up to 2050 were created for the states that compose the original Arctic Council countries: Canada, the United States, the Kingdom of Denmark, Iceland, Sweden, Norway, and Finland as well as the Russian Federation (with whom the other seven countries withdrew participation from in May 2022 due to the invasion and ongoing war in Ukraine). High and low fire activity and risk pathways for all states comprising the Arctic were made, with expert ‘best guess’ pathways for each state created separately to represent the middle of road. The low activity and low fire risk pathways, named “We Got This”, assume active fire suppression via citizenry participation and official land management, efficient and extensive fuel treatments, and consistent and active wildland firefighting for each new ignition. The high activity and high fire risk pathways, named “Let It Burn”, assume nearly the opposite, due to lack of government and community response and no action on climate change drivers that increase wildland fire risk. The ‘best guess’ pathway, named “The Fire Will Come”, indicates that some countries are currently on the pathway for less fire compared to other Arctic and Boreal states but not a ‘no-fire’ future. For example, in the Nordic countries, human ignition sources from tourism, timber and energy extraction, summer cottages, and expanding wildland-urban intermix due to exurban growth may increase. In North America, these same risks will apply but also may see an expansion of agriculture that increases the likelihood of open burning in croplands. Drier fuel condition and extreme heat events due to climate change create favorable conditions for extreme wildfires from any ignition source. Throughout the Arctic and boreal lightning is expected to increase, increasing the risk of tundra fires in addition to forest fires in hard-to-reach locations that are more difficult to coordinate and execute wildland firefighting. To move the future Arctic fire SSPs forward, several short-term and long-term actions must be completed. Certain data needs are required, like a harmonized pan-Arctic and pan-boreal fuels geospatial product, while also a need to refine and socialize current definitions of fire seasons and fire management – including developing an open-source system to track and share innovation, mitigation, and adaptation strategies across Arctic states.

Arctic↗

NASA NTRSDate not supplied

Airborne Lidar Measurements of Ozone and Aerosol Profiles Over Major US Metropolitan Areas

During field missions in 2021 and 2023, the airborne NASA Langley Research Center High Spectral Resolution Lidar 2 (HSRL 2) measured the temporal and spatial evolution of ozone and aerosol distributions impacting urban air quality over the four most populated cities in the United States. HSRL-2 measurements in 2021 were acquired over the Houston metropolitan region, including Galveston Bay and the Houston Ship Channel, as part of the NASA Tracking Aerosol Convection Experiment – Air Quality (TRACER-AQ) mission conducted in collaboration with the Department of Energy. HSRL-2 measurements were acquired over Los Angeles, Chicago, and New York City in 2023 as part of the NASA Synergistic TEMPO Air Quality Science (STAQS) mission conducted in collaboration with the NOAA Atmospheric Emissions and Reactions Observed from Megacities to Marine Areas (AEROMMA) mission. HSRL 2 provided nadir vertical profiles of ozone, aerosol backscatter, extinction, and depolarization as the aircraft flew lawnmower type patterns at 9 km for several hours over these urban areas. HSRL-2 measured profiles of aerosol extinction and aerosol optical depth (AOD) via the HSRL technique at 355 and 532 nm and profiles of aerosol backscatter and depolarization at 355, 532, and 1064 nm. Mixed Layer Heights (MLH) were derived by locating sharp vertical gradients in the profiles of aerosol backscatter. The flights were comprised of up to three repeating lawnmower patterns over each city showing the evolution of the ozone and aerosol distributions from the morning through the afternoon. The HSRL-2 measurements reveal ozone enhancements near the surface as well as in the free troposphere above the mixed layer. Some lidar measurements over Chicago and New York City show the daytime boundary layer growing into elevated layers of biomass burning aerosol. These layers complicate efforts to use column-integrated satellite measurements to infer surface air quality. As expected, mixed layer height (MLH) typically increased significantly during the day; however, during some flights, particularly over the Houston area, MLH also showed large spatial variability associated with changes in surface cover and/or small scale circulations. Often HSRL-2 measurements of AOD also showed large spatial and temporal variability throughout the day over these cities. We discuss how the ozone and aerosol profiles are averaged over different vertical and horizontal scales near the surface for use in assessments of regional air quality models and near-surface ozone retrievals from NASA’s recently launched Tropospheric Emissions: Monitoring Pollution (TEMPO) satellite.

Lidar↗

NASA NTRSDate not supplied

HSRL-2 Observations over the Houston, TX Region during TRACER-AQ

Lidar↗

DOE OSTI2026

Thermo-hydro-mechanical analysis of subsurface ice-based thermal energy storage

Ice-based thermal energy storage systems are widely utilized for cooling and managing peak electrical demand globally, offering daily or weekly storage capabilities for both individual homes and larger office buildings. However, scaling these systems for district-level cooling or integrating them with renewable energy sources presents challenges, especially in accommodating larger volumes and addressing seasonal storage requirements in densely populated urban areas. This paper proposes a novel solution by evaluating subsurface ice-based thermal energy storage, in which the underground is subjected to seasonal freeze/thaw cycles. However, these cycles may influence ground behavior, affecting pore pressure and inducing ground movement. To systematically investigate these challenges, we enhance the TOUGH-FLAC simulator by integrating water/ice phase change capabilities and updating the effective stress–strain constitutive relation. Both modifications are validated against analytical solutions or experimental data. Through numerical simulations spanning a decade with ten seasonal freeze/thaw cycles, we evaluate the performance and long-term stability of a generic subsurface ice-based thermal energy storage system, considering factors such as ground permeability, freezing pipe spacing, freeze/thaw damage, and glycol solution temperature. The simulations indicate that ice formation induces pore pressure variations that drive seasonal surface heave and settlement, controlled by ground permeability, pipe spacing, and glycol solution temperature, along with tensile and localized shear deformation around freeze pipes. This highlights the need for accurate ground property characterization and geomechanical analysis for subsurface ice-based thermal energy storage.

Ground freezing↗