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Use of Design of Experiments and Rule-Based Inference in Determining Neural Network Architectures for Loss of Control Detection

In this work, we describe methods for selecting the neural network architectures and input spaces to implement belief state inference on generic commercial transport aircraft. First, we highlight a case study on the planning, execution, and analysis of a set of experiments to determine the configurations of a conditional variational autoencoder (CVAE). We present a structured method that can be used in a number of aerospace applications, to optimize the structure and training parameters of the CVAE for belief state inference, using Design of Experiments (DOE) statistical methodologies. The motivation for this specific DOE was to identify the appropriate hyperparameters for measuring the CVAE reconstruction probability and latent space, such that the measurements can be used to infer qualitative state changes for the aircraft. We demonstrate that this process yields information about a trained neural network’s utility for this specific application, along with a quantifiable range of certainty. We execute 84 experiments using loss-of-control flight maneuver data from a NASA T-2 aircraft, demonstrating that this empirical process allows us to construct cheap and simple models with specific attributes amenable to belief state inference in aerospace applications. While theoretically, we could create a single CVAE with an input space the size of all measurable flight variables and environmental dynamics, it becomes intractable to use such a neural network in an in-situ intelligent multi-agent system. Using the recommendations from our case study, we introduce a technical approach for feasibly describing the belief space by (1) identifying significant statistical relationships among flight variables using rule induction, (2) using a set of rules that cover all features to define the input space of multiple CVAEs, and (3) forming a belief space based on the joint probability density of their collective latent spaces. This results in a series of relatively small matrix multiplications that can be performed in real time, as opposed to large matrix computations in a single CVAE. We demonstrate the application of this approach on the T-2 flight loss-of control experiments, using the architecture and hyperparameter recommendations from the case study. We compare the utilities of an individual CVAE trained on all flight variables and multiple CVAEs defined on subsets of flight variables for detecting qualitative changes in flight. We demonstrate that the use of multiple CVAEs with smaller input spaces permits the CVAE to capture more granular relationships in the latent space, permitting better state space characterization and loss-of-control detection.

Design of experiments↗

Measurement of the U 235 ( n , f ) prompt fission neutron spectrum from 10 keV to 10 MeV induced by neutrons of energy from 1 MeV to 20 MeV

The characterization of fission-driven nuclear systems primarily relies on calculations of neutron-induced chain reactions, and these calculations require evaluated nuclear data as input. Calculation accuracy heavily depends on input nuclear data evaluation accuracy, and thus high precision on the experimental input to the nuclear data evaluation is essential for fundamental quantities like the energy spectrum of neutrons emitted from neutron-induced fission (i.e., the prompt fission neutron spectrum, PFNS). Despite decades of measurement efforts, prior to the measurements described in this work there were only three literature data sets for the 235 U(n,f) PFNS at incident neutron energies above 1.0 MeV considered reliable for inclusion in nuclear data evaluations and no reliable data sets above 3.0 MeV incident neutron energy. In this work we report on new measurements of the 235 U(n,f) PFNS spanning a grid of 1.0–20.0 MeV in incident neutron energy and 0.01–10.0 MeV in outgoing (PFNS) neutron energy. These measurements were carried out at the Weapons Neutron Research facility at the Los Alamos Neutron Science Center and used a multifoil parallel-plate avalanche counter target with both a Li-glass and a liquid scintillator detector array in separate experiments to span the quoted outgoing neutron energy ranges. The PFNS results are shown in terms of the energy spectra themselves as well as the average PFNS energy $(\langle{E}\rangle)$ and ratios of $\langle{E}\rangle$ at forward and backward angles. Here, the results are compared with literature data and selected nuclear data evaluations. Generally, the data agree with the ENDF/B-VIII.0 evaluation below 5.0-MeV incident neutron energy and more closely with the JEFF-3.3 evaluation above 5.0 MeV, though no evaluations considered for comparison in this work agree with the data across all of the incident and outgoing neutron energies shown, especially in regions where the third-chance fission process becomes available. Additionally, we show a ratio of the present PFNS results for 235 U(n, f) with a recent and highly correlated experiment to measure the 239 Pu(n, f) PFNS at the same experimental facility and with nearly identical equipment and analysis procedures. Many observations reported in this work are the first of their kind and represent significant advancements for knowledge of the 235 U(n, f) PFNS.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Geothermal Representation in Power System Models

Power system models generally fail to capture the range of characteristics geothermal resources provide and the value they potentially contribute to decarbonization and reliability of future electricity grids as firm, dispatchable, non-combustion power resources. This study reviews the results of power system modeling efforts to investigate geothermal deployment potential in the United States, including the U.S. DOE GeoVision analysis and ongoing modeling and analysis efforts to support planning and development of future grids with 100% renewable energy in California. Several themes are identified that could be implemented immediately to improve the accuracy of geothermal representation in power system models: consistency of model inputs, modeling of baseload and dispatchable geothermal resources, accurate valuation of grid services, improved representation of capacity factor, use of contemporary LCOE estimates, improved understanding of the evolution of geothermal value, and use of accurate resource potential constraints. Many of the models reviewed produced significantly different amounts of geothermal resource selection - even when modeling the same region and time period. This highlights the variability of inputs and assumptions among models, so creating a consistent set of geothermal inputs is a first step toward more accurate representation of geothermal in models. Research opportunities are identified that could help improve geothermal data inputs in modeling efforts, including analyses of historical data, sensitivity to model inputs, and comparative value of geothermal generators as baseload or dispatchable resources. Outcomes of such research can inform the geothermal community about how best to guide geothermal development toward wider deployment in support of future electricity grids through improved understanding of the evolution of geothermal value over time and the characteristics that contribute to that value.

capacity expansion models↗

Soil carbon change in intensive agriculture after 25 years of conservation management

Changes in soil organic carbon (SOC) and nitrogen (SON) are strongly affected by land management but few long-term comparative studies have surveyed changes throughout the whole soil profile. We quantified 25-year SOC and SON changes to 1 m in 10 replicate ecosystems at an Upper Midwest, USA site. We compared four annual cropping systems in maize (Zea mays)-soybean (Glycine max)-winter wheat (Triticum aestivum) rotations, each managed differently (Conventional, No-till, Reduced input, and Biologically based); in three managed perennial systems (hybrid Poplar (Populus × euramericana), Alfalfa (Medicago sativa), and Conifer (Pinus spp.); and in three successional systems (Early, Mid- and Late succession undergoing a gradual change in species composition and structure over time). Both Reduced input and Biologically based systems included winter cover crops. Neither SOC nor SON changed significantly in the Conventional or Late successional systems over 25 years. All other systems gained SOC and SON to different degrees. SOC accrual was fastest in the Early successional system (0.8 ± 0.1 Mg C ha –1 y –1 ) followed by Alfalfa and Conifer (avg. 0.7 ± 0.1 Mg C ha –1 y –1 ), Poplar, Reduced input, and Biologically based systems (avg. 0.4 ± 0.1 Mg C ha –1 y –1 ), and Mid-successional and No-till systems (0.3 and 0.2 Mg C ha –1 y –1 , respectively). Over the most recent 12 years, rates of SOC accrual slowed in all systems except Reduced input and Mid-successional. There was no evidence of SOC loss at depth in any system, including No-till. Rates of SON accrual ranged from 64.7 to 0.8 kg N ha –1 y –1 in the order Alfalfa ≥ Early successional > Reduced input and Biologically based ≥ Poplar > No-till and Conifer > Mid-successional systems. Pyrogenic C levels in the Conventional, Early, and Late successional systems were similar despite 17 years of annual burning in the Early successional system (~ 15 % of SOC to 50 cm, on average, and ~40 % of SOC from 50 to 100 cm). Results underscore the importance of cover crops, perennial crops, and no-till options for sequestering whole profile C in intensively managed croplands.

60 APPLIED LIFE SCIENCES↗

Moving beyond the Aerosol Climatology of WRF-Solar: A Case Study over the North China Plain

Numerical weather prediction (NWP), when accessible, is a crucial input to short-term solar power forecasting. WRF-Solar, the first NWP model specifically designed for solar energy applications, has shown promising predictive capability. Nevertheless, few attempts have been made to investigate its performance under high aerosol loading, which attenuates incoming radiation significantly. The North China Plain is a polluted region due to industrialization, which constitutes a proper testbed for such investigation. Here, in this paper, aerosol direct radiative effect (DRE) on three surface shortwave radiation components (i.e., global, beam, and diffuse) during five heavy pollution episodes is studied within the WRF-Solar framework. Results show that WRF-Solar overestimates instantaneous beam radiation up to 795.3 W m -2 when the aerosol DRE is not considered. Although such overestimation can be partially offset by an underestimation of the diffuse radiation of about 194.5 W m -2 , the overestimation of the global radiation still reaches 160.2 W m -2 . This undesirable bias can be reduced when WRF-Solar is powered by Copernicus Atmosphere Monitoring Service (CAMS) aerosol forecasts, which then translates to accuracy improvements in photovoltaic (PV) power forecasts. This work also compares the forecast performance of the CAMS-powered WRF-Solar with that of the European Centre for Medium-Range Weather Forecasts model. Under high aerosol loading conditions, the irradiance forecast accuracy generated by WRF-Solar increased by 53.2% and the PV power forecast accuracy increased by 6.8%.

54 ENVIRONMENTAL SCIENCES↗

Riparian vegetation composition and diversity shows resilience following cessation of livestock grazing in northeastern Oregon, USA

Riparian ecosystem restoration has been accomplished through exclusion of livestock using corridor fencing along hundreds of kilometers of streams in the western United States, for the benefit of riparian-obligate wildlife and endangered fishes. Yet, there are limited scientific studies that have evaluated more than short-term shifts in vegetation composition and diversity at a single location or handful of locations following grazing. We sampled riparian vegetation composition along 11-paired grazed and ungrazed (exclosed) stream reaches in northeastern Oregon. Exclosure ages ranged from 2 to >30 years and grazing treatments varied from light grazing every one out of three years to heavy season-long grazing. Species richness and diversity was higher in the ungrazed reaches (p = 0.002). The abundance of native sedges ( Carex spp.) and broad-leaved forbs were also significantly (p ≤ 0.05) greater in ungrazed areas. In contrast, exotic species adapted to grazing such as Poa pratensis and Trifolium repens were more abundant in grazed stream reaches. The prevalence of hydrophytic species significantly increased (p ≤ 0.01) in ungrazed reaches, (based on wetland species indicator scores), indicating that wetland-dominated communities within the ungrazed stream reaches were replacing ones adapted to drier environments. The increased abundance of facultative and wetland-obligate species in ungrazed reaches compared to grazed reaches suggests that livestock grazing exacerbates those climate change effects also leading to warmer and drier conditions. Further, riparian-obligate shrub cover along the streambank was higher in 7 of 8 exclosures that were older than 5 years (p = 0.05). As a restoration approach, the inherent resilience of riparian ecosystems exhibited in ungrazed riparian zones suggest positive feedbacks to other beneficial ecosystem processes such as increased species and habitat diversity, increased carbon sequestration, enhanced allochthonous inputs and greater sediment retention, that would affect the aquatic and terrestrial biota, water quality, and stream morphology.

Kauffman, J. Boone (ORCID:0000000290202815)↗

Daily Ambient Air Pollution Metrics for Five Cities: Evaluation of Data Fusion-Based Estimates and Uncertainties

Spatiotemporal characterization of ambient air pollutant concentrations is increasingly relying on the combination of observations and air quality models to provide well-constrained, spatially and temporally complete pollutant concentration fields. Air quality models, in particular, are attractive, as they characterize the emissions, meteorological, and physiochemical process linkages explicitly while providing continuous spatial structure. However, such modeling is computationally intensive and has biases. The limitations of spatially sparse and temporally incomplete observations can be overcome by blending the data with estimates from a physically and chemically coherent model, driven by emissions and meteorological inputs. We recently developed a data fusion method that blends ambient ground observations and chemical transport-modeled (CTM) data to estimate daily, spatially resolved pollutant concentrations and associatedcorrelations. In this study, we assess the ability of the data fusion method to produce daily metrics (i.e., 1-hr max, 8-hr max, and 24-hr average) of ambient air pollution that capture spatiotemporal air pollution trends for 12 pollutants (CO, NO2, NOx, O3, SO2, PM (sub10), PM (sub 2.5), and five PM (sub 2.5) components) across five metropolitan areas (Atlanta, Birmingham, Dallas, Pittsburgh, and St. Louis), from 2002 to 2008. Three sets of comparisons are performed: (1) the CTM concentrations are evaluated for each pollutant and metropolitan domain, (2) the data fusion concentrations are compared with the monitor data, (3) a comprehensive cross-validation analysis against observed data evaluates the quality of the data fusion model simulations across multiple metropolitan domains. The resulting daily spatial field estimates of air pollutant concentrations and uncertainties are not only consistent with observations, emissions, andmeteorology, but substantially improve CTM-derived results for nearly all pollutants and all cities, with the exception of NO2 for Birmingham. The greatest improvements occur for O3 and PM (sub 2.5). Squared spatiotemporal correlation coefficients range between simulations and observations determined using cross-validation across all cities for air pollutants of secondary and mixed origins are R-squared equal to 0.88-0.93 (O3), 0.81-0.89 (SO4), 0.67-0.83 (PM (sub 2.5)), 0.52-0.72 (NO3), 0.43-0.80 (NH4), 0.32-0.51 (OC), and 0.14-0.71 (PM (sub 10)). Results for relatively homogeneous pollutants of secondary origin, tend to be better than those for more spatially heterogeneous (larger spatial gradients) pollutants of primary origin (NOx, CO, SO2 and EC). Generally, background concentrations and spatial concentration gradients reflect interurban airshed complexity and the effects of regional transport, whereas daily spatial pattern variability shows intra urban consistency in the fused data. With sufficiently high CTM spatial resolution, traffic-related pollutants exhibit gradual concentration gradients that peak toward the urban centers. Ambient pollutant concentration uncertainty estimates for the fused data are both more accurate and smaller than those for either the observations or the model simulations alone.

spatiotemporal fusion↗

A Review: PFAS Adsorption, Sensing, and Remediation with Engineered Nanoporous Materials

Per- and polyfluoroalkyl substances (PFAS) are among the most abundant environmental contaminant species. They are widespread due to uncontrolled industrial and commercial use and have been linked to health risks such as cancer. With rising global concerns about the public health effects of PFAS, there is an incentive to develop strategies for reliable monitoring and effective PFAS removal, particularly in drinking water. Traditional PFAS sensing techniques are inefficient due to long measurement times, high labor input, high costs, and limitations to ex situ analysis. Current commercially available sorbents for PFAS removal generally lack the ability to capture PFAS components rapidly and quantitatively. Furthermore, existing sorbents are notably inefficient in removing the more toxic, smaller PFAS chemical chains. Large-scale applications of these methods tend to be costly and resource-intensive. Pacific Northwest National Laboratory has developed unique strategies for PFAS sensing and removal with capture probe technology that has an affinity for fluorocarbons, including PFAS. For both sensing and removal, the customizable capture probes can target specific PFAS compounds since they used a metal-organic framework (MOF)-based technology that can be fine-tuned and molecularly tailored. This tailoring of the materials enables high PFAS sensitivity, selectivity, and faster uptake. PNNL’s capture probe materials have been developed into a sensing technique based on the interactions of the capture probes with PFAS at the molecular level and further transduced that to a quantifiable electrochemical response. The materials have been integrated into a sensor platform developed by New Jersey Institute of Technology (NJIT). Tunable capture probes with a range of detection sensitivities allow for faster and more sensitive PFAS detection limits as low as what appears to be 0.5 ng/L (compared to the U.S. Environmental Protection Agency health advisory level of 70 ng/L). Customization of the capture probe results in improved sorption capacities (fast kinetics and high capacities) compared to commercial granular activated carbons. This research applied various experimental and modeling tools to improve understanding the molecular level interactions between the sorbents towards PFAS adsorption properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Studying the MLT by a Combined Analysis of SABER/TIMED and Lidar Measurements

The SABER instrument on board the TIMED Satellite is a limb scanning infrared radiometer designed to measure temperature and minor constituent vertical profiles and energetics parameters in the mesosphere and lower thermosphere (MLT). The measurements have been performed continuously since January 25, 2002 to provide excellent coverage for both hemispheres. The Leibniz-Institute of Atmospheric Physics (LAP) at Kuehlungsborn, Germany (54N, 12E) operates two lidar instruments, using three different temperature measurement methods, optimized for three altitude ranges. The total altitude range of the lidar installation lies from 1 to 105 km. Another instrument used for intercomparison is the ALOMAR RMR lidar, located at Andoya, Norway (69N, 16E). We have searched the SABER and lidar datasets for coincidental common volume measurements within plus or minus 1 degree in latitude, plus or minus 2 degrees in longitude and approx. 1 hour in time for the sake of (a) comparison of measured temperatures; (b) validation of the models used in SABER data analysis; and (c) extracting new information about MLT parameters. In this work we applied the non-LTE ALI-ARMS code designed to calculate the nonequilibrium radiance in different viewing geometries to the analysis of measurements which satisfied these search criteria. The results of this analysis (a) support the application of higher value of CO2-O quenching rate (6e-12 cubic centimeters per second) by the non-LTE temperature retrievals from the SABER 15 micrometer limb radiance data, and (b) demonstrate the importance of accounting for the vibrational-vibrational energy exchange among the CO2 isotopes for accurate temperature retrievals. Using temperature profiles obtained in lidar measurements as inputs for the retrieval algorithm we also retrieved the nighttime CO2 densities from the SABER 15 micrometer limb radiances and compared them with the model and climatology CO2 data used in the SABER nighttime temperature retrievals.

Feofilov, A. G.↗

Throughput Optimization of Molybdenum Carbide Nanoparticle Catalysts in a Continuous Flow Reactor Using Design of Experiments

Transition metal carbides (TMCs) have attracted significant attention because of their applications toward a wide range of catalytic transformations. However, the practicality of their synthesis is still limited because of the harsh conditions in which most TMCs are prepared. Recently, a solution-phase synthesis of phase-pure a-MoC1-x nanoparticles was presented. While this synthetic route yielded nanoparticles with exceptional catalytic performance, the reaction parameter space was not explored, and catalyst throughput was not optimized for scale-up. Continuous flow platforms coupled with statistical design of experiments (DoE) can provide a powerful method for understanding the reaction parameter space for optimizations. Here, we demonstrate the use of statistical DoE in tandem with response surface methodology for a parametric screening analysis to optimize the throughput of a MoC1-x nanoparticle synthesis utilizing a millifluidic flow reactor. A full factorial design was implemented to evaluate four input variables (reaction temperature, flow rate, solvent fraction of oleylamine, and precursor concentration) that carry statistically significant effects on three responses (throughput, residence time, and isolated yield). A Doehlert matrix was implemented to investigate each significant variable at a higher number of levels to optimize throughput. Our results give a nonintuitive set of experimental conditions that resulted in an optimized throughput of 2.2 g h-1. This translates to a 50-fold increase in throughput compared to the previously reported batch method. The catalytic performance of the MoC1-x nanoparticles produced under optimized throughput was demonstrated in the CO2 hydrogenation reaction. This DoE screening analysis and throughput optimization of MoC1-x synthesis open the door to an increased feasibility for scale-up.

design of experiments↗

Evaluation of High-Temperature Martensitic Steels for Heavy-Duty Diesel Piston Applications

Five different commercially available high-temperature martensitic steels were evaluated for use in a heavy-duty diesel engine piston application and compared to existing piston alloys 4140 and microalloyed steel 38MnSiVS5 (MAS). Finite element analyses (FEA) were performed to predict the temperature and stress distributions for severe engine operating conditions of interest, and thus aid in the selection of the candidate steels. Complementary material testing was conducted to evaluate the properties relevant to the material performance in a piston. The elevated temperature strength, strength evolution during thermal aging, and thermal property data were used as inputs into the FEA piston models. Additionally, the long-term oxidation performance was assessed relative to the predicted maximum operating temperature for each material using coupon samples in a controlled-atmosphere cyclic-oxidation test rig. A current commercial steel piston alloy, quenched and tempered martensitic steel 4140, was tested in a single-cylinder research engine for a baseline oxidation and mechanical performance assessment using an abbreviated (50h) durability test plan. The predicted suitability of a candidate piston material in an engine is primarily based on its elevated temperature strength, oxidation resistance, and the complex influence of thermal conductivity, the latter of which is substantially lower for the candidate materials considered in this research relative to the traditional alloys. Although the lower thermal conductivity causes the candidate alloys to operate in higher temperature ranges under identical engine operating conditions and piston geometries, increasing the likelihood of partially or completely negating their strength and oxidation resistance advantages relative to 4140 and MAS steels, this evaluation indicates that several of the candidate piston alloys are predicted to enable improved oxidation resistance under more severe engine operating conditions relative to the current piston materials. However, further evaluation is required to determine if the elevated temperature fatigue strength and durability of these alloys are suitable for more severe engine conditions.

36 MATERIALS SCIENCE↗

Physical Processes Controlling the Spatial Distributions of Relative Humidity in the Tropical Tropopause Layer over the Pacific

The spatial distribution of relative humidity with respect to ice (RHI) in the boreal wintertime tropical tropopause layer (TTL, is asymptotically Equal to 14-18 km) over the Pacific is examined with the measurements provided by the NASA Airborne Tropical TRopopause EXperiment. We also compare the measured RHI distributions with results from a transport and microphysical model driven by meteorological analysis fields. Notable features in the distribution of RHI versus temperature and longitude include (1) the common occurrence of RHI values near ice saturation over the western Pacific in the lower to middle TTL; (2) low RHI values in the lower TTL over the central and eastern Pacific; (3) common occurrence of RHI values following a constant mixing ratio in the middle to upper TTL (temperatures between 190 and 200 K); (4) RHI values typically near ice saturation in the coldest airmasses sampled; and (5) RHI values typically near 100% across the TTL temperature range in air parcels with ozone mixing ratios less than 50 ppbv. We suggest that the typically saturated air in the lower TTL over the western Pacific is likely driven by a combination of the frequent occurrence of deep convection and the predominance of rising motion in this region. The nearly constant water vapor mixing ratios in the middle to upper TTL likely result from the combination of slow ascent (resulting in long residence times) and wave-driven temperature variability. The numerical simulations generally reproduce the observed RHI distribution features, and sensitivity tests further emphasize the strong influence of convective input and vertical motions on TTL relative humidity.

Jensen, Eric J.↗

Rare Earth Elements (REE) and Critical Minerals (CM) in Middle Pennsylvanian-Age Coals and Associated Sediments in the Central Appalachian Basin, Eastern U.S.A.

The Central Appalachian Basin (CAB) of Kentucky, Tennessee, West Virginia and Virginia has a long history of coal mining and oil and gas extraction that has empowered the regional and national economies, the development of infrastructure, and a highly trained energy resources work force. As our societal demands for advanced technologies have rapidly increased in recent years, coal-related materials are viewed as an important new unconventional domestic source of critical minerals (CM) that are required for telecommunications, aerospace and transportation industries, electronics, the transition to low-carbon emissions energy production, and many consumer products. Coal-related materials encompass coal, associated sediments, coal mining waste materials, produced waters, and ash residues from coal-fired power plants. An important objective of the Evolve Central Appalachia Project (Evolve CAPP), sponsored by the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL) is to assess the quantity and distribution of CM resources in the CAB region. The rare earth elements (REE) are considered highest priority, although other important CM such as niobium, gallium, and zirconium are known to occur in the Middle Pennsylvanian-age coals and sediments. Working with coal industry partners who provided access to drill cores, coal-related sediments and waste materials, over 600 samples have been collected for laboratory analysis, and over 730 materials have been scanned using portable x-ray fluorescence (pXRF) equipment. The application of pXRF provides the means for real-time semiquantitative analysis of CM content at very close spacings (typically 2-3 inch intervals) along drill core and in-situ channel samples that span the roof, coal seam, and floor rock. The comparison of pXRF geochemical data with laboratory results, geologic data, and downhole spectral gamma logs can provide high resolution input to lithologic and depositional models for future CM resource evaluations. The preliminary findings show that pXRF is capable of accurately measuring low concentrations of many of the CM with a high level of confidence (Ba, Cr, Ga, K, Nb, Rb, Sr, Th, Y), whereas for others (La, Ce, Co, Mn, Nd, Ni, Sc, Ti, V) the detection limits are very high or spectral interferences increase the uncertainty. Notably, the mean abundances of Y (34 ppm), La (86 ppm), Ga (40 ppm), and V (146 ppm) in coal underclays in the CAB region are up to 7X enriched compared with the overlying coal. These values also exceed the reported concentrations in published reference materials for upper continental crustal rocks (Rudnick and Gao, 2003), North American Shale Composite (Gromet et al., 1984), and North American coal (Finkelman, 1993). The pXRF data are in part verified by laboratory results that indicate the mean Y abundance (36 ppm) is highly correlated (R2 = 0.807) with total REE (ΣREE). The correlation is even higher (R2 = 0.957) with heavy REE (ΣHREE). Applying these correlations to the pXRF data for the coal underclays, the mean estimated values for ΣREE+Y and ΣHREE+Y are 270 ppm and 58 ppm, respectively. Although these average values are not considered high, the range of Y measured by pXRF in the coal underclays extended as high as 114 ppm, which would suggest ΣREE+Y equal to 847 ppm. The mean abundances of Zr (192 ppm) and Th (21 ppm) in coal underclays are also enriched compared with the overlying coal and these results likely reflect the presence of resistant detrital heavy minerals such as monazite, xenotime, and zircon in the underclay matrix. Several of the profiled coal seams and associated wall rocks contained thin volcanic ash layers up to 4-5 inches in thickness. The extent to which these ash fall layers provided a source for CM under the paleoenvironmental conditions that resulted in coal deposits in the CAB remains to be fully studied. Continuing investigations in the Evolve CAPP study area will include laboratory determinations of mineralogic and clay compositions, and evaluations of CM geochemical mobility in the coal and coal underclays.

Lassetter, Billy↗

Formation and fate of freshwater on an ice floe in the Central Arctic

The melt of snow and sea ice during the Arctic summer is a significant source of relatively fresh meltwater. The fate of this freshwater, whether in surface melt ponds or thin layers underneath the ice and in leads, impacts atmosphere–ice–ocean interactions and their subsequent coupled evolution. Here, we combine analyses of datasets from the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition (June–July 2020) for a process study on the formation and fate of sea ice freshwater on ice floes in the Central Arctic. Our freshwater budget analyses suggest that a relatively high fraction (58 %) is derived from surface melt. Additionally, the contribution from stored precipitation (snowmelt) outweighs by 5 times the input from in situ summer precipitation (rain). The magnitude and rate of local meltwater production are remarkably similar to those observed on the prior Surface Heat Budget of the Arctic Ocean (SHEBA) campaign, where the cumulative summer freshwater production totaled around 1 m during both. A relatively small fraction (10 %) of freshwater from melt remains in ponds, which is higher on more deformed second-year ice (SYI) compared to first-year ice (FYI) later in the summer. Most meltwater drains laterally and vertically, with vertical drainage enabling storage of freshwater internally in the ice by freshening brine channels. In the upper ocean, freshwater can accumulate in transient meltwater layers on the order of 0.1 to 1 m thick in leads and under the ice. The presence of such layers substantially impacts the coupled system by reducing bottom melt and allowing false bottom growth; reducing heat, nutrient, and gas exchange; and influencing ecosystem productivity. Regardless, the majority fraction of freshwater from melt is inferred to be ultimately incorporated into the upper ocean (75 %) or stored internally in the ice (14 %). Terms such as the annual sea ice freshwater production and meltwater storage in ponds could be used in future work as diagnostics for global climate and process models. For example, the range of values from the CESM2 climate model roughly encapsulate the observed total freshwater production, while storage in melt ponds is underestimated by about 50 %, suggesting pond drainage terms as a key process for investigation.

54 ENVIRONMENTAL SCIENCES↗

Creep-fatigue Behavior and Damage Accumulation of a Candidate Structural Material for Concentrating Solar Power Solar Thermal Receiver (Final Technical Report)

Creep-fatigue deformation is an important consideration for a thermal receiver in Concentrating Solar Power systems due to the constant static stress or pressure, diurnal cycling, and elevated service temperatures required for efficient operation. An accurate description of the creep-fatigue behavior, not available for five of the six candidate materials, is important for assessment of preliminary designs. This project has provided a detailed analysis of the creep-fatigue behavior and damage accumulation of Alloy 740H, a candidate structural material for a CSP solar thermal receiver to address a critical knowledge barrier for receiver designs identified in the CSP Gen3 Demonstration Roadmap. This project was divided in to three tasks, split between two general categories: Experimental and design methodology. Tasks 1 and 3, relating to the collection of data on Alloy 740H plate and sheet forms, respectively, were performed at the Idaho National Laboratory and used as input to Task 2, the development of design methodology performed at Argonne National Laboratory. Experimental work covered limited tensile and creep testing to fill gaps in available data that is currently available and to demonstrate how the plate of Alloy 740H tested in this work compared to historical data. A more substantial testing program for fatigue and creep-fatigue was performed, with particular emphasis on creep-fatigue as there is little available data and it is necessary to understand the creep-fatigue interaction and develop related design models. This effort includes the development of rules for the design of solar receiver components against high temperature creep-fatigue and ratcheting failure modes. The ASME Code rules for high temperature nuclear components was used to the basis of the method but adjustments will be made to reflect the generally shorter, diurnal operating cycles of thermal receivers and the relative consequences of failure, comparing nuclear to solar components. This work has provided guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code and the corresponding design data for Alloy 740H have been developed. A commentary describing the rationale behind the design rules and the data underlying the design material properties, as well as an extensive set of worked sample problems detailing the application of the rules to CSP components were developed as a part of this project, with a separate report covering these aspects in detail and included in the Appendix of this report.

14 SOLAR ENERGY↗

Advanced Modular Power System Fully Populated Electronics Enclosure Thermal Testing

A thermal test of an enclosure housing the AMPS electronics cards was performed. The enclosure was fully populated with 17 nonfunctioning AMPS electronics cards. Heaters were applied to the cards to simulate their operation. A cold plate was installed on the top of the case. The case was then insulated to simulate its installation within an electronics rack with the face and rear of the enclosure left open. The cold plate was connected to a chiller which provided cooling water at a fixed input temperature to the cold plate. Flow rates from the chiller of 0.0 L/min, 1.4 L/min and 1.8 L/min were tested. The test was operated at each flow rate over a range of heater power levels until the steady state temperature of the electronics cards was reached. Heater power levels from 2.5 W/card to 45 W/card were tested. The data collected was used to determine the steady state operating temperature of the cards, the temperature distribution between the cards, the time to reach steady-state temperature, the change in steady state temperature with change in heater power, the temperature distribution between the cards at the steady state condition and the heat lost to the surrounds by the enclosure. One of the main goals of the testing was to determine how much waste heat the cards could generate and still maintain a touch temperature at or below 40°C. Based on this requirement, for the 3 cooling rates tested, the maximum card waste heat that could be generated by each individual card was 3.9 W, 16.3 W and 17.6 W respectively. An analysis was also set up to provide an analytical model to estimate the card temperature under different cold plate flow rates and card heater power levels. The results off the analysis was compared to that of the experiment of the range of flow rates and power levels tested.

Anthony Colozza↗

Two-Nucleon Short-Range Correlations in Light Nuclei

Understanding the nucleon-nucleon interaction is a fundamental task in nuclear physics, as NN interaction models are a crucial input to modern nuclear structure calculations. While great progress has been made toward understanding this interaction, the available state-of-the-art models predict significantly different behaviors at short distances and high momenta (scale-and-scheme dependence), where two-nucleon Short-Range Correlations (SRCs) dominate the nuclear wave function. Thus, SRCs are a unique tool to constrain the NN interaction and vice versa. SRCs are naturallyoccurring high-local-density NN pairs that, as a result of their short-distance (approx. 0.1 fm) repulsive interaction, fly apart with high momenta, hence populating momentum states above the Fermi level. The study of SRCs also has significant implications for other fields, such as the astrophysics of neutron stars and the behavior of cold atomic gasses. This thesis describes experimental and phenomenological studies of the short-distance / high-momentum structure of the NN interaction through the study of SRCs and vice versa. Experimentally, I report the first measurement of the 3He and 3H(e,e'p) reactions in Hall A of the Thomas Jefferson National Accelerator Facility in kinematics in which the measured cross sections should be sensitive to the underlying nucleon momentum distributions in the range 40 to 500 MeV/c. The resulting cross-section ratios and absolute cross sections were compared to momentum-distribution ratios and precise cross-section calculations respectively. Phenomenologically, I report the generalization of the Contact Formalism (GCF) to nuclear systems, which exploits scale separation and universality to describe nucleons at short distances and high momenta.

Cruz Torres, Reynier↗

An Investigation of LES Wall Modeling for Rayleigh–Bénard Convection via Interpretable and Physics-Aware Feedforward Neural Networks with DNS

Abstract The traditional approach of using the Monin–Obukhov similarity theory (MOST) to model near-surface processes in large-eddy simulations (LESs) can lead to significant errors in natural convection. In this study, we propose an alternative approach based on feedforward neural networks (FNNs) trained on output from direct numerical simulation (DNS). To evaluate the performance, we conduct both a priori and a posteriori tests. In the a priori (offline) tests, we compare the statistics of the surface shear stress and heat flux, computed from filtered DNS input variables, to the stress and flux obtained from the filtered DNS. Additionally, we investigate the importance of various input features using the Shapley additive explanations value and the conditional average of the filter grid cells. In the a posteriori (online) tests, we implement the trained models in the System for Atmospheric Modeling (SAM) LES and compare the LES-generated surface shear stress and heat flux with those in the DNS. Our findings reveal that vertical velocity, a traditionally overlooked flow quantity, is one of the most important input features for determining the wall fluxes. Increasing the number of input features improves the a priori test results but does not always improve the model performance in the a posteriori tests because of the differences in input variables between the LES and DNS. Last, we show that physics-aware FNN models trained with logarithmic and scaled parameters can well extrapolate to more intense convection scenarios than in the training dataset, whereas those trained with primitive flow quantities cannot. Significance Statement The traditional near-surface turbulence model, based on a shear-dominated boundary layer flow, does not represent near-surface turbulence in natural convection. Using a feedforward neural network (FNN), we can construct a more accurate model that better represents the near-surface turbulence in various flows and reveals previously overlooked controlling factors and process interactions. Our study shows that the FNN-generated models outperform the traditional model and highlight the importance of the near-surface vertical velocity. Furthermore, the physics-aware FNN models exhibit the potential to extrapolate to convective flows of various intensities beyond the range of the training dataset, suggesting their broader applicability for more accurate modeling of near-surface turbulence.

54 ENVIRONMENTAL SCIENCES↗