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Advancing Enhanced Raman Spectroscopy to Detect and Measure NOW Pheromones (CPRB 2022 proposal)

Insect sex pheromones are chemical compounds that insects release to attract their partners over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. These pheromone-based strategies can include monitoring, mating disruption, mass trapping, attract-and-kill and push-pull. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can be effectively used to reduce crop damage by this pest. Just how mating disruption works is not fully established and likely varies across products and target species. For instance, the extent to which synthetic pheromones compete with natural pheromone is not well understood, or in the case of monitoring, how efficaciously the insect follows the diffusing plumes, especially across large blocks and at plot borders. Furthermore, there may be specific conditions under which poor or impeded diffusion of synthetic pheromone diminishes the disruption effect, which could result in some males effectively locating females for reproduction. At the same time, many commercially available synthetic lures are also available, and growers have been effectively using them to track population development – although the attractive range of these lures remains unclear. That is, while pheromone lures can attract many moths, the relationship between trap capture and local populations, much less crop damage, remains unclear. Regardless of the emission source (aerosol puffers, meso emitters, lures etc.), we currently lack the ability to fully understand how these synthetic pheromone compounds diffuse away from their point-source of emission – and subsequently how this might affect the efficacy of mating disruption and/or the accuracy of monitoring efforts. Raman spectroscopy (RS) may offer a means to detect synthetic pheromone because of its analytical properties and recent technological advancements. In combination with nanostructured probes, RS has a demonstrated capability to detect volatiles at extremely low concentrations. While other methods for detecting pheromones have proven to be successful, such analytical methods like mass spectrometry (MS) gas chromatography (GC) require sampling in the fields and are not real-time. Other methods such as EAG/ EAD are also invasive (use antennas) but are of course valuable. Opto-electronic, micro and nano sensors just recently enticed interest. We fall in this latter category, proposing the use of optical spectroscopy (Raman) in a fiber aided by nanostructures to provide a chemical fingerprint without transductions and in real-time (i.e. no sampling). To date, we have been able to generate Raman signatures for the main chemicals in synthetic pheromones (a first for science, to the best of our knowledge), observe their trends at different concentrations, and also provide a clear distinction of such signatures in mixed samples via Principal Component Analysis (PCA) – all of which strengthens our conclusions on the ability of RS to detect emissions in more realistic conditions. We also established processes to enhance the detection sensitivity via preconcentration with Solid Phase Micro Extraction (SPME) fibers and Surface Enhanced Raman Spectroscopy (SERS) to increase the overall optical signals. Furthermore, we explored limitations and requirements for detecting from dispensers, lures, or live moths, including Dept. of Energy and CA State regulatory approvals. Finally, we setup some of our first “orchard in a box” experiments to measure pheromone diffusion along with developing appropriate models.

42 ENGINEERING↗

Natural Language Processing for Text Based Event Extraction: Identifying Events of Interest Related to Worldwide State-Sponsored Civil Nuclear Power

Beginning in FY20, SRNL was funded by the National Nuclear Security Administration’s Office of Defense Nuclear Non-Proliferation Research and Development to develop a prototype natural language processing/natural language understating machine learning-based modeling and analysis pipeline to extract and forecast events of interest from massive open data sources. The working hypothesis within the approach is that contextual shifts in key words and phrases act as indicators of events of interest over time. Therefore, by identifying points in time where contextual shifts occur, events of interest can be extracted along with explicit and implicit connections of entities and activities. The development of the preliminary prototype pipeline proved successful, meriting further testing of the pipeline on more broad topical domains and in a worldwide data environment. Therefore, SRNL, in collaboration with the Sanghani Center for Artificial Intelligence and Data Analytics at Virginia Tech, have continued development with a test case of identifying events of interest related to worldwide state-sponsored civil nuclear power in open data sources. In the first year of this follow-on effort, the team has curated domain-specific data corpuses using an automated scheme and applied the modeling and analysis pipeline. This robust, focused, and efficient approach consists of an ensemble of analyses applied to time dependent word embedding models that are trained on the data corpuses. In this report, the team has demonstrated the capability of the existing pipeline (as development has continued in parallel) by exploring several specific case-studies centered around Rosatom’s international activities regarding the planning, construction, operation, and/or shutdown of nuclear reactors. A basic timeline events has been generated by manually cataloging known “milestone” events that have occurred at reactors in Turkey, Finland, Hungary, and Egypt and compared with the output of the modeling pipeline. In this approach, the team has characterized the lead time using the prototype pipeline, as well as the ability to capture relevant information, which proved 100% successful. A deep dive example of the Akkuyu reactor (Turkey) is presented that shows the breadth of information that can be captured using the approach. In this case study, events were extracted pertaining to the planning/construction of Akkuyu including protests from the population, information campaigns in response to the protests, forged regulatory documents and lawsuits, budgetary/shareholder information, geopolitical tensions, and the various construction milestones. This has demonstrated the pipeline’s utility as a research aid or real-time event extraction tool, where summary-level information and detailed text extractions from millions of articles or Tweets across long time periods can be generated with significantly less effort than current techniques.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Temperature-Staged Thermal Energy Storage Enabling Low Thermal Exergy Loss Reflux Boiling in Full Spectrum Solar Systems

Hybrid full spectrum solar systems (FSSS) designed to capture and convert the full solar wavelength spectrum use hybrid solar photovoltaic/thermodynamic cycles that require low thermal exergy loss systems capable of transferring high thermal energy rates and fluxes with very low temperature differentials and losses. One approach to achieving this capability are high-heat-flux reflux boiling systems that take advantage of high heat transfer boiling and condensation mechanisms. Advanced solar systems are also intermittent by their nature and their electrical generation is often out-of-phase with electric utility power demand, and their required power system cycling reduces efficiency, performance (dispatch ability), lifetime, and reliability. High temperature thermal energy storage (TES) at 300-600°C enables these reflux boiling systems to simultaneously store thermal energy internally to increase the energy dispatch ability of the associated solar system, as this can increase the power generation profile by several hours (up to 6-10 hours) per day. Many TES phase change materials (PCM’s) exist including KNO3, NaNO3, LiBr/KBr, MgCl2/NaCl/KCl, Zn/Mg, and CuCl/NaCl, which have various operating melting points and different latent heats of fusion. Common, cost effective TES PCM's are FeCl2/NaCl/KCl mixtures, whose phase change temperature can be varied and controlled by simple composition adjustments. This paper presents and discusses unique "temperature-staged" thermal energy storage configurations using these TES materials and analysis of such systems integrated into high-heat-flux reflux boiling systems. In this specific application, the TES materials are designed to operate at staged temperatures surrounding an operating design point near 350°C, while providing 18 kW of source heat transfer to operate a thermoacoustic power system during off-sun conditions (e.g., temporary cloud conditions, after sun-down). This work discusses relevant configurations, and critical thermal and entropy models of the TES configurations, which show the inherent minimization of thermal exergy during critical heat transfers within the configurations and systems envisioned.

Hendricks, Terry J.↗

Energy Intensity Baselining and Tracking Guidance

Each company joining the U.S. Department of Energy’s (DOE’s) Better Buildings, Better Plants Program (Better Plants) commits to establishing an energy consumption and energy intensity (EI) baseline and to tracking its energy performance over a 10-year period against that baseline. The baseline must reflect a company’s energy consumption over a 12-month period, covering all its U.S.-based operations. Energy consumption is calculated by fuel type in terms of primary energy (also known as source energy). EI is broadly defined as the amount of energy consumed per unit of output produced. For this guidance document and for the program, the term energy performance represents an evaluation of a facility’s capacity to use energy efficiently. Metrics used to assess a facility’s energy performance can include EI, energy consumption, improvements in EI, etc. Establishing an energy baseline and tracking system is a critical first step in effectively managing energy use. Developing a baseline can help a company understand energy use within the corporation and give it a point of comparison to evaluate future efforts to improve energy performance. It can also support efforts to validate a company’s energy management activities, improve comparative analyses when using benchmarks, and help in predicting future energy needs. In addition, a company that normalizes its performance data can determine highly defensible measures of energy savings generated through implemented energy efficiency projects. Establishing a baseline and tracking energy performance is also a requirement for ISO 50001 certification. Although basic energy data can be collected through utility bills, most manufacturers will have to perform additional analyses to develop accurate and robust energy baselines and tracking systems. Energy is consumed in many ways within the manufacturing sector and can come from multiple sources. Energy is sometimes generated and sold to other parties or captured and reused on-site. External events can exert a significant impact on a facility or company’s energy use independent of any purposeful efforts to improve energy efficiency. Operational changes, such as production shifts—which may be inevitable for some companies over the 10-year period covered by the program—can also make a big difference in energy use. Since Better Plants asks companies to account for all their U.S.-based operations, mergers, acquisitions, and divestitures can also have significant implications for a company’s energy metrics. This document aims to demystify the sometimes complex baselining process. It devotes special attention to the task of normalizing and adjusting energy consumption to account for external factors, such as weather and production changes. A key recommendation is that companies use regression analysis to normalize their energy consumption data whenever possible. Regression analysis is a statistical technique that estimates the dependence of a variable (i.e., energy use in the context of Better Plants) on one or more independent variables such as ambient temperature, while controlling for the influence of other variables at the same time. A properly developed regression analysis can provide a reliable estimate of energy savings resulting from energy improvement strategies and projects by accounting for the effects of variables such as annual production levels and weather. DOE has developed a companion Energy Performance Indicator software tool (EnPI) to simplify the baselining process. This tool can run regression models, calculate changes in EI at the facility level, and automatically compile facility-level data into a corporate-wide metric. Note that although the relevant equations used to calculate EI are provided in this document, the EnPI tool will automatically perform most calculations for the user. Additionally, Better Plants Partners (Partners) can call on their Technical Account Manager (TAM) to help them establish a baseline and assist with the necessary calculations to track progress.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Task 12 Sustainability - Methodological Guidelines on Net Energy Analysis of Photovoltaic Electricity (2nd Edition)

Net Energy Analysis (NEA) is a structured, comprehensive method of quantifying the extent to which a given energy source is able to provide a net energy gain (i.e., an energy surplus) to the end user, after accounting for all the energy losses occurring along the chain of processes that are required to exploit it (i.e., for its extraction, processing and transformation into a usable energy carrier, and delivery to the end user), as well as for all the additional energy 'investments' that are required in order to carry out the same chain of processes. However, this general framework leaves the individual practitioner with a range of choices that can affect the results and thus, the conclusions of a NEA study. The current IEA PVPS guidelines were developed to provide guidance on assuring consistency, balance, and quality to enhance the credibility and reliability of the results from photovoltaic (PV) NEAs. The guidelines represent a consensus among the authors - PV NEA experts in North America and Europe - for assumptions made on PV performance, process inputs and outputs, methods of analysis, and reporting of the results. Guidance is given on photovoltaic-specific parameters used as inputs in NEA and on choices and assumptions in inventory data analysis and on implementation of modelling approaches. A consistent approach towards system modelling, the functional unit, the system boundaries and allocation aspects enhance the credibility of PV electricity NEA studies and enables balanced NEA-based comparisons. Specifically, "apples-to-oranges" comparisons of different energy carriers (e.g., fuels vs. electricity) are not methodologically sound and are to be avoided in all cases; also, any comparison across renewable and non-renewable electricity generation technologies must clearly point out the intrinsically short-term nature of the NEA viewpoint, which does not capture the long-term sustainability implications of renewable vs. non-renewable primary energy harvesting and use: non-renewable primary energy resources are depleted and finally exhausted (irrespective of the size of the EROI), while renewable primary energy resources are not. This document provides an in-depth discussion of a common metric of NEA, namely the energy return on investment (EROI), and how this is to be interpreted vis-a-vis the deceptively similar-sounding metrics in the field of Life Cycle Assessment (LCA): cumulative energy demand (CED) and non-renewable cumulative energy demand (nr-CED) per unit output. Specifically, a number of key differences are highlighted between these metrics as applied to electricity production systems, which are listed in Table S-1.

14 SOLAR ENERGY↗

DeepSZ: identification of Sunyaev–Zel’dovich galaxy clusters using deep learning

Galaxy clusters identified via the Sunyaev–Zel’dovich (SZ) effect are a key ingredient in multiwavelength cluster cosmology. In this paper, we present and compare three methods of cluster identification: the standard matched filter (MF) method in SZ cluster finding, a convolutional neural networks (CNN), and a ‘combined’ identifier. We apply the methods to simulated millimeter maps for several observing frequencies for a survey similar to SPT-3G, the third-generation camera for the South Pole Telescope. The MF requires image pre-processing to remove point sources and a model for the noise, while the CNN requires very little pre-processing of images. Additionally, the CNN requires tuning of hyperparameters in the model and takes cut-out images of the sky as input, identifying the cut-out as cluster-containing or not. We compare differences in purity and completeness. The MF signal-to-noise ratio depends on both mass and redshift. Our CNN, trained for a given mass threshold, captures a different set of clusters than the MF, some with signal-to-noise-ratio below the MF detection threshold. However, the CNN tends to mis-classify cut-out whose clusters are located near the edge of the cut-out, which can be mitigated with staggered cut-out. We leverage the complementarity of the two methods, combining the scores from each method for identification. The purity and completeness are both 0.61 for MF, and 0.59 and 0.61 for CNN. The combined method yields 0.60 and 0.77, a significant increase for completeness with a modest decrease in purity. We advocate for combined methods that increase the confidence of many low signal-to-noise clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

Survival of Organic Materials in Ancient Cryovolcanically-Produced Halite Crystals

Spectroscopic evidence supports the presence of Mg-Na-K salts derived from cryovolcanism on the surface of Europa. Halite (NaCl) is effective at very long-term preservation of organic phases and structures. Collection of salt crystals from Europan plumes would provide solid inclusions of organics, potentially also biomaterials, all suitable for analysis. Two thermally-metamorphosed ordinary chondrite regolith breccias (Monahans 1998 (H5) and Zag (H3-6)) contain fluid and solid inclusion-bearing halite crystals, dated to approximately 4.5 billion years, and thus the trapped aqueous fluids and solids are at least as old. Heating/freezing studies of the aqueous fluid inclusions in these halites demonstrated that they were trapped near 25 degrees Centigrade, and their continued presence in the halite grains requires that their incorporation into the H chondrite asteroid occurred after that body's metamorphism ended, since heating would have dessicated the halite. O and H isotopes of the trapped fluids are consistent with mixing of asteroidal and cometary water. Cryovolcanic Origin of the Halite: We hypothesize that these meteoritic halites derive from ancient cryovolcanism based on the following points. (1) Salts crystals are observed as products of current cryovolcanism on Enceladus. (2) In-situ spacecraft analysis of some of the icy grains associated with the Enceladus salt found minor organic or siliceous components, including methane, also found in the Monahans halite. (3) Cryovolcanic fluids are observed to be in chemical disequilibrium, reflecting incomplete reactions between interior volatiles and rocky materials. The coexistence of N2 and HCN in Enceladus' cryovolcanic fluids requires that the plume consists of a mixture of materials whose sources experienced different degrees of aqueous processing, including primordial material trapped in ice that has not been in contact with liquid water. The observed mineral assemblage within the Monahans and Zag halites is also far from equilibrium. Cryovolcanoes on Ceres are a potential source of our halite, however the processes that form halite should also be operating within Europa. Dissolution of Monahans halite grains has revealed a remarkable variety of organics, which dominate the population of solid inclusions. Thermal alteration of this macromolecular carbon (measured by Raman spectroscopy) shows remarkable diversity. We have identified highly-condensed aromatics, diamond, carbonates and chloromethane. Light organic compounds like methane tend to be water soluble and require cold formation temperatures at high hydrogen fugacity - i.e. require water ice. Another indication that these halites have not been heated is that light organics readily volatilize or aromaticize into PAHs. We are currently analyzing the organics by Raman and C-XANES, and measuring the content and exploring the potential chirality of amino acids in the halite. Implications for Europa Plumes: Organic materials and structures erupted by a Europa cryovolcano should be similarly preserved within halite, and other salts, which will be a convenient form for capture and analysis, since halite will serve to encapsulate and protect the organics from spacecraft contamination. Also, being transparent at many wavelengths halite will permit analysis by spacecraft-mounted spectroscopic techniques. In addition, halite is readily dissolved, permitting further analysis of entrained organics.

Zolensky, M.↗

Energy-effective and low-cost carbon capture from point-sources enabled by water-lean solvents

Aqueous amines, as the most mature carbon capture technology, are subject to high energy and cost penalties due to the large water content in their formulations. Emerging technologies are in demand to enable a transition to a low-carbon global economy. However, rigorous process modeling and techno-economic analyses are limited for emerging carbon capture technologies. Here, four CO 2 -Binding Organic Liquids (CO 2 BOLs), all water-lean solvents were presented as promising options towards energy-effective and low-cost carbon capture from point sources. Rigorous solvent property and process models were developed in Aspen Plus for a coal-fired power plant with CO 2 BOL-based carbon capture unit. Techno-economic analyses were conducted in 2018 US pricing basis. The results suggest that water-lean formulations can minimize water condensation and vaporization, leading to a 36% energy saving compared with aqueous amines. Indeed, these CO 2 BOLs can capture up to 97–99% CO 2 from coal fired plant. The estimated carbon capture cost is about $40/tonne CO 2 at 90–97% carbon capture rate, about 12–23% less expensive than the conventional aqueous amine technology. The comparison between these CO 2 BOLs showed that in addition to vapor liquid equilibrium and kinetics (key properties for aqueous solvents), viscosity, volatility, and hydrophobicity, also have strong impacts on the performance of water-lean solvents. The methods presented in this work can be used to evaluate other emerging carbon capture technologies, while the results linking costs and performance of carbon capture solvents with their properties. Additionally, this work identifies research directions and targets for further reductions in total costs of capture from either cost or energy perspectives for these leading water-lean solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kinetic model describing self-limiting CO 2 diffusion in supported amine adsorbents

A reaction–diffusion shrinking core model describing the decay in diffusivity of supported amine sorbents upon CO 2 sorption under both simulated direct air capture and point source capture conditions is described. The decay in CO 2 diffusivity is associated with crosslinking in the aminopolymer samples and general pore blockage in the amino-silane derived samples, which occurs as CO 2 is adsorbed. The model is used to extract four kinetic parameters that govern the CO 2 uptake kinetics and working capacity: an apparent reaction rate constant, an initial effective diffusivity, and two dimensionless decay parameters. Ideally, an initially reaction limited system would allow for direct determination of the intrinsic reaction rate constant; however, sorption experiments suggest mass transfer resistances related to gas mixing, external boundary layers and intraparticle diffusion are present. Reaction rate constants are determined and agree well with theoretical values predicted with the Eyring equation parameterized using density functional theory energies from literature sources. The kinetic performance is expressed as the average effective diffusivity as a function of average conversion, which can be correlated to the dispersion of sorption sites on the support and the morphology of the active sorbent phase. Four supports are impregnated or grafted with amines, SBA-15, single-walled zeolite nanotubes (ZNT), Syloid SiO 2 , and γ-Al 2 O 3 . Due to its pore structure, γ-Al 2 O 3 supported amines can be modeled at the μm scale or at the nm scale, where the shell balance is on the μm-sized macroporous particle aggregate or on the nm-sized amine film on the surface of the Al 2 O 3 nanoparticles, which comprise the spherical particle aggregates. Faster diffusion rates are maintained under 400 ppm rather than 10% CO 2 due to a slower reaction rate giving a slower decay in diffusivity. In conclusion, this work provides a first principles kinetic analysis of CO 2 sorption where previous models are semi-empirical and use arbitrary kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards a Robust Sampling Approach: A Computational Review and Design

As pointed out in several other works, the estimation of the reliability of the electrical grid can not be conducted without the estimation of the stochastic phenomena of electicity demand and electricity production by variable renewable sources. Therefore, sampling procedures have become integral in the design of engineering structures and analysis. Commonly referred to as Monte Carlo uncertainty analysis or integration, the general objective of these procedures is to establish specifics about the uncertainty of an output characteristic of such an engineering system, given uncertainty about its input characteristics. These sampling procedures are applied in a context in which establishing such specifics cannot be performed through other means. Variance-reduction techniques are designed to lessen the variability among estimators to estimate statistics of those output uncertainties. Importance-sampling techniques, on the other hand, are designed to reduce the number of samples needed to estimate a particular statistic—e.g., a tail probability. The combination of these approaches can reduce the computational burden considerably for a particular estimator and statistic. Importance sampling—geared and designed as it is toward improving a particular estimator—suffers, unfortunately, from the unintended consequence of reducing the performance of other estimators in terms of their variance. The objective of this paper is to offer an alternative sampling procedure where this variance does not grow unacceptably large for a suite of estimators. Moreover, it is anticipated that, with additional knowledge of how an engineering output characteristic responds to its input characteristics, tuning parameters of the input’s sampling procedure can be set to improve the output characteristic’s estimation. This work proves the effectiveness of the suggested alternative approach. Such positive outcome will lead to a decrease of the computational burden of performing stochastic optimization of integrated energy systems (e.g., components dispatch, and portfolio composition). In particular, capturing the contribution to the overall system cost of rare and unlikely events and patterns of the electricity demand and production will become less computationally expensive. This is due to the fact that the approach demonstrated here will allow the sampling of those rare occurrences more frequently without misrepresenting their probabilistic impacts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Verification of the Solar Dynamics Observatory High Gain Antenna Pointing Algorithm Using Flight Data

The Solar Dynamics Observatory (SDO) is a NASA spacecraft designed to study the Sun. It was launched on February 11, 2010 into a geosynchronous orbit, and uses a suite of attitude sensors and actuators to finely point the spacecraft at the Sun. SDO has three science instruments: the Atmospheric Imaging Assembly (AIA), the Helioseismic and Magnetic Imager (HMI), and the Extreme Ultraviolet Variability Experiment (EVE). SDO uses two High Gain Antennas (HGAs) to send science data to a dedicated ground station in White Sands, New Mexico. In order to meet the science data capture budget, the HGAs must be able to transmit data to the ground for a very large percentage of the time. Each HGA is a dual-axis antenna driven by stepper motors. Both antennas transmit data at all times, but only a single antenna is required in order to meet the transmission rate requirement. For portions of the year, one antenna or the other has an unobstructed view of the White Sands ground station. During other periods, however, the view from both antennas to the Earth is blocked for different portions of the day. During these times of blockage, the two HGAs take turns pointing to White Sands, with the other antenna pointing out to space. The HGAs handover White Sands transmission responsibilities to the unblocked antenna. There are two handover seasons per year, each lasting about 72 days, where the antennas hand off control every twelve hours. The non-tracking antenna slews back to the ground station by following a ground commanded trajectory and arrives approximately 5 minutes before the formerly tracking antenna slews away to point out into space. The SDO Attitude Control System (ACS) runs at 5 Hz, and the HGA Gimbal Control Electronics (GCE) run at 200 Hz. There are 40 opportunities for the gimbals to step each ACS cycle, with a hardware limitation of no more than one step every three GCE cycles. The ACS calculates the desired gimbal motion for tracking the ground station or for slewing, and sends the command to the GCE at 5 Hz. This command contains the number of gimbals steps for that ACS cycle, the direction of motion, the spacing of the steps, and the delay before taking the first step. The AIA and HMI instruments are sensitive to spacecraft jitter. Pre-flight analysis showed that jitter from the motion of the HGAs was a cause of concern. Three jitter mitigation techniques were developed to overcome the effects of jitter from different sources. The first method is the random step delay, which avoids gimbal steps hitting a cadence on a jitter-critical mode by pseudo-randomly delaying the first gimbal step in an ACS cycle. The second method of jitter mitigation is stagger stepping, which forbids the two antennas from taking steps during the same ACS cycle in order to avoid constructively adding jitter from two antennas. The third method is the inclusion of an instrument No Step Request (NSR), which allows the instruments to request a stoppage in gimbal stepping during the times when they are taking images. During the commissioning phase of the mission, a jitter test was performed onboard the spacecraft. Various sources of jitter, such as the reaction wheels, the High Gain Antenna motors, and the motion of the instrument filter wheels, were examined to determine the level of their effect on the instruments. During the HGA portion of the test, the jitter amplitudes from the single step of a gimbal were examined, as well as the amplitudes due to the execution of various gimbal rates. These jitter levels are compared with the gimbal jitter allocations for each instrument. Additionally, the jitter test provided insight into a readback delay that exists with the GCE. Pre-flight analysis suggested that gimbal steps scheduled to occur during the later portion of an ACS cycle would not be read during that cycle, resulting in a delay in the telemetered current gimbal position. Flight data from the jitter test confirmed this expectation. Analysis is presentehat shows the readback delay does not have a negative impact on gimbal control. The decision was made to consider implementing two of the jitter mitigation techniques on board the spacecraft: stagger stepping and the NSR. Flight data from two sets of handovers, one set without jitter mitigation and the other with mitigation enabled, were examined. The trajectory of the predicted handover was compared with the measured trajectory for the two cases, showing that tracking was not negatively impacted with the addition of the jitter mitigation techniques. Additionally, the individual gimbal steps were examined, and it was confirmed that the stagger stepping and NSRs worked as designed. An Image Quality Test was performed to determine the amount of cumulative jitter from the reaction wheels, HGAs, and instruments during various combinations of typical operations. In this paper, the flight results are examined from a test where the HGAs are following the path of a nominal handover with stagger stepping on and HMI NSRs enabled. In this case, the reaction wheels are moving at low speed and the instruments are taking pictures in their standard sequence. The flight data shows the level of jitter that the instruments see when their shutters are open. The HGA-induced jitter is well within the jitter requirement when the stagger step and NSR mitigation options are enabled. The SDO HGA pointing algorithm was designed to achieve nominal antenna pointing at the ground station, perform slews during handover season, and provide three HGA-induced jitter mitigation options without compromising pointing objectives. During the commissioning phase, flight data sets were collected to verify the HGA pointing algorithm and demonstrate its jitter mitigation capabilities.

Bourkland, Kristin L.↗

Application of a Near Infrared Imaging System for Thermographic Imaging of the Space Shuttle during Hypersonic Re-Entry

High resolution calibrated near infrared (NIR) imagery was obtained of the Space Shuttle s reentry during STS-119, STS-125, and STS-128 missions. The infrared imagery was collected using a US Navy NP-3D Orion aircraft using a long-range infrared optical package referred to as Cast Glance. The slant ranges between the Space Shuttle and Cast Glance were approximately 26-41 nautical miles at point of closest approach. The Hypersonic Thermodynamic Infrared Measurements (HYTHIRM) project was a NASA Langley led endeavor sponsored by the NASA Engineering Safety Center, the Space Shuttle Program Office and the NASA Aeronautics Research Mission Directorate to demonstrate a quantitative thermal imaging capability. HYTHIRM required several mission tools to acquire the imagery. These tools include pre-mission acquisition simulations of the Shuttle trajectory in relationship to the Cast Glance aircraft flight path, radiance modeling to predict the infrared response of the Shuttle, and post mission analysis tools to process the infrared imagery to quantitative temperature maps. The spatially resolved global thermal measurements made during the Shuttle s hypersonic reentry provides valuable flight data for reducing the uncertainty associated with present day ground-to-flight extrapolation techniques and current state-of-the-art empirical boundary-layer transition or turbulent heating prediction methods. Laminar and turbulent flight data is considered critical for the development of turbulence models supporting NASA s next-generation spacecraft. This paper will provide the motivation and details behind the use of an upgraded NIR imaging system used onboard a Navy Cast Glance aircraft and describe the characterizations and procedures performed to obtain quantitative temperature maps. A brief description and assessment will be provided of the previously used analog NIR camera along with image examples from Shuttle missions STS-121, STS-115, and solar tower test. These thermal observations confirmed the challenge of a long-range acquisition during re-entry. These challenges are due to unknown atmospheric conditions, image saturation, vibration etc. This provides the motivation for the use of a digital NIR sensor. The characterizations performed on the digital NIR sensor included radiometric, spatial, and spectral measurements using blackbody radiation sources and known targets. An assessment of the collected data for three Space Shuttle atmospheric re-entries, STS-119, STS-125, and STS-128, are provided along with a description of various events of interest captured using the digital NIR imaging system such as RCS firings and boundary layer transitions. Lastly the process used to convert the raw image counts to quantitative temperatures is presented along with comparisons to the Space Shuttle's onboard thermocouples.

Zalameda, Joseph N.↗

CHESS 2025: Orthorectified airborne RGB imagery from NEON AOP surveys

This dataset provides Level 1 (L1) and Level 3 (L3) orthorectified Red-Green-Blue (RGB) imagery collected for the 2025 Colorado Headwaters Ecological Spectroscopy Study (CHESS). This high-resolution imagery is a photographic record of red, green, and blue visible light from sunlight reflected off of the Earth’s surface. The data comprise full-color images of the ground surface and are primarily intended to provide context to imaging spectroscopy and light detection and ranging (LiDAR) data. The data were acquired over three study domains in the Upper Gunnison river basin: the upper East River watershed (CRBU); Almont Triangle and Taylor Canyon (ALMO); and Upper Taylor River watershed (UPTA) between 2025-06-13 and 2025-07-15. RGB images were acquired using the PhaseOne IXM-RS150F high-resolution digital camera onboard the National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP). The package data include both an L1 product comprising one camera frame per file and an L3 mosaic aligned to the Universal Transverse Mercator (UTM) Zone 13N grid and the World Geodetic System (WGS) 84 projection. Both products are provided in geotif (.tif) format at 0.1 m ground resolution. The bulk of the imagery was collected during the main CHESS field campaign from June 13 to July 15, 2025. Additional images of a portion of the Upper Taylor (UPTA) domain were collected on September 18, 2025, to fill gaps in imagery identified after the main campaign was complete. RGB camera imagery is not radiometrically calibrated, and therefore pixel values should not be exploited for scientific analysis. Pixel values have undergone a manual adjustment to enhance feature identification. The imagery is rigorously geolocated which does allow for reliable geometric information to be retrieved. To generate the orthorectified imagery, the NEON AOP camera captured visible spectrum in red, green, and blue bands. The raw images were then processed using NEON’s camera orthorectification workflow. A boresight calibration flight was made to build a complete camera, distortion, and alignment model. Color balance/white balance and exposure correction were applied to the raw RGB images. The corrected images were orthorectified by ray-tracing image pixels to a lidar-derived digital surface model (DSM) mesh using the refined camera model, outputting orthorectified raster pixels on a regular grid. Flightline-level data were mosaicked by selecting per-pixel contributions from overlapping orthorectified images using line-of-sight (LOS) zenith angle minimization to reduce edge distortions. CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

2018 NEON and 2025 CHESS Campaigns↗

Computational Modeling of the Ames 11-Ft Transonic Wind Tunnel in Conjunction with IofNEWT

Technical advances in Computational Fluid Dynamics have now made it possible to simulate complex three-dimensional internal flows about models of various size placed in a Transonic Wind Tunnel. TWT wall interference effects have been a source of error in predicting flight data from actual wind tunnel measured data. An advantage of such internal CFD calculations is to directly compare numerical results with the actual tunnel data for code assessment and tunnel flow analysis. A CFD capability has recently been devised for flow analysis of the NASA/Ames 11-Ft TWT facility. The primary objectives of this work are to provide a CFD tool to study the NASA/Ames 11-Ft TWT flow characteristics, to understand the slotted wall interference effects, and to validate CFD codes. A secondary objective is to integrate the internal flowfield calculations with the Pressure Sensitive Paint data, a surface pressure distribution capability in Ames' production wind tunnels. The effort has been part of the Ames IofNEWT, Integration of Numerical and Experimental Wind Tunnels project, which is aimed at providing further analytical tools for industrial application. We used the NASA/Ames OVERFLOW code to solve the thin-layer Navier-Stokes equations. Viscosity effects near the model are captured by Baldwin-Lomax or Baldwin-Barth turbulence models. The solver was modified to model the flow behavior in the vicinity of the tunnel longitudinal slotted walls. A suitable porous type wall boundary condition was coded to account for the cross-flow through the test section. Viscous flow equations were solved in generalized coordinates with a three-factor implicit central difference scheme in conjunction with the Chimera grid procedure. The internal flow field about the model and the tunnel walls were descretized by the Chimera overset grid system. This approach allows the application of efficient grid generation codes about individual components of the configuration; separate minor grids were developed to resolve the model and overset onto a main grid which discretizes the interior of the tunnel test section. Individual grid components axe not required to have mesh boundaries joined in any special way to each other or to the main tunnel grid. Programs have been developed to rotate the model about the tunnel pivot point and rotation axis, similar to that of the tunnel turntable mechanism for adjusting the pitch of the physical model in the test section.

Djomehri, M. Jahed↗

Nominal 30-M Cropland Extent Map of Continental Africa by Integrating Pixel-Based and Object-Based Algorithms Using Sentinel-2 and Landsat-8 Data on Google Earth Engine

A satellite-derived cropland extent map at high spatial resolution (30-m or better) is a must for food and water security analysis. Precise and accurate global cropland extent maps, indicating cropland and non-cropland areas, is a starting point to develop high-level products such as crop watering methods (irrigated or rainfed), cropping intensities (e.g., single, double, or continuous cropping), crop types, cropland fallows, as well as assessment of cropland productivity (productivity per unit of land), and crop water productivity (productivity per unit of water). Uncertainties associated with the cropland extent map have cascading effects on all higher-level cropland products. However, precise and accurate cropland extent maps at high spatial resolution over large areas (e.g., continents or the globe) are challenging to produce due to the small-holder dominant agricultural systems like those found in most of Africa and Asia. Cloud-based Geospatial computing platforms and multi-date, multi-sensor satellite image inventories on Google Earth Engine offer opportunities for mapping croplands with precision and accuracy over large areas that satisfy the requirements of broad range of applications. Such maps are expected to provide highly significant improvements compared to existing products, which tend to be coarser in resolution, and often fail to capture fragmented small-holder farms especially in regions with high dynamic change within and across years. To overcome these limitations, in this research we present an approach for cropland extent mapping at high spatial resolution (30-m or better) using the 10-day, 10 to 20-m, Sentinel-2 data in combination with 16-day, 30-m, Landsat-8 data on Google Earth Engine (GEE). First, nominal 30-m resolution satellite imagery composites were created from 36,924 scenes of Sentinel-2 and Landsat-8 images for the entire African continent in 2015-2016. These composites were generated using a median-mosaic of five bands (blue, green, red, near-infrared, NDVI) during each of the two periods (period 1: January-June 2016 and period 2: July-December 2015) plus a 30-m slope layer derived from the Shuttle Radar Topographic Mission (SRTM) elevation dataset. Second, we selected Cropland/Non-cropland training samples (sample size 9791) from various sources in GEE to create pixel-based classifications. As supervised classification algorithm, Random Forest (RF) was used as the primary classifier because of its efficiency, and when over-fitting issues of RF happened due to the noise of input training data, Support Vector Machine (SVM) was applied to compensate for such defects in specific areas. Third, the Recursive Hierarchical Segmentation (RHSeg) algorithm was employed to generate an object-oriented segmentation layer based on spectral and spatial properties from the same input data. This layer was merged with the pixel-based classification to improve segmentation accuracy. Accuracies of the merged 30-m crop extent product were computed using an error matrix approach in which 1754 independent validation samples were used. In addition, a comparison was performed with other available cropland maps as well as with LULC maps to show spatial similarity. Finally, the cropland area results derived from the map were compared with UN FAO statistics. The independent accuracy assessment showed a weighted overall accuracy of 94, with a producers accuracy of 85.9 (or omission error of 14.1), and users accuracy of 68.5 (commission error of 31.5) for the cropland class. The total net cropland area (TNCA) of Africa was estimated as 313 Mha for the nominal year 2015.

Cropland mapping; cropland areas; 30-m; Landsat-8;↗

Performance assessment of a real water source heat pump within a hardware-in-the-loop (HIL) testing environment

Over the last decade, the global fight against climate change through electrification has led to an increase in research on building heating, ventilation, and air conditioning (HVAC) systems that utilize intelligent control algorithms to provide demand-side grid service while also maintaining the thermal comfort of building occupants. As the pivotal point between building electricity consumption and indoor thermal comfort, high-efficiency electrical vapor-compression heat pumps are at the center of these emerging studies, and various grid-interactive and occupant-comfort control algorithms have been developed for them. The impact of these algorithms on heat pump operation and performance when subjected to different weather conditions, building loads, and grid requests calls for investigation and verification via experimental testing with actual heat pumps integrated with real-time building and grid responses. This study introduces a Water-Source Heat Pump (WSHP) Hardware-in-The-Loop (HIL) Test Facility that is the first of its kind. This testbed utilizes a 2-ton variable speed water-to-air heat pump that is capable of interacting with a virtual environment currently comprised of an EnergyPlus (E+) building simulation, an agent-based occupant behavioral model, and a single U-tube ground-loop heat exchanger (GLHE) model. Detailed descriptions of the testbed’s physical design and operation, virtual environment, as well as their mutual communication is provided. An uncertainty analysis is also performed under manufacturer specified heating and cooling design conditions. This analysis shows that the total load across the WSHP’s demand side heat exchanger, i.e., the sum of its latent and sensible components, can be measured with a relative uncertainty of ± 10.4% and ± 3.6% in cooling and heating mode respectively. The WSHP’s coefficient of performance (COP) can be measured with relative uncertainties of ± 10.4% in cooling mode, and ± 3.7% in heating mode. A preliminary 24-h experimental demonstration is then performed utilizing the DOE prototype small commercial office building model in E+. The simulation takes place in Atlanta, GA on the date of 08/26/15 from 12:00 AM to 11:59 PM using TMY3 weather data. Here, the results from this demonstration show that over the course of this experiment the simulated outputs of zone dry-bulb temperature, zone humidity ratio, and WSHP inlet water temperature can be tracked by testbed emulators up to a root mean squared error (RMSE) of ± 0.27 °C, ± 0.376 g/kg, and ± 0.85 °C respectively. The WSHP’s dynamic behavioral characteristics and performance are also captured, and correspond well with the authors’ previous understanding of heat pump efficiency as a function of evaporator and condenser fluid inlet conditions respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Numerical Investigation of a Central Fuel Property Hypothesis Under Boosted Spark-Ignition Conditions

In the present work, a central fuel property hypothesis (CFPH), which states that fuel properties are sufficient to provide an indication of a fuel’s performance irrespective of its chemical composition, was numerically investigated. In particular, the objective of the study was to determine whether Research Octane Number (RON) and Motor Octane Number (MON), as fuel properties, are sufficient to describe a fuel’s knock-limited performance under boosted spark-ignition (SI) conditions within the framework of CFPH. To this end, four TPRF-bioblendstock surrogates having different compositions but matched RON (=98) and MON (=90), were first generated using a non-linear regression model based on artificial neural network (ANN). Additionally, three unconventional bioblendstocks were included in the analysis: di-isobutylene (DIB), isobutanol, and Anisole. Skeletal reaction mechanisms were generated for the TPRF-DIB, TPRF-isobutanol, and TPRF-anisole blends from a detailed kinetic mechanism. Thereafter, numerical simulations were performed for the fuel surrogates using the skeletal mechanisms and a virtual cooperative fuel research (CFR) engine model, under a representative boosted operating condition. In the computational fluid dynamics (CFD) model, the G-equation approach was employed to track the turbulent flame front and the well-stirred reactor model combined with the multi-zone binning strategy was used to capture auto-ignition in the end-gas. In addition, laminar flame speed (LFS) was tabulated for each blend as a function of pressure, temperature, and equivalence ratio a priori, and the lookup tables were used to prescribe laminar flame speed as an input to the G-equation model. Parametric spark timing sweeps were performed for each fuel blend to determine the corresponding knock-limited spark advance (KLSA) and 50% burn point (CA50) at the respective KLSA timing. It was observed that despite same RON, MON, and engine operating conditions, the TPRF-anisole blend exhibited markedly different knock-limited performance from the other three blends. This deviation from the octane index (OI) expectation was shown to be caused by differences in laminar flame speed. However, it was found that relatively large fuel-specific differences in LFS (>20%) would have to be present to cause any appreciable deviation from the OI framework. Otherwise, RON and MON would still be robust enough to predict a fuel’s knock-limited performance.

42 ENGINEERING↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗