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A daily, 250 m and real-time gross primary productivity product (2000–present) covering the contiguous United States

Abstract. Gross primary productivity (GPP) quantifies the amount of carbon dioxide (CO2) fixed by plants through photosynthesis. Although as a key quantity of terrestrial ecosystems, there is a lack of high-spatial-and-temporal-resolution, real-time and observation-based GPP products. To address this critical gap, here we leverage a state-of-the-art vegetation index, near-infrared reflectance of vegetation (NIRV), along with accurate photosynthetically active radiation (PAR), to produce a SatelLite Only Photosynthesis Estimation (SLOPE) GPP product for the contiguous United States (CONUS). Compared to existing GPP products, the proposed SLOPE product is advanced in its spatial resolution (250 m versus >500 m), temporal resolution (daily versus 8 d), instantaneity (latency of 1 d versus >2 weeks) and quantitative uncertainty (on a per-pixel and daily basis versus no uncertainty information available). These characteristics are achieved because of several technical innovations employed in this study: (1) SLOPE couples machine learning models with MODIS atmosphere and land products to accurately estimate PAR. (2) SLOPE couples highly efficient and pragmatic gap-filling and filtering algorithms with surface reflectance acquired by both Terra and Aqua MODIS satellites to derive a soil-adjusted NIRV (SANIRV) dataset. (3) SLOPE couples a temporal pattern recognition approach with a long-term Cropland Data Layer (CDL) product to predict dynamic C4 crop fraction. Through developing a parsimonious model with only two slope parameters, the proposed SLOPE product explains 85 % of the spatial and temporal variations in GPP acquired from 49 AmeriFlux eddy-covariance sites (324 site years), with a root-mean-square error (RMSE) of 1.63 gC m−2 d−1. The median R2 over C3 and C4 crop sites reaches 0.87 and 0.94, respectively, indicating great potentials for monitoring crops, in particular bioenergy crops, at the field level. With such a satisfactory performance and its distinct characteristics in spatiotemporal resolution and instantaneity, the proposed SLOPE GPP product is promising for biological and environmental research, carbon cycle research, and a broad range of real-time applications at the regional scale. The archived dataset is available at https://doi.org/10.3334/ORNLDAAC/1786 (download page: https://daac.ornl.gov/daacdata/cms/SLOPE_GPP_CONUS/data/, last access: 20 January 2021) (Jiang and Guan, 2020), and the real-time dataset is available upon request.

54 ENVIRONMENTAL SCIENCES↗

Evaluating Alerting and Guidance Performance of a UAS Detect-And-Avoid System

A key challenge to the routine, safe operation of unmanned aircraft systems (UAS) is the development of detect-and-avoid (DAA) systems to aid the UAS pilot in remaining "well clear" of nearby aircraft. The goal of this study is to investigate the effect of alerting criteria and pilot response delay on the safety and performance of UAS DAA systems in the context of routine civil UAS operations in the National Airspace System (NAS). A NAS-wide fast-time simulation study was conducted to assess UAS DAA system performance with a large number of encounters and a broad set of DAA alerting and guidance system parameters. Three attributes of the DAA system were controlled as independent variables in the study to conduct trade-off analyses: UAS trajectory prediction method (dead-reckoning vs. intent-based), alerting time threshold (related to predicted time to LoWC), and alerting distance threshold (related to predicted Horizontal Miss Distance, or HMD). A set of metrics, such as the percentage of true positive, false positive, and missed alerts, based on signal detection theory and analysis methods utilizing the Receiver Operating Characteristic (ROC) curves were proposed to evaluate the safety and performance of DAA alerting and guidance systems and aid development of DAA system performance standards. The effect of pilot response delay on the performance of DAA systems was evaluated using a DAA alerting and guidance model and a pilot model developed to support this study. A total of 18 fast-time simulations were conducted with nine different DAA alerting threshold settings and two different trajectory prediction methods, using recorded radar traffic from current Visual Flight Rules (VFR) operations, and supplemented with DAA-equipped UAS traffic based on mission profiles modeling future UAS operations. Results indicate DAA alerting distance threshold has a greater effect on DAA system performance than DAA alerting time threshold or ownship trajectory prediction method. Further analysis on the alert lead time (time in advance of predicted loss of well clear at which a DAA alert is first issued) indicated a strong positive correlation between alert lead time and DAA system performance (i.e. the ability of the UAS pilot to maneuver the unmanned aircraft to remain well clear). While bigger distance thresholds had beneficial effects on alert lead time and missed alert rate, it also generated a higher rate of false alerts. In the design and development of DAA alerting and guidance systems, therefore, the positive and negative effects of false alerts and missed alerts should be carefully considered to achieve acceptable alerting system performance by balancing false and missed alerts. The results and methodology presented in this study are expected to help stakeholders, policymakers and standards committees define the appropriate setting of DAA system parameter thresholds for UAS that ensure safety while minimizing operational impacts to the NAS and equipage requirements for its users before DAA operational performance standards can be finalized.

UAS Detect-and-Avoid (DAA) System↗

A Deep Learning Pipeline for Optimizing Large-scale Phase Field Simulations

Phase field (PF) simulations are computationally expensive but remain a key analysis tool to understand the complex mechanisms of additive manufacturing (AM) processes. Each PF simulation-aided analysis requires thousands of node hours on leadership-class supercomputers. One of the main goals of these analyses is the study of microstructure evolution during the build process which begins with the onset of nucleation. Nucleation occurs under certain thermomechanical conditions which are not known a priori and many PF simulations are required to identify ranges of input thermo-mechanical parameters that can result in the onset of nucleation. Since many of the simulations do not result in nucleation, an analysis campaign often ends up wasting tremendous amounts of precious computing resources executing nucleation-absent simulations. The goal of this work is to design and train deep learning models to inform a PF simulation about the likelihood of the occurrence of nucleation in a future simulation time-step based on the state summary over a finite number of past time-steps of a running simulation. If the prediction determines that the running simulation is unlikely to reach nucleation in the allotted time, then its execution is stopped immediately ultimately resulting in vast reduction in wasted computations when accrued over all the PF simulations typically performed in a single or multiple analysis campaign(s). The paper presents the performance of a machine learning pipeline that uses a convolutional neural network (CNN) model to learn an embedding which is then used with a self-attention network to build a multi-task deep learning model to predict the likelihood of nucleation. The model also predicts the input parameters used in a simulation. Performance is compared with a baseline pipeline that uses an off-the-shelf LeNet-5 model to learn the initial embedding. Despite their smaller size, performance results indicate significant improvement in accuracy of the proposed models compared to the larger baseline models.

Kannan, Ramakrishnan {ramki}↗

Type II Radio Bursts and Their Association With Coronal Mass Ejections in Solar Cycles 23 and 24

Context. Meter-wavelength type II solar radio bursts are thought to be the signatures of shock-accelerated electrons in the corona. Studying these bursts can give information about the initial kinematics, dynamics, and energetics of coronal mass ejections (CMEs) in the absence of white-light observations. Aims. We investigate the occurrence of type II bursts in solar cycles 23 and 24 and their association with CMEs. We also explore whether type II bursts might occur in the absence of a CME. Methods. We performed a statistical analysis of type II bursts that occurred between 200 and 25 MHz in solar cycles 23 and 24 and determined the temporal association of these radio bursts with CMEs. We categorized the CMEs based on their linear speed and angular width and studied the distribution of type II bursts with fast (≥500 km s−1 ), slow (<500 km s−1), wide (≥60◦), and narrow (<60◦) CMEs. We explored the dependence of type II bursts occurrence on the phases of the solar cycle. Results. Our analysis shows that during solar cycles 23 and 24, 768 and 435 type II bursts occurred, respectively. Of these, 79% were associated with CMEs in solar cycle 23, and 95% were associated with CMEs in solar cycle 24. However, only 4% and 3% of the total number of CMEs were accompanied by type II bursts in solar cycle 23 and 24, respectively. Most of the type II bursts in both cycles were related to fast and wide CMEs (48%). We also determined the typical drift rate and duration for type II bursts, which is 0.06 MHz s−1 and 9 min. Our results suggest that type II bursts dominate at heights ≈1.7−2.3±0.3 R . A clear majority have an onset height around 1.7 ± 0.3 R assuming the four-fold Newkirk model. Conclusions. The results indicate that most of the type II bursts had a white-light CME counterpart, but a few type II bursts lacked a clear CME association. There were more CMEs in cycle 24 than in cycle 23. However, cycle 24 contained fewer type II radio bursts than cycle 23. The onset heights of type II bursts and their association with wide CMEs reported in this study indicate that the early lateral expansion of CMEs may play a key role in the generation of these radio bursts.

Sun: activity↗

The time-dependent simulation of CFETR baseline steady-state scenarios

One of the key issues to achieve the phase I mission of China fusion engineering test reactor (CFETR) is steady-state operation with a modest fusion power up to 200 MW. To examine this feasibility, time-dependent modeling of CFETR baseline scenario is performed. The time-dependent scenario design examines actual discharge features, including auxiliary heating and current drive scheme, equilibrium, transport, PF coil systems and plasma control system during the plasma evolution. During plasma current ramp-up, 10 MW of EC or LH heating is used to effectively save volt–second consumption to a reasonable level within magnet coil capability and to reduce li for better plasma control. Three reference scenarios are designed to target full non-inductive operation with different external heating and current drive (H&CD), which are NB + EC, NB + LH, and LH + EC, respectively. Two scenarios with neutral beams reach the required fusion power of CFETR phase I target, while for LH + EC scenario the fusion power and confinement is somewhat lower. A reversed magnetic shear with q min > 2 is sustained with off-axis current drive and bootstrap current for all cases examined. Ideal MHD analysis shows that both large toroidal mode number n ballooning mode and low n kink mode are stable in the three reference cases independent of whether the current is totally relaxed or not. The L mode and H–L back transition ramp-down are designed to successfully reduce the plasma current to 2 MA and keep li below 2 with ramp-down rate of 80 kA s -1 . The H–L back transition ramp-down yields improvements in the power transfer and coil current evolution as well as the li evolution. The heating and current drive characteristics of three auxiliary heating sources are indicated by scanning studies. A 2D scan of NB energy and tangency radius indicates the features of NB power deposition, current drive, torque and shine through issue. Both ramp-up and flattop are considered in the scanning of radio frequency parameters. For EC waves, the ramp-up phase constrains the parameter space more. The 2D scan of EC launch angle shows that EC waves launched above the midplane yield a better CD efficiency than using a midplane launcher. Specifically, 10 MW of EC waves launched from LFS above the midplane yield a maximum on axis driven current of about 0.55 MA, while waves launched from top yield a maximum near edge driven current of about 0.45 MA in the region of ρ > 0.5. Scanning of n $\parallel$ in LH spectrum shows that n $\parallel$ should be set around 1.7 to get enough penetration (inside ρ = 0.7) for current drive and avoid strong accessibility problem. It is found that LH waves launched from HFS drives more current than that launched from LFS when n $\parallel$ is small. The maximum LH driven current reaches 1.1 MA with 10 MW of LH power launched from HFS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2021

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2021. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2021 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

TRANSENSOR: Transformer Real-time Assessment INtelligent System with Embedded Network of Sensors and Optical Readout. Final Report

Utilities across the world are wrestling with evolving market dynamics, population growth and climate change. Distributed Energy Resources (DERs) such as solar photovoltaics, distributed generators and energy storage systems are becoming important parts of the U.S. energy mix. These factors are driving an increasing need for low-cost grid asset monitoring. Aside from being costly, traditional utility monitoring systems are not sufficiently robust and do not provide real-time visibility into the condition of grid assets such as transformers. Lack of accurate real-time measurements on performance has resulted in the use of lagging indicators, such as oil sample analysis. To address this need, an innovative embedded optical sensing technology, Transformer Real-time Assessment Intelligent System (TRANSENSOR) was developed, validated and demonstrated in this project. To date, TRANSENSOR has focused on transformers but is extendable to other grid assets. In addition to the technology being embedded into new transformers during manufacturing, a retrofit configuration that can be installed on existing transformers in the field was also developed. It is anticipated that the ability to retrofit existing transformers will help accelerate adoption of the underlying TRANSENSOR technology. Phase 1 of the project focused on laboratory development and qualification of the technology. Following iterations and exploration of relevant optical sensing modalities and multiplexed configurations of interest for the transformer environment, an effective candidate configuration was agreed upon, down-selected and custom-designed for embedding into General Electric (GE) network transformers. Two new GE 500 kilovolt ampere (kVA), 27 kilovolt (kV) distribution network transformers were built with embedded fiber-optic (FO) sensors and successfully qualified per industry standards at GE’s Shreveport, Louisiana facility during Phase 1 of the project. Following the successful completion of Phase 1, the team proceeded to Phase 2, which focused on a field demonstration of the technology. Over Phase 2, the first new GE transformer built with embedded fiber-optic sensors was installed in an above-ground cage and connected to the grid at Con Edison’s Astoria facility. A second transformer equipped with TRANSENSOR was installed in an underground vault. Additionally, an older (1982 year model) GE transformer in an above-ground cage was retrofitted with fiber- optic sensors and reconnected to the grid at ConEd’s facility. Analysis of data acquired from the sensors showed interesting correlations with transformer loading. Additionally, key events such as transformer low-voltage network connection, primary-side energizing, and a pressure loss event from an oil sampling were detected by the TRANSENSOR system. Online data processing/feature extraction algorithms for the second transformer in the underground vault detected key features and event alerts that were transmitted through a wireless 4G connection. The remote deployment concept showed promising results with data collection running for a total of 8 months across the three (3) GE transformers instrumented for the Phase 2 field demonstration. This sets the stage well for further development and commercialization.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Body Unloading Associated with Space Flight and Bed-rest Impacts Functional Performance

The goal of the Functional Task Test study is to determine the effects of space flight on functional tests that are representative of high priority exploration mission tasks and to identify the key underlying physiological factors that contribute to decrements in performance. Ultimately this information will be used to assess performance risks and inform the design of countermeasures for exploration class missions. We are currently conducting studies on both ISS crewmembers and on subjects experiencing 70 days of 6 degrees head-down bed-rest as an analog for space flight. Bed-rest provides the opportunity for us to investigate the role of prolonged axial body unloading in isolation from the other physiological effects produced by exposure to the microgravity environment of space flight. This allows us to parse out the contribution of the body unloading component on functional performance. In this on-going study both ISS crewmembers and bed-rest subjects were tested using an interdisciplinary protocol that evaluated functional performance and related physiological changes before and after 6 months in space and 70 days of 6 head-down bed-rest, respectively. Functional tests included ladder climbing, hatch opening, jump down, manual manipulation of objects and tool use, seat egress and obstacle avoidance, recovery from a fall, and object translation tasks. Crewmembers were tested three times before flight, and on 1, 6 and 30 days after landing. Bed-rest subjects were tested three times before bed-rest and immediately after getting up from bed-rest as well as 1, 6 and 12 days after reambulation. A comparison of bed-rest and space flight data showed a significant concordance in performance changes across all functional tests. Tasks requiring a greater demand for dynamic control of postural equilibrium (i.e. fall recovery, seat egress/obstacle avoidance during walking, object translation, jump down) showed the greatest decrement in performance. Functional tests with reduced requirements for postural stability (i.e. hatch opening, ladder climb, manual manipulation of objects and tool use) showed little reduction in performance. Bed-rest results indicate that body support unloading experienced during space flight plays a central role in postflight alteration of functional task performance. These data point to the importance of providing axial body loading as a central component of an inflight training system that will integrate cardiovascular, resistance and sensorimotor adaptability training modalities into a single interdisciplinary countermeasure system.

Bloomberg, J. J.↗

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2018

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2018. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2018 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Uranium sorption to organic matter and long-term accumulation in a pristine alpine wetland

Understanding the controls on uranium (U) mobility in the environment is key to improve the management of sites contaminated by U mining activities. Previous research has shown that natural or engineered wetlands are particularly able to scavenge high amounts of U(VI) and U(IV) under noncrystalline forms. However, questions remain on the respective roles of sorption and reduction processes in the removal of U from running waters in wetlands, as well as on the long-term stability of U storage. Here, we performed a series of geochemical, isotopic ($δ$ 238 U, ( 234 U/ 238 U)), microscopic (SEM-EDXS, EPMA) and spectroscopic (µ-XRF, µ-XAS, XANES and EXAFS at the U L 3 and M 4 -edges and Fe K-edge) investigations to determine the modes of U accumulation and assess U mobility in a natural exceptionally U-enriched (up to 5000 µg/g) wetland on the shore of Lake Nègre (Mediterranean Alps, France). Uranium (VI) was largely dominant in the two studied soil cores, except a few samples containing as much as ~50 % U(IV). At the particle scale, U is associated to a variety of organic constituents of the soil matrix with a homogenous oxidation state. Bulk EXAFS spectroscopy at the U L 3 -edge shows that U is mostly mononuclear, with dominant monodentate binding to organic moieties (C neighbors at ~3.45 Å). An additional minor fraction of U under polymeric forms is inferred from wavelet (CCWT) analysis of the EXAFS data. These observations are reinforced by 1 M bicarbonate extractions that result in the dissolution of 82–96 % of total U, including putative polymeric species. At the wetland scale, similar or slightly fractionated isotopic ratios ($δ$ 238 U) between the wetland-feeding creek waters and the wetland soils are observed, supporting the idea that U(VI) sorption on organic matter is the primary U scavenging mechanism. Furthermore, it indicates that partial U(VI) reduction to U(IV) occurs as a second step, after sorption. Analysis of U decay chain disequilibria in the cores as a function of depth suggests that U accumulation in this wetland has lasted for several thousand years. In conclusion, we propose that the wetland acts as an active reactor where U has been massively accumulating for ~14500 years, especially as U(VI) forms associated to organic matter and is further partly exported to the lake through soil erosion.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Characterizing Uranus with an Ice giant Planetary Origins Probe (Ice-POP)

We now know from studies of planetary transits and microlensing that Neptune-mass planets are ubitquitous and may be the most common class of planets in the Galaxy. As such it is crucial that we understand the formation and evolution of the ice giant planets in our own solar system so that we can better understand planet formation throughout the galaxy. An entry probe mission to Uranus would help accomplish this goal. In fact the Planetary Decadal Survey recommended a Uranus orbiter with entry probe but did not explore in detail the specifications for the entry probe. NASA Ames is currently studying thermal protection system requirements for such a mission and this has led to questions regarding the minimum interesting science payload of such an entry probe. The single most important in-situ measurement for an ice giant entry probe is a measurement of atmospheric composition. For Uranus this would specifically include the methane and noble gas abundances. An in situ measurement of the methane abundance, from below the methane cloud, would constrain the atmospheric carbon abundance, which is believed to be roughly 30 to 50 times solar. There are hints from the transiting planets that extrasolar ice giants show comparable or even greater enhancements of heavy elements compared to their primary stars. However the origin of this carbon enhancement is controversial. Is Uranus a "failed core" of a larger gas giant or was the atmosphere enhanced by accretion of icy planetesimals' Constraining atmospheric abundances of C and perhaps S or even N from below 5 bars would provide badly needed data to address such issues. A measurement of the N abundance would provide clues on the origin of the planetesimals that formed Uranus. Low N-abundance indicates planetesimals from 'warmer' regions where N was mainly in form of NH3, whereas a strong enrichment could indicate planetesimals / cometary material from the colder outer regions of the nebula. Furthermore CO and HCN have been detected in Neptune but not in Uranus. A measurement of the abundance of either would constrain the source mechanisms for these molecules (exogenic or internal). A major surprise from the Galileo Entry Probe was that the heavier noble gases Ar, Kr, and Xe are enhanced in Jupiter's atmosphere at a level comparable to what was seen for the chemically active volatiles N, C, and S. It had been generally expected that Ar, Kr, and Xe would be present in solar abundances, as all were expected to accrete with hydrogen during the gravitational capture of nebular gases. Enhanced abundances of Ar, Kr, and Xe is equivalent to saying that these noble gases have been separated from hydrogen. There are several mechanisms that could accomplish this but these hypotheses require further testing. Measurement of noble gas abundances in an ice giant would constrain the planetary formation and nebular mechanisms responsible for this enhancement. Standard three-layer models of Uranus find that the outer, predominantly H/He layer of Uranus does not reach pressures high enough (approximately 1 Mbar) for H2 to transition to liquid metallic hydrogen. However, valid models can also be constructed with a smaller intermediate water-rich layer, with hydrogen then reaching the metallic hydrogen phase. If this occurs, He should phase separate from the hydrogen and ``rain out," taking along a substantial abundance of Ne, as suggested for Jupiter (and likely also for Saturn). Hence He and Ne depletions could be probes of the planet's structure in the much deeper interior. A determination of Uranus' atmospheric abundances, particularly of the noble gasses, is thus critical to understanding the formation of Uranus, and giant planets in general. These measurements can only be performed with an entry probe. The second key measurement would be a temperature-pressure sounding to provide ground truth for remote measurements of atmospheric temperature and composition and to constrain the internal heat flow. This would also establish that the methane abundance measurements have indeed been made below any possible methane cloud. Finally an ultra stable oscillator would measure wind speeds and constrain atmospheric dynamics. In our presentation we will discuss the importance of all of these measurements and argue that an entry probe is a crucial component of any ice giant mission.

Marley, Mark S.↗

An Advanced Trajectory-Based Operations Prototype Tool and Focus Group Evaluation

Trajectory-based operations (TBO) is a key concept in the Next Generation Air Transportation System transformation of the National Airspace System (NAS) that will increase the predictability and stability of traffic flows, support a common operational picture through the use of digital data sharing, facilitate more effective collaborative decision making between airspace users and air navigation service providers, and enable increased levels of integrated automation across the NAS. The National Aeronautics and Space Administration (NASA) has been developing trajectory-based systems to improve the efficiency of the NAS during specific phases of flight and is now also exploring Advanced 4-Dimensional Trajectory (4DT) operational concepts that will integrate these technologies and incorporate new technology where needed to create both automation and procedures to support gate-to-gate TBO. A TBO Prototype simulation toolkit has been developed that demonstrates initial functionality that may reside in an Advanced 4DT TBO concept. Pilot and controller subject matter experts (SMEs) were brought to the Air Traffic Operations Laboratory at NASA Langley Research Center for discussions on an Advanced 4DT operational concept and were provided an interactive demonstration of the TBO Prototype using four example scenarios. The SMEs provided feedback on potential operational, technological, and procedural opportunities and concerns. After viewing the interactive demonstration scenarios, the SMEs felt the operational capabilities demonstrated would be useful for performing TBO while maintaining situation awareness and low mental workload. The TBO concept demonstrated produced defined routings around weather which resulted in a more organized, consistent flow of traffic where it was clear to both the controller and pilot what route the aircraft was to follow. In general, the controller SMEs felt that traffic flow management should be responsible for generating and negotiating the operational constraints demonstrated, in cooperation with the Air Traffic Control System Command Center, while air traffic control should be responsible for the implementation of those constraints. The SMEs also indicated that digital data communications would be very beneficial for TBO operations and would result in less workload due to reduced communications, would eliminate issues due to language barriers and frequency problems, and would make receiving, loading, accepting, and executing clearances easier, less ambiguous, and more expeditious. This paper describes an Advanced 4DT operational concept, the TBO Prototype, the demonstration scenarios and methods used, and the feedback obtained from the pilot and controller SMEs in this focus group evaluation.

Guerreiro, Nelson M.↗

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2020

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2020. The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2020. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2020 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

Resource Conservation and Recovery Act↗

Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO 3 (010) Surface

Density functional theory (DFT) calculations were performed on the multistep hydrodeoxygenation (HDO) of acetone (CH 3 COCH 3 ) to propylene (CH 3 CHCH 2 ) on a molybdenum oxide (α-MoO 3 ) catalyst following an oxygen vacancy-driven pathway. First, a perfect O-terminated α-MoO 3 (010) surface based on a 4 × 2 × 4 supercell is reduced by molecular hydrogen (H 2 ) to generate a terminal oxygen (O t ) defect site. This process occurs via a dissociative chemisorption of H 2 on adjacent surface oxygen atoms, followed by an H transfer to form a water molecule (H 2 O). Next, adsorption of CH 3 COCH 3 on the oxygen-deficient Mo site forms an O–Mo bond and then the chemisorbed CH 3 COCH 3 forms CH 3 COCH 2 by transfer of an H atom to an adjacent O t site. The surface bound hydroxyl (OH) then transfers the H atom to the immobilized O atom to form surface-bound enol, CH 3 CHOCH 2 . The next step releases CH 3 CHCH 2 into the gas phase, while simultaneously oxidizes the surface back to a perfect O-terminated α-MoO 3 (010) surface. The adsorption of H 2 , and the formation of a terminal oxygen (Ot) vacancy, moves the conduction band minimum (CBM) from 1.2 eV to 0 and 0.3 eV, respectively. Climbing image-nudged elastic band (CI-NEB) calculations using a Perdew–Burke–Ernzerhof (PBE) functional in combination with double-ζ valence (DZV) basis sets indicate that the dissociative adsorption of H 2 is the rate-limiting step for the catalytic cycle with a barrier of 1.70 eV. Furthermore, the lower barrier for surface-mediated H transfer from primary-to-secondary carbon atom (0.63 eV) compared to that of a concerted direct H transfer to the secondary C atom with simultaneous desorption (2.02 eV) emphasizes the key role played by the surface in H transfer for effective deoxygenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of the Trade Space Between UAS Maneuver Performance and SAA System Performance Requirements

A need exists to safely integrate Unmanned Aircraft Systems (UAS) into the National Airspace System. Replacing manned aircraft's see-and-avoid capability in the absence of an onboard pilot is one of the key challenges associated with safe integration. Sense-and-avoid (SAA) systems will have to achieve yet-to-be-determined required separation distances for a wide range of encounters. They will also need to account for the maneuver performance of the UAS they are paired with. The work described in this paper is aimed at developing an understanding of the trade space between UAS maneuver performance and SAA system performance requirements. An assessment of current manned and unmanned aircraft performance was used to establish potential UAS performance test matrix bounds. Then, nearterm UAS integration work was used to narrow down the scope. A simulator was developed with sufficient fidelity to assess SAA system performance requirements for a wide range of encounters. The simulator generates closest-point-of-approach (CPA) data from the wide range of UAS performance models maneuvering against a single intruder with various encounter geometries. The simulator is described herein and has both a graphical user interface and batch interface to support detailed analysis of individual UAS encounters and macro analysis of a very large set of UAS and encounter models, respectively. Results from the simulator using approximate performance data from a well-known manned aircraft is presented to provide insight into the problem and as verification and validation of the simulator. Analysis of climb, descent, and level turn maneuvers to avoid a collision is presented. Noting the diversity of backgrounds in the UAS community, a description of the UAS aerodynamic and propulsive design and performance parameters is included. Initial attempts to model the results made it clear that developing maneuver performance groups is required. Discussion of the performance groups developed and how to know in which group an aircraft belongs for a given flight condition and encounter is included. The groups are specific to airplane, flight condition, and encounter, rather than airplane-only specific. Results and methodology for developing UAS maneuver performance requirements are presented for each maneuver as well. Results for the vertical maneuver indicate that a minimum specific excess power value can assure a minimum CPA for a given time-to-go prediction. However, smaller values of specific excess power may achieve or exceed the same CPA if the UAS has sufficient speed to trade for altitude. Level turn results are less impacted by specific excess power and are presented as a function of turn rate. The effect of altitude is also discussed for the turns. Next steps and future work are discussed. Future studies will lead to better quantification of the preliminary results and cover the remainder of the proposed test matrix. It is anticipated that this will be done in conjunction with RTCA SC-228 over the next few months.

Jack, Devin P.↗

Search for Dark Matter with the LZ Experiment

Overwhelming evidence from astrophysical observations indicates that only 20% of the matter in the universe consists of ordinary matter, while the remaining 80% is made of some form of matter called "dark matter''. Although these indirect astrophysical observations convince us that dark matter exists, dark matter has not yet been directly observed. The standard model of particle physics, which has been very successful in explaining the properties of ordinary matter, can neither explain dark matter's presence nor its properties. The discovery and identification of dark matter would have a profound impact on cosmology, astronomy, and particle physics. A leading dark matter candidate consistent with all astrophysical data is a weakly interacting massive particle (WIMP). WIMPs could be detected through their interactions with atomic nuclei in specially designed detectors. Since the collision rates are expected to be very small (a few collisions per year for a 1-ton detector), large detectors with low backgrounds and excellent detection capability for rare collisions are needed to gain knowledge of the nature of dark matter. With dark matter experiments such as the LZ experiment, we are in a position to detect and study this dark matter through sensitive terrestrial direct detection experiments. If no discovery is made with LZ, it will be very difficult to reconcile the sensitivity limit of this experiment with most conventional WIMP scenarios, and alternate paradigms will have to be strongly considered for dark matter. The main focus of the U-M dark matter group over the past two years was on design validation and fabrication for the LZ project, followed by commissioning and operation of the LZ dark matter experiment, and the analysis of the science data during the following funding cycle. The U-M dark matter group had identified two key areas to contribute to the LZ project: the design and fabrication of a radon removal element for the xenon circulation system, and the execution and coordination of prototyping and design validation performed by the small xenon chamber group.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Gravitational-wave signal of a core-collapse supernova explosion of a 15M ⊙ star

In this paper we report on the gravitational-wave signal computed in the context of a three-dimensional simulation of a core-collapse supernova explosion of a 15 M ⊙ star. The simulation was performed with our neutrino hydrodynamics code chimera . We detail the gravitational wave strains as a function of time, for both polarizations, and discuss their physical origins. We also present the corresponding spectral signatures. Gravitational wave emission in our model has two key features: low-frequency emission (less than 200 Hz) emanates from the gain layer as a result of neutrino-driven convection and the standing accretion shock instability (SASI), and high-frequency emission (greater than 600 Hz) emanates from the proto–neutron star due to Ledoux convection within it. The high-frequency emission dominates the gravitational wave emission in our model and emanates largely from the convective layer itself, not from the convectively stable layer above it, due to convective overshoot. Moreover, the low-frequency emission emanates from the gain layer itself, not from the proto–neutron star, due to accretion onto it. We provide evidence of the SASI in our model and demonstrate that the peak of our low-frequency gravitational wave emission spectrum corresponds to it. Given its origin in the gain layer, we classify the SASI emission in our model as p-mode emission and assign a purely acoustic origin, not a vortical–acoustic origin, to it. We compare the results of our three-dimensional model analysis with those obtained from the model’s two-dimensional counterpart and find a significant reduction in the strain amplitudes in the former case, as well as significant reductions in all related quantities. Our dominant proto–neutron star gravitational wave emission is not well characterized by emission from surface g modes, complicating the relationship between peak frequencies observed and the mass and radius of the proto–neutron star expressed by analytic estimates under the assumption of surface g-mode emission. We present our frequency normalized characteristic strain along with the sensitivity curves of current- and next-generation gravitational wave detectors. This simple analysis indicates that the spectrum of gravitational wave emission between approximately 20 Hz and approximately 1 kHz, stemming from neutrino-driven convection, the SASI, accretion onto the proto–neutron star, and proto–neutron star convection, will be accessible for a Galactic event.

79 ASTRONOMY AND ASTROPHYSICS↗

Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal–Organic Framework

Despite the promising previous reports on the development of electrocatalytic dithiolene-based metal–organic frameworks (MOFs) for the hydrogen evolution reaction (HER), these materials often display poor reproducibility of the HER performance because of their poor bulk properties upon integration with electrode materials. In this work, we demonstrate an in-depth investigation of the electrocatalytic HER activity of a cobalt 2,3,6,7,10,11-triphenylenehexathiolate (CoTHT) MOF. To enhance the durability and charge transport properties of the constructed CoTHT/electrode architecture, CoTHT is deposited as an ink composite (1) composed of Nafion and carbon black. We leverage here the well-established use of catalyst inks in the literature to increase adhesion of the catalyst to the electrode surface and to improve the overall electrical conductivity of the integrated catalyst/electrode. The utilization of the composite 1 leads to a significant improvement in the overpotential (η) to reach a current density of 10 mA/cm 2 (η = 143 mV) compared to prior reports, resulting in the most active MOF-based electrocatalyst for the HER that contains only earth-abundant elements. Extensive density functional theory (DFT) calculations were applied to understand the structure of CoTHT and the mechanistic pathways of the HER. The computational results suggest that an AB stacking geometry is energetically favorable, where one layer is slipped by 1.6 Å relative to the neighboring one along the a and b vectors. Additionally, the DFT calculations indicate that the catalytic cycle likely involves a Volmer discharge step to generate a cobalt hydride, followed by a Heyrovsky step to form a cobalt–H 2 intermediate, and finally the dissociation of H 2 .

DFT calculations↗