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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Board 160: Empowerment in STEM Day: Introducing High School Girls to Careers at National Laboratories (Work in Progress)

In the US, women are still vastly underrepresented in STEM (science, technology, engineering, and mathematics) careers, and various studies have shown that girls' interest in STEM careers wane as high school progresses. With this challenge in mind, Empowerment in STEM Day was organized by Lawrence Berkeley National Laboratory (LBNL), hosting 47 high school students from 6 public high schools in the area. This one-day event was designed and executed through a collaboration between the Women's Support and Empowerment Council (WSEC) and the K-12 STEM Education and Outreach Program at LBNL. The main goal of this program was to provide high school girls, who have little access to STEM career role-models in their immediate surroundings with insights into how a career in STEM looks like. Invitations to participate in the program were sent out to six local high schools in the Bay area asking educators to identify female students that were interested in STEM. Each high school participant was provided with an opportunity to experience a national laboratory environment, learn more about summer workshops and paid summer research internship opportunities at LBNL for high school students, and engage directly with LBNL's employees through job shadow, career mapping and speed networking sessions. In this paper, we will present an overview of the event organization, challenges faced during planning and execution of the event, discuss the lessons learned from the first Empowerment in STEM Day and suggest strategies for incorporating such events at other national laboratories and academic institutions as part of a vital effort into recruiting and retaining more high school girls in STEM-based careers. Additionally, since this was the first in-person event hosted by LBNL's K-12 Program after the pandemic, we will also share the strategies implemented at the event so as to engage both remote and on-site employees as volunteers.

Bose, Baishakhi↗
DOE OSTI2020

Calculating Potential Radiological Emissions for Waste Management Activities at INL - 20068

At Idaho National Laboratory (INL), work involving radionuclides is evaluated for potential emissions from a project in order to comply with the National Emission Standards for Hazardous Air Pollutants (NESHAP) regulations, 40 CFR 61 Subpart H. Emission calculations are documented in an Air Permitting Applicability Determination (APAD) to analyze unmitigated and mitigated emissions and determine if an Application to Construct (ATC) or continuous monitoring is required. To calculate the unmitigated and mitigated emissions, a spreadsheet was developed to provide ease in determining potential emissions by providing the maximum operating temperature and the material being used. The spreadsheet aids in determining the potential emissions for research projects and waste management activities at Materials and Fuels Complex (MFC) and other locations across the INL site. Furthermore, it can also be used for periodic confirmatory measurements (PCM) to justify low emissions. Elements that factor into the unmitigated and mitigated calculations include the amount of each radionuclide used (in curies or grams), specific activity (if amount is given in grams), the temperature the material is heated to in Celsius, the dose conversion factor which is derived from Clean Air Act Assessment Package - 1988 (CAP-88) modeling, and the number of HEPA filters used for mitigated measures. The main drivers for calculating the unmitigated emissions for a project are the amount used per radionuclide, the maximum operating temperature, and the location of the work. The maximum operating temperature determines the airborne release factor which is dependent on the physical state of the radionuclide. Prior to October 2017, if the radionuclide was heated to greater than 100 deg. C, the radionuclide was assumed to be a gas, which has the highest airborne release factor. This assumption would be overly conservative for radionuclides with high melting and boiling points, which provided a challenge to demonstrate low emissions. In October 2017, the Environmental Protection Agency (EPA) approved an alternative method for INL. This method allows the airborne release factor to be determined by using the melting point and 90% of the boiling point of the radionuclide. This methodology was included in the spreadsheet to allow unmitigated emission calculations for APADs to be completed more efficiently and effectively. Results show a reduction in time completing air emission calculations as well as lower total emissions across all facilities at INL. MFC annual emissions were reduced by 62% from the previous year and Research and Education Campus (REC) facilities were reduced by 38% due to implementation of the approved alternative method. Time spent on APADs, PCMs, and documentation for the annual NESHAP report was also reduced significantly. The spreadsheet provided in Table I provides the potential emission calculations for the 'Advanced Retrieval and Disposition Techniques for Remote Handled Mixed Low Level Waste (RH MLLW) at the Radioactive Scrap and Waste Facility (RSWF)' project. Calculations show the Potential Effective Dose Equivalent (PEDE) at RSWF to be 7.27 E-04 mrem/yr (7.27 E-09 Sv/yr) which is well below the 0.1 mrem/yr threshold. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Automating Bayesian inference and design to quantify acoustic particle levitation

Self-propulsion of micro- and nanoparticles powered by ultrasound provides an attractive strategy for the remote manipulation of colloidal matter using biocompatible energy inputs. Quantitative understanding of particle motion and its dependence on size, shape, and composition requires accurate characterization of the acoustic field, which depends sensitively on the experimental setup. Here, we show how automated experiments based on Bayesian inference and design can accurately and efficiently characterize the acoustic field within resonant chambers used to propel acoustic nanomotors. Repeated cycles of observation, inference, and design (OID) are guided by a physical model that describes the rate at which levitating particles approach the nodal plane. Using video microscopy, we observe the relaxation of tracer particles to this plane following the application of the acoustic field. We use sequential Monte Carlo methods to infer model parameters such as the amplitude and frequency of the resonant chamber while accounting for particle-level measurement noise and population-level heterogeneity in the field. Guided by simulated outcomes, we select the optimal design for the next experiment as to maximize the information gain in the relevant parameters. We show how this iterative process serves to discriminate between competing hypotheses and efficiently converges to accurate parameter estimates using only few automated experiments. We discuss the need for model criticism to ensure the validity of the guiding model throughout automated cycles of observation, inference, and design. Furthermore, this work demonstrates how Bayesian methods can learn the parameters of nonlinear, hierarchical models used to describe video microscopy data of active colloids.

42 ENGINEERING↗
DOE OSTI2023

Stabilizing the Grid and Reducing Utility Bills Through Price-Responsive Controls for Heat Pump Water Heaters

The electricity grid is facing increasing challenges in cost-effectively balancing supply and demand. These challenges are exacerbated by increased penetration of photovoltaics, which causes mid-day overproduction, and electrification of gas appliances, which increases peak-period electricity demand. Decarbonization requires shifting building loads from fossil-intensive high-cost times to renewable-intensive low-cost times while maintaining quality of service to occupants. Utilities and ISO’s are investigating new ways of incentivizing this load shifting. One promising method is the use of Highly Dynamic Prices (HDPs). HDPs feature continuously changing prices that reflect real-time grid generation and distribution costs and capacity constraints, and thus incentivize consumers to shift their loads. California’s CPUC CalFUSE proposal and Hawaii’s recent changes demonstrate that electricity tariffs are moving towards this model. For this to work however, loads must have the capability to respond to these prices. Heat pump water heaters (HPWHs) are an ideal device for this purpose because their storage tanks decouple delivery of domestic hot water from electricity consumption. The storage enables control strategies that consume midday solar power to increase the energy stored in the tank, then provide evening peak domestic hot water services using the stored energy. Berkeley Lab's CalFlexHub project is pioneering price-driven load flexibility by developing and deploying cost-minimizing controls for many flexible loads - including HPWHs - in response to HDP. Control development is based on simulations using the Flexible Heat Pump Water Heater Performance Predictor which captures the control decisions of the on-board controller in a residential, integrated HPWH . The price-responsive controls a) shift load in ways that consume additional midday solar power to help stabilize the grid and reduce overall emissions, b) ensure that occupants receive equal or better hot water delivery service, and c) minimize the operating cost for each home in the fleet. On the grid level, the resulting shift will reduce utility operating costs and emissions, and can avoid expensive system capacity expansions. The control approach is customized to each home based on typical hot water consumption patterns. HPWH controllers, whether on the device or remotely, will receive a schedule of CTA-2045-B signals or set temperature adjustments customized to the current HDP price schedule and home. Simulation results for a fleet of 148 HPWHs on a summer day in Berkeley, California show cost savings of 29% and high price electricity consumption reductions of 80%, while maintaining full quality of service.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Ice Cryo-Encapsulation Balloon (Project ICEBall) Field Campaign Report

The Ice Cryo-Encapsulation Balloon (ICEBall) field campaign was designed to sample the ice crystals that compose high-altitude cirrus with a passive device. The campaign made use of a new instrument, ICEBall, which is a balloon-borne ice crystal sampling system. The ice crystal sounding system is capable of measuring ice crystal concentration, temperature, atmospheric pressure, ice crystal habit, aerosol particle morphology, and residual composition. The 3-kg instrument is carried upwards at 5 m s-1 by a high-altitude balloon. The instrument can be cut down from the balloon at any altitude up to 20 km, and the apparatus returns to the surface by parachute. Basic measurements such as temperature and pressure are recorded onboard, and high-frequency Global Positioning System (GPS) records altitude and latitude/longitude. Ice crystal concentrations are measured through the use of a high-resolution video camera mounted on the device. Ice crystals are collected through an open aperture leading to insulated collection chambers cooled with dry ice. Upon exiting the top of the cloud system, the chamber aperture is closed, and the ~1 mm3 sample cell is magnetically sealed and isolated at -78 °C, ensuring that ice particles do not sublimate or grow after collection. Once the crystals are returned to the surface, they are double-sealed and immersed at liquid nitrogen temperature in “dry-cryo shippers” before being transported back to the laboratory. Dr. Magee’s laboratory at The College of New Jersey contains a cryo-stage scanning electron microscope (SEM), which was used to interrogate the crystals and aerosol particles. The main purpose of this pilot field campaign was to provide an unprecedented level of detail on the crystal habits and ice surface complexity in mid-latitude cirrus, which may help resolve issues associated with habit identification and classification in cirrus. The ICEBall campaign was originally scheduled to run from March 28 to April 18 of 2021 at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Southern Great Plains observatory. The COVID-19 pandemic intervened and caused us to shift the dates of the experiment to October 16-November 6 of 2021. This period is also climatologically favorable for cirrus. The approximately six-month gap between our original field campaign dates and the actual dates afforded us the opportunity to build two new ICEBall payload instruments. These instruments were tested during an August 2021 trip to The College of New Jersey. During this field testing phase, we decided to launch the ICEBall payload upstream from the ARM SGP site with the goal of landing in the vicinity of the site. Our goal was to sample the ice crystals before the cirrus were advected over the remote-sensing instruments at the SGP site. The team assembled for the field campaign consisted of the Principle Investigator (PI) and Co-Principle Investigator (Co-PI) (Drs. Harrington and Magee), The Pennsylvania State University research scientist Dr. Alfred Moyle, and two graduate students (Ms. Marley Majetic and Gwenore Pokrifka). The team operated out of a house rented in Enid, Oklahoma. We successfully sampled seven cirrus cloud systems during the three-week field campaign (October 21, 23-26, 31, and November 1). This was a much higher success rate than either of the PIs anticipated (our goal was closer to sampling three or four cases). The balloon was typically launched from oil pads or farm fields northwest of Enid and the payload was typically retrieved somewhat north of the SGP site. We never landed directly at the SGP site, and so did not need regular access to the SGP facilities. Our greatest concern going into the field campaign was the longer-term storage of crystals in the -196°C cryo dry-shipper dewars and the subsequent transport across the country. We had tested storage and transport prior to the field campaign, but we had never stored crystals for a few weeks nor had we transported the dewars over long distances. To our great relief, the storage and transport worked flawlessly and we were able to image a large number of crystals from six of the seven cases. Working with the staff at the ARM SGP office was excellent. They not only helped us find the sources we needed for helium, liquid nitrogen, and other materials, but also helped with contacts within the Federal Aviation Administration (FAA) and Vance Air Force Base. One goal of our field project was to tie the in situ measurements of ice crystal habits to the radar signatures derived from the Ka-band ARM Zenith-pointing Radar (KAZR). Unfortunately KAZR was down for the duration of our experiment. However, the Ka-band Scanning ARM Cloud Radar (KASACR) was put into vertically pointing mode during the ICEBall campaign and those data, along with Doppler lidar measurements, have proved very useful.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

SuperCam Calibration Targets: Design and Development

Abstract SuperCam is a highly integrated remote-sensing instrumental suite for NASA’s Mars 2020 mission. It consists of a co-aligned combination of Laser-Induced Breakdown Spectroscopy (LIBS), Time-Resolved Raman and Luminescence (TRR/L), Visible and Infrared Spectroscopy (VISIR), together with sound recording (MIC) and high-magnification imaging techniques (RMI). They provide information on the mineralogy, geochemistry and mineral context around the Perseverance Rover. The calibration of this complex suite is a major challenge. Not only does each technique require its own standards or references, their combination also introduces new requirements to obtain optimal scientific output. Elemental composition, molecular vibrational features, fluorescence, morphology and texture provide a full picture of the sample with spectral information that needs to be co-aligned, correlated, and individually calibrated. The resulting hardware includes different kinds of targets, each one covering different needs of the instrument. Standards for imaging calibration, geological samples for mineral identification and chemometric calculations or spectral references to calibrate and evaluate the health of the instrument, are all included in the SuperCam Calibration Target (SCCT). The system also includes a specifically designed assembly in which the samples are mounted. This hardware allows the targets to survive the harsh environmental conditions of the launch, cruise, landing and operation on Mars during the whole mission. Here we summarize the design, development, integration, verification and functional testing of the SCCT. This work includes some key results obtained to verify the scientific outcome of the SuperCam system.

Manrique, J. A. (ORCID:0000000220532819)↗
DOE OSTI2022

Conflicts of Greens’ in Renewable Energy Landscapes: Case Studies and a Planning Framework

Reducing greenhouse gas emissions (GHG) through renewable energy deployment is a goal for many cities and nations to mitigate the effects of a rapidly changing climate while securing energy needs. Given national and state level policies on green energy to achieve GHG reduction targets, localities are considering utility-scale renewable energy (USRE) facilities on remote lands, rural areas, oceans, coastal waters and large rivers to meet the energy needs for urban residents and industries. Although these USRE facilities generate much “greener” electricity than fossil fuel power plants, locating them can pose conflicts with wildlife, including endangered, threatened and/or special status species, and the habitats that support wildlife populations (Brunette et al., 2013; Gasparatos et al. 2016; Mulvaney 2017), which lead to a “Conflict of Greens” (Ko et al., 2011). In addition to ecological impacts, conflicts over social and cultural resources in local communities lead to concerns over environmental justice, in this context “energy justice,” where negative environmental, social, and economic impacts of energy projects fall more heavily upon marginalized, vulnerable, or indigenous communities. The Pacific Rim region is a center of major and growing economies, and it has become a battlefield for competing “green” objectives. In addition to progressive renewable energy goals, such as in California, Hawaii, and Taiwan, countries around the Pacific Rim have the majority of the growth in manufacturing of wind and solar energy devices and also some of the highest levels of renewables deployment with China, India, and the US leading the way in wind and solar installations. Developing renewable energy source in the ocean such as offshore wind, tidal, and wave energy, are beginning to add to this mix. Given this challenge, the APRU SCL energy working group provides six case studies that address questions about the “Conflict of Greens” across the Pacific Rim including South Korea, Taiwan, and the United States (California, Hawaii, and Massachusetts). The literature review highlights the emerging ecological, social, and economic aspects of conflicts over siting renewables on the landscape. Using case studies, we examine the trial and errors in least-conflict spatial planning, data collection and analysis, public participation in decision-making, mitigation, social planning for energy transitions, and multi-scalar approaches. Lastly, we recommend interdisciplinary policy, planning, and design actions for sustainable energy landscapes across the Pacific Rim and beyond.

green versus green, renewable energy↗
DOE OSTI2023

Methane Partial Oxidation over Multifunctional 2-D Materials

The objective of this research is to design, synthesize, and evaluate highly selective, active, and stable multifunctional catalysts for the low temperature (< 500 Kelvin (K)) partial oxidation of methane to methanol (MTM) with molecular oxygen: CH 4 (g) + $\frac{1}{2}$O 2 (g) → CH 3 OH(g). Methane, the primary component of natural gas, is a source of energy and economic growth as well as an environmental concern. Recent developments in horizontal drilling and enhanced extraction methods have resulted in production of an estimated 62.4 trillion m 3 of ‘stranded’, or uneconomic, natural gas. Uneconomical natural gas is often flared or vented at remote oil production sites. Leaked, flared, and/or vented gas represents a "lost opportunity”, and this research project aims to maximize the value of the resource. Conventional catalysts for MTM suffer from low methanol selectivity since they exhibit ~0.55 eV higher barrier for C-H bond activation of methane compared to methanol. Without breaking these scaling relations, methanol oxidation is orders of magnitude faster than methane oxidation and it is very challenging to envision a process with economically viable single-pass yield. Here, we chose to investigate single-atom catalysts embedded and stabilized in two-dimensional materials such as graphene (GR) and "supported" on Group VIII and IB transition metals such as nickel. The electronic atomic monolayer-metal support interaction (EAMSI) present in these systems could promote methanol selectivity by breaking the scaling relations of the C-H bond activation of methane and methanol. A density functional theory (DFT) based computational study focused on predicting families of GR-based catalysts that could be active and selective for MTM. The catalyst systems predicted by the computational study were synthesized and evaluated for the gas phase MTM under relevant conditions. Unfortunately, the experimental activity and selectivity was lower than computationally predicted. The origin for the discrepancy is likely related to difficulties in synthesizing single atom catalysts in a threecomponent catalyst system at high density and with high selectivity. Future work in our groups is thus focused on reducing the system complexity to a two-component catalyst system. Finally, a techno-economic analysis (TEA) was also conducted to identify critical bottlenecks that inhibit future commercialization.

03 NATURAL GAS↗
DOE OSTI2022

Date Release Report for Large Surface Explosion Coupling Experiment (LSECE) Nevada National Security Site

The DTRA sponsored 2020-2022 Large Surface Explosion Coupling Experiment (LSECE) consists of two large ground surface chemical explosions, data collection, analysis and modeling carried out in 2020-2022. The LSECE chemical explosions were carried out at the site of prior NNSA sponsored buried chemical explosions that were part of the Source Physics Experiment (SPE) Phase II in Dry Alluvium Geology (DAG). This report described the data collected under LSECE that is being made publicly available. The prior buried explosion DAG data are described in a separate report (https://www.osti.gov/biblio/1825534) and are also publicly available. The LSECE explosions, data analysis and numerical modeling work sponsored by DTRA were intended to address three objectives: 1) Generate seismo-acoustic data to test and improve numerical models of explosion energy coupling in dry alluvium geology; 2) To improve seismo-acoustic yield estimation techniques as a function of depth and medium properties; 3) To study and improve acoustic propagation modeling under two different atmospheric conditions. The LSECE data that were collected have expanded the prior DAG buried explosion dataset to include surface chemical explosions recorded on a common set of seismo-acoustic stations. They have allowed a more detailed study of above and below surface seismo-acoustic energy coupling with applications to explosion monitoring and assessment. The two approximately 1-ton TNT equivalent yield LSECE explosions were detonated at different times of the day to explore the effects of the different atmospheric conditions. The first chemical explosion “Artemis” was conducted before dawn when temperature inversions were present. The second chemical explosion “Apollo” was conducted on a sunny afternoon when the temperature gradient was more linear. The LSECE chemical explosion data were also collected across a variety of different sensor types to allow evaluation of their effectiveness in recovering useful information. The LSECE instrumentation included fiber optic or Distributed Acoustic Sensing (DAS), a dense array or Large-N array of seismometers, borehole accelerometers, DAS and a velocity meter, airborne acoustic instruments and a variety of visual and remote sensing data.

58 GEOSCIENCES↗
DOE OSTI2026

Performance of reanalysis and mesoscale models off the coast of Hawai'i

The eastern Hawai'i coast in the United States is characterized by considerable wind resource fuelled by persistent trade winds, making it an important area for energy research. The need is strong for reanalyses and higher-resolution regional simulations where observations have been historically limited, such as Hawai'i's offshore environments. However, studies using offshore observations in other parts of the world have shown that significant errors can occur in reanalyses and wind datasets, which can lead to inaccurate estimates of wind energy generation, payback periods, and extreme weather risks at project locations. The degree of such errors is influenced by a number of factors, including spatial resolution and the handling of processes within the planetary boundary layer (PBL). In this work, we provide a wind resource characterization from year-long lidar buoy measurements off the eastern coast of O'ahu, Hawai'i, an environment previously unobserved at the rotor level, and use the characterization to evaluate the performance of two simulation datasets. The O'ahu deployment location is meteorologically unique and less complex than land-based wind resource characterizations, being strongly characterized by trade winds with minimal land–atmosphere interaction influences. Despite the unique and fairly consistent meteorological conditions, we hypothesize that distinct simulation datasets will exhibit diverse ranges of errors similar to those that have been seen for other offshore locations. We find the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis version 5 (ERA5) to strongly underestimate observed wind speeds at the O'ahu location (bias = −1.54 m s −1 at a height of 140 m above sea level), while a regional Weather Research and Forecasting Model (WRF) simulation produced by the University of Hawai'i (UH-WRF) provides a significantly smaller wind speed bias (−0.25 m s −1 ), highlighting the value of running regional, higher-resolution simulations. The large bias noted for ERA5 is driven by significant underestimation of fast wind speeds (>9 m s −1 ), which the study site is largely characterized by, along with discontinuities in the ERA5 diurnal cycle. We also speculate that the relative sparsity of observations for data assimilation in this remote part of the world could influence the performance of ERA5 and that challenges with characterizing island effects could impact the performance of both datasets.

17 WIND ENERGY↗
DOE OSTI2020

Application of radiochromic gel dosimetry to commissioning of a megavoltage research linear accelerator for small–field animal irradiation studies

To develop and implement an efficient and accurate commissioning procedure for small-field static beam animal irradiation studies on an MV research linear accelerator (Linatron-M9) using radiochromic gel dosimetry. The research linear accelerator (Linatron-M9) is a 9 MV linac with a static fixed collimator opening of 5.08 cm diameter. Lead collimators were manually placed to create smaller fields of 2 × 2 cm 2 , 1 × 1 cm 2 , and 0.5 × 0.5 cm 2 . Relative dosimetry measurements were performed, including profiles, percent depth dose (PDD) curves, beam divergence, and relative output factors using various dosimetry tools, including a small volume ionization chamber (A14), GAFCHROMIC™ EBT3 film, and Clearview gel dosimeters. The gel dosimeter was used to provide a 3D volumetric reference of the irradiated fields. The Linatron profiles and relative output factors were extracted at a reference depth of 2 cm with the output factor measured relative to the 2 × 2 cm 2 reference field. Absolute dosimetry was performed using A14 ionization chamber measurements, which were verified using a national standards laboratory remote dosimetry service. Absolute dosimetry measurements were confirmed within 1.4% (k = 2, 95% confidence = 5%). The relative output factor of the small fields measured with films and gels agreed with a maximum relative percent error difference between the two methods of 1.1 % for the 1 × 1 cm 2 field and 4.3 % for the 0.5 × 0.5 cm 2 field. These relative errors were primarily due to the variability in the collimator positioning. The measured beam profiles demonstrated excellent agreement for beam size (measured as FWHM), within approximately 0.8 mm (or less). Film measurements were more accurate in the penumbra region due to the film’s finer resolution compared with the gel dosimeter. Following the van Dyk criteria, the PDD values of the film and gel measurements agree within 11% in the buildup region starting from 0.5 cm depth and within 2.6 % beyond maximum dose and into the fall-off region for depths up to 5 cm. The 2D beam profile isodose lines agree within 0.5 mm in all regions for the 0.5 × 0.5 cm 2 and the 1 × 1 cm 2 fields and within 1 mm for the larger field of 2 × 2 cm 2 . The 2D PDD curves agree within approximately 2% of the maximum in the typical therapy region (1–4 cm) for the 1 × 1 cm 2 and 2 × 2 cm 2 and within 5% for the 0.5 × 0.5 cm 2 field. This work provides a commissioning process to measure the beam characteristics of a fixed beam MV accelerator with detailed dosimetric evaluation for its implementation in megavoltage small animal irradiation studies. Radiochromic gel dosimeters are efficient small-field relative dosimetry tools providing 3D dose measurements allowing for full representation of dose, dosimeter misalignment corrections and high reproducibility with low inter-dosimeter variability. Altogether, radiochromic gels are valuable for fast, full relative dosimetry commissioning in comparison to films for application in high-energy small-field animal irradiation studies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Monitoring agroecosystem productivity and phenology at a national scale: A metric assessment framework

Effective measurement of seasonal variations in the timing and amount of production is critical to managing spatially heterogeneous agroecosystems in a changing climate. Although numerous technologies for such measurements are available, their relationships to one another at a continental extent are unknown. Using data collected from across the Long-Term Agroecosystem Research (LTAR) network and other networks, we investigated correlations among key metrics representing primary production, phenology, and carbon fluxes in croplands, grazing lands, and crop-grazing integrated systems across the continental U.S. Metrics we examined included gross primary productivity (GPP) estimated from eddy covariance (EC) towers and modelled from the Landsat satellite, Landsat NDVI, and vegetation greenness (Green Chromatic Coordinate, GCC) from tower-mounted PhenoCams for 2017 and 2018. Overall, our analysis compared production dynamics estimated from three independent ground and remote platforms using data for 34 agricultural sites constituting 51 site-years of co-located time series. Pairwise sensor comparisons across all four metrics revealed stronger correlation and lower root mean square error (RMSE) between end of season (EOS) dates (Pearson R ranged from 0.6 to 0.7 and RMSE from 32.5 to 67.8) than start of season (SOS) dates (0.46 to 0.69 and 40.4 to 66.2). Overall, moderate to high correlations between SOS and EOS metrics complemented one another except at some lower productivity grazing land sites where estimating SOS can be challenging. Growing season length estimates derived from 16-day satellite GPP (179.1 days) were significantly longer than those from PhenoCam G CC (70.4 days, p adj < 0.0001) and EC GPP (79.6 days, p adj < 0.0001). Landscape heterogeneity did not explain differences in SOS and EOS estimates. Annual integrated estimates of productivity from EC GPP and PhenoCam G CC diverged from those estimated by Landsat GPP and NDVI at sites where annual production exceeds 1000 gC/m –2 yr –1 . Based on our results, we developed a “metric assessment framework” that articulates where and how metrics from satellite, eddy covariance and PhenoCams complement, diverge from, or are redundant with one another. The framework was designed to optimize instrumentation selection for monitoring, modeling, and forecasting ecosystem functioning with the ultimate goal of informing decision-making by land managers, policy-makers, and industry leaders working at multiple scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Characterization of a novel aromatic substrate-processing microcompartment in Actinobacteria

ABSTRACT We have discovered a new cluster of genes that is found exclusively in the Actinobacteria phylum. This locus includes genes for the 2-aminophenol meta -cleavage pathway and the shell proteins of a bacterial microcompartment (BMC) and has been named aromatics (ARO) for its putative role in the breakdown of aromatic compounds. In this study, we provide details about the distribution and composition of the ARO BMC locus and conduct phylogenetic, structural, and functional analyses of the first two enzymes in the catabolic pathway: a unique 2-aminophenol dioxygenase, which is exclusively found alongside BMC shell genes in Actinobacteria, and a semialdehyde dehydrogenase, which works downstream of the dioxygenase. Genomic analysis reveals variations in the complexity of the ARO loci across different orders. Some loci are simple, containing shell proteins and enzymes for the initial steps of the catabolic pathway, while others are extensive, encompassing all the necessary genes for the complete breakdown of 2-aminophenol into pyruvate and acetyl-CoA. Furthermore, our analysis uncovers two subtypes of ARO BMC that likely degrade either 2-aminophenol or catechol, depending on the presence of a pathway-specific gene within the ARO locus. The precise precursor of 2-aminophenol, which serves as the initial substrate and/or inducer for the ARO pathway, remains unknown, as our model organism Micromonospora rosaria cannot utilize 2-aminophenol as its sole energy source. However, using enzymatic assays, we demonstrate the dioxygenase’s ability to cleave both 2-aminophenol and catechol in vitro , in collaboration with the aldehyde dehydrogenase, to facilitate the rapid conversion of these unstable and toxic intermediates. IMPORTANCE Bacterial microcompartments (BMCs) are proteinaceous organelles that are widespread among bacteria and provide a competitive advantage in specific environmental niches. Studies have shown that the genetic information necessary to form functional BMCs is encoded in loci that contain genes encoding shell proteins and the enzymatic core. This allows the bioinformatic discovery of BMCs with novel functions and expands our understanding of the metabolic diversity of BMCs. ARO loci, found only in Actinobacteria, contain genes encoding for phylogenetically remote shell proteins and homologs of the meta -cleavage degradation pathway enzymes that were shown to convert central aromatic intermediates into pyruvate and acetyl-CoA in gamma Proteobacteria. By analyzing the gene composition of ARO BMC loci and characterizing two core enzymes phylogenetically, structurally, and functionally, we provide an initial functional characterization of the ARO BMC, the most unusual BMC identified to date, distinctive among the repertoire of studied BMCs.

2-AP 1,6-dioxygenase↗
DOE OSTI2021

Improving ChemCam LIBS long-distance elemental compositions using empirical abundance trends

The ChemCam instrument on the Curiosity rover provides chemical compositions of Martian rocks and soils using remote laser-induced breakdown spectroscopy (LIBS). The elemental calibration is stable as a function of distance for Ti, Fe, Mg, and Ca. The calibration shows small, systematically increasing abundance trends as a function of distance for Al, Na, K, and to some extent, Si. The distance effect is known to be due to a dependence with distance on the relative strengths of atomic transition lines. Emission lines representing transitions from relatively low energy levels remain intense at longer distances while emission lines representing transitions from higher energy levels decrease in intensity more rapidly as a function of distance. The multivariate algorithms used to determine elemental compositions rely on a large number of emission lines in many cases, so rather than trying to correct all emission lines, a study was made of the predicted compositions as a function of distance, in order to determine an empirical correction. Abundance trends can be well approximated by a linear trend with distance within the ranges of abundances and distances observed up to ~6 m. Data from 11 distinct geological members and data groups of the Murray formation in Gale crater, Mars, were used to form the model, selecting the members and data groups yielding the best statistics. The model was tested using data from several targets observed from two different distances, and using data from the Kimberley formation, the composition of which is significantly different from the Murray formation, showing that the model works on other compositions beyond those used to build the model. For long-distance observations up to ~6 m, corrections can be made back to an equivalent composition at the median distance of ChemCam observations (2.6 m). Finally, the model has been validated up to 6.2 m, although ChemCam is able to observe bedrock targets to >7 m, and iron meteorites to distances of >9 m.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Incentivizing Cold-Climate Efficiency in Juneau (Final Report)

This is the final technical report for the DOE EERE BTO project Incentivizing Cold-Climate Efficiency in Juneau. The project implemented a community energy campaign to deploy heat pumps and efficiency for residents of Juneau, in Southeast Alaska. The project helped Juneau make progress towards its renewable energy goal of reaching 80% renewable energy for space heating by 2045. The Incentivizing Cold-Climate Efficiency in Juneau (ICE-Juneau) project began in 2020 and concluded three years later in 2023. During that time, a group of implementation partners and a research advisory team instituted a beneficial electrification campaign to promote energy savings and carbon reduction in residences of Juneau, Alaska. The campaign, Thermalize Juneau, focused on the installation of single head ductless mini-split heat pumps along with other efficiency upgrades. Thermalize Juneau was the first campaign of its kind in Alaska. After several months of planning, registration opened to the public in early 2021, and over the course of six months 164 participants enrolled. Campaign staff provided education to homeowners on heat pumps and efficiency, and each participant received a one-on-one heat pump assessment using a custom Microsoft Excel-based calculator that estimated energy savings for their residence based on building characteristics and past utility bills. Participants could also obtain a free energy audit from one of the two local energy auditors to further inform their decision. A heat pump installer, electrician, and builder were selected via a competitive RFP process. Participants who felt ready to install a heat pump or other efficiency upgrades received a site visit and custom quote from each of these contractors free of charge, and if they still felt energy upgrades were right for them, could move forward with an individual contract. Participants received a $400 heat pump installation rebate, offered by the installer if 40 heat pump installations occurred through the campaign. Overall, the campaign facilitated 75 heat pump installations (including participants that went with another contractor or heat pump model) and 30 efficiency upgrades (including participants that went with another builder or did DIY upgrades). The campaign created 3 new jobs as the heat pump installer hired an administrative assistant and two apprentices over the course of the campaign. It also helped Juneau work toward achieving its renewable energy goal of 80% renewable energy for space heating by 2045 by upgrading houses from fuel oil to heat pumps powered by the hydropower electric grid. Researchers conducted four surveys to inform Thermalize Juneau and future energy campaigns. The first surveyed existing and prospective heat pump owners in Juneau to identify barriers the campaign could address and inform recruitment efforts. Entry and exit surveys provided information on participant demographics, goals, outcomes, and suggestions for improving future campaigns. And a final survey of community members who had not participated in Thermalize Juneau gave insight on ways future campaigns could include a greater diversity of participants so they could realize similar benefits. Researchers also used pre-campaign energy modeling to predict energy savings, which was then compared to the savings estimated through aggregation of heat pump assessments and energy audits, and later to actual energy savings of 10 participants who installed a heat pump and were able to provide complete energy use data sets. In addition to energy savings, and to assist the electric utility in future planning efforts, researchers analyzed the overall change in electric use across participants with energy data and heat pump installations. They also completed a life cycle cost analysis, showing positive net present values for those displacing a fuel oil appliance, and a more mixed case for those switching from electric baseboard. This project proved the feasibility of energy campaigns, with a goal of beneficial electrification, in cold, remote locations. The Thermalize Juneau team compiled a Guidebook to Thermalize Campaigns, available online. In addition to documenting what occurred in Alaska’s first thermalize campaign, it provides tips and resources for other communities wishing to implement a similar program.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Optimized V1G and V2G Electric Vehicle Fleet Management and Grid Transaction at Marine Corps Air Station Miramar in San Diego, CA

The overall technical goal of the project was to demonstrate an all-electric bi-directional non-tactical fleet at Marine Corps Air Station (MCAS) Miramar that was integrated and controlled with other distributed energy resources (DERs) (i.e., PV, stationary battery, and building loads) to provide resilience to critical electric loads in the event of grid outages, to minimize charging costs, and to provide economic energy resources to electricity markets. In this project, the specific, technical objectives were: 1. Demonstrate that bi-directional electric vehicles can provide critical complementary services to fixed storage batteries in microgrid applications while performing function as non-tactical vehicles. 2. Demonstrate participation of bi-directional (V2G) and unidirectional (V1G) PEVs for demand management and minimization of charging costs. 3. Demonstrate integration of multiple DERs for grid service participation. US Marine Corps Air Station (MCAS) Miramar in San Diego was the site of this electric vehicle-to-microgrid-utility grid test and demonstration project. Existing microgrid assets in this study included (1) a public works building; (2) a 30-kW rooftop photovoltaic (PV) system and (3) a separate 250 kW carport PV system. In this project, six bi-directional V2G vans were located at the MCAS Miramar’s showcase building-scale microgrid to develop and test technical capabilities that V2G can provide in microgrid applications (e.g., cost reduction and resiliency). These resources provided aggregated demand management and simulated participation in current retail DR programs. The vehicles used in this demonstration were selected because they provided functionality that MCAS Miramar needed, 15 passenger transport and facilities work cargo carrying capacity, and bi-directional charging capability that the research project required. All vehicles in this study were manufactured and distributed by VIA Motors, Inc. There were six vehicles total and each was VIA’s VTRUX eREV V2G model, a modified General Motors Chevrolet 2500 2WD van. Three of the vans were configured as passenger vans and the other three were configured as cargo vans. Each van had an on-board bi-direcrtional inverter/charger, Bel Power Solutions model 350INVCHGT150-120-240-8G nominally rated at +/-15 kW. The VIA van’s charging connector follows the J1772 charging protocol. The bi-directional EVSEs demonstrated in this study were manufactured by Coritech, Inc. Each VGI-80-AC charging station enabled enhanced V2G charging capability to a Clipper Creek CS-100 charging module. The enhanced capabilities included ethernet communication following the SEP2.0 protocol with a distributed energy resource function set and an operator screen displaying real-time SOC, voltage, and current. The VGI-80-AC charging stations are classified as level 2 with a maximum current output of 80 A or effectively 19 kW. The VIA van’s onboard charger limited the charging and discharging power to 15 kW in each direction. A control computer was installed in the EWOC and connected to an existing monitor. The V2G control communication network was a completely stand-alone closed system that did not have any connection to any other networks on the base. A cybersecure remote communication connection was created with a cellular modem, firewall hardware, and a virtual private network configuration.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Cloud drop number concentrations over the western North Atlantic Ocean: seasonal cycle, aerosol interrelationships, and other influential factors

Cloud drop number concentrations (N d ) over the western North Atlantic Ocean (WNAO) are generally highest during the winter (DJF) and lowest in summer (JJA), in contrast to aerosol proxy variables (aerosoloptical depth, aerosol index, surface aerosol mass concentrations, surface cloud condensation nuclei (CCN) concentrations) that generally peak inspring (MAM) and JJA with minima in DJF. Using aircraft, satellite remote sensing, ground-based in situ measurement data, and reanalysis data, we characterize factors explaining the divergent seasonal cycles and furthermore probe into factors influencing N d on seasonal timescales. The results can be summarized well by features most pronounced in DJF, including features associated with cold-air outbreak (CAO) conditions such as enhanced values of CAO index, planetary boundary layer height (PBLH),low-level liquid cloud fraction, and cloud-top height, in addition to winds aligned with continental outflow. Data sorted into high- and low-N d days in each season, especially in DJF, revealed that all of these conditions were enhanced on the high-N d days, including reduced sea level pressure and stronger wind speeds. Although aerosols may be more abundant in MAM and JJA, the conditions needed to activate those particles into cloud droplets are weaker than in colder months, which is demonstrated by calculations of the strongest (weakest) aerosol indirect effects in DJF (JJA) based on comparing N d to perturbations in four different aerosol proxy variables (total and sulfate aerosol optical depth, aerosol index, surface mass concentration of sulfate). We used three machine learning models and up to 14 input variables to infer about most influential factors related to N d for DJF and JJA, with the best performance obtained with gradient-boosted regression tree (GBRT) analysis. The model results indicated that cloud fraction was the most important input variable, followed by some combination (depending on season) of CAO index and surface mass concentrations of sulfate and organic carbon. Future work is recommended to further understand aspects uncovered here such as impacts of free tropospheric aerosol entrainment on clouds, degree of boundary layer coupling, wet scavenging, and giant CCN effects on aerosol–N d relationships, updraft velocity, and vertical structure of cloud properties such as adiabaticity that impact the satellite estimation of N d .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Mid Infra-Red Laser Sensor for Continuous Sulfur Trioxide Monitoring to Improve Coal-Fired Power Plant Performance during Flexible Operations

During the course of this project, we performed exhaustive research and development of SO3/H2SO4 sensing technology for coal-fired power plant applications (Figure 1). The development culminated in a successful field campaign of a prototype continuous real-time H2SO4 monitor at a coal-fired power plant (TRL 6) accomplishing the primary goal of the project. The developed sensors utilize tunable laser absorption spectroscopy (TLAS) operating in the mid-infrared (Mid-IR) wavelength region, which is the so-called “molecular fingerprint” region. Systems operating in the Mid-IR have orders of magnitude more sensitivity than systems operating at shorter wavelengths, such as near-infrared (NIR). However, NIR systems are more widespread due to more mature supporting technology (e.g., fiber optics, optical components, etc.). In this project, we not only produced a specific Mid-IR sensor, we also advanced Mid-IR sensor technology in general through the development and demonstration of such supporting technology. In this project, we also developed proprietary broad tuning lasers enabling the ability to effectively measure SO3, H2SO4, H2O, and SO2. Different molecular species have unique spectral signatures that can be probed with lasers operating at different wavelengths. Standard TLAS uses relatively narrow wavelength tuning distributed feedback (DFB) lasers, which can typically only target a single species with narrow features, and are not appropriate for species with broad features, such as SO3 or H2SO4. In contrast, by developing unique, broad-tuning laser technology, we were able to measure these species, as well as SO2 and H2O simultaneously. Furthermore, to enable real-time analysis at a power plant, we modified a commercially available heated gas cell to operate in the Mid-IR wavelength range and fiber coupled the lasers to enable remote delivery of the beams. To generate reference data (library spectra), our collaborators at the University of California Irvine (UCI) developed a catalytic SO3 generation facility. It is worth mentioning that representative H2SO4 and SO3 Mid-IR spectra are not a part of any publicly available database and the data generated under this project is a valuable resource in and of itself. In addition, based on the UCI study we determined that detection of SO3 is complicated by the very strong SO2 absorption. For that reason, we concentrated on H2SO4 detection. Since SO3 and H2SO4 exist in a flue gas in a state of equilibrium, which depends on temperature and humidity, by measuring water concentration and controlling the temperature of the gas cell, we developed an approach to determine SO3 concentration from the H2SO4 measurement. During the development phase of the project, we performed three testing campaigns at our collaborator’s FERCo flue gas facility with conditions representative of the coal-fired power plant (~ 40ppm SO3, 1700ppm to 2800 ppm SO2, 10% water) with the exception of particulate matter. After three test campaigns at FERCo we performed field testing at Harrison Power Station. The final system was mounted on a duct and measured H2SO4, SO2 and water. The tests were highly successful with a demonstrated real-time H2SO4 precision of 1 ppm with a 1 second update. Our collaborators at EPRI conducted an industry survey and determined that there is a very high interest for the SO3/H2SO4 monitoring in the power generation industry as well as in heavy industries in general. Furthermore, work performed by OptoKnowledge beyond the scope of this project under a synergistic DOE SBIR determined another approach to SO3 detection. We applied for Phase II on this SBIR for development a of versatile SO3/H2SO4 sensor but were not selected. We are currently looking for another opportunity to leverage all the technological advancements produced by this project including but not limited to the flue gas facility at UCI, the hardware and software developed, and relationships with FERCo, EPRI CEMTEK, and Harrison Station.

01 COAL, LIGNITE, AND PEAT↗