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NASA NTRS2018

Developing a Community of Practice for Applied Uses of Future PACE Data to Address Food Security Challenges

Ocean color satellite measurements have yielded valuable information about the base of the marine food web for over 20 years. The Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission is building an advanced spectrometer to further refine ecosystem monitoring. Higher spectral resolution data from PACE will enable identification of additional marine biological indicators and their response to multiple stressors to guide sustainable management. Seafood is an important source of protein for a significant number of people. Wild catches cannot match increasing demand and their sustainability is in question. Aquaculture is an ever more important industry to feed the world's population. We share early efforts to engage a community of practice around food security to increase satellite data product use in support of resource management, business decisions, and policy analysis. Understanding the needs of applied scientists as well as non-traditional users of satellite data early in the PACE mission process will improve planning and preparation for a broader user base and hopefully help to mitigate food insecurity.

Schollaert Uz, Stephanie↗

DOE OSTI2013

Development of an Integrated Raman and Turbidity Fiber Optic Sensor for the In-Situ Analysis of High Level Nuclear Waste - 13532

Stored nuclear waste must be retrieved from storage, treated, separated into low- and high-level waste streams, and finally put into a disposal form that effectively encapsulates the waste and isolates it from the environment for a long period of time. Before waste retrieval can be done, waste composition needs to be characterized so that proper safety precautions can be implemented during the retrieval process. In addition, there is a need for active monitoring of the dynamic chemistry of the waste during storage since the waste composition can become highly corrosive. This work describes the development of a novel, integrated fiber optic Raman and light scattering probe for in situ use in nuclear waste solutions. The dual Raman and turbidity sensor provides simultaneous chemical identification of nuclear waste as well as information concerning the suspended particles in the waste using a common laser excitation source. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Radionuclide identification algorithm for organic scintillator-based radiation portal monitor

We have developed an algorithm for on-the-fly radionuclide identification for radiation portal monitors using organic scintillation detectors. The algorithm was demonstrated on experimental data acquired with our pedestrian portal monitor on moving special nuclear material and industrial sources at a purpose-built radiation portal monitor testing facility. The experimental data also included common medical isotopes. The algorithm takes the power spectral density of the cumulative distribution function of the measured pulse height distributions and matches these to reference spectra using a spectral angle mapper. F-score analysis showed that the new algorithm exhibited significant performance improvements over previously implemented radionuclide identification algorithms for organic scintillators. Reliable on-the-fly radionuclide identification would help portal monitor operators more effectively screen out the hundreds of thousands of nuisance alarms they encounter annually due to recent nuclear-medicine patients and cargo containing naturally occurring radioactive material. Lastly, portal monitor operators could instead focus on the rare but potentially high impact incidents of nuclear and radiological material smuggling detection for which portal monitors are intended.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Gamma imaging and mapping advancements

The Savannah River National Lab (SRNL) in partnership with Los Alamos National Lab (LANL) developed an in-situ GrayQb™ radiation mapping device eliminating the need to remove the radiation sensitive phosphor storage plate (PSP) from the device for scanning between exposures. By incorporating a customized version of the LANL patented MiniMax camera-based PSP reader system into the GrayQb™ housing, the exposed PSP can now be read in-situ and digitally transmitted to a remote computer for viewing. The ability to generate radiation contour maps showing source locations and relative radiological levels present in an area has high utility for targeting clean-up efforts, maintaining worker ALARA, determining leak locations and radiological situational awareness. In-situ GrayQb™ reduces the number of required interactions with the device providing deployment cost savings, increasing personnel safety and removing human handling errors during the manual scan process. Additionally, by negating the need for an external scanner, the device becomes more mobile. Other upgrades to the device included identification of a more sensitive imaging medium and incorporation of a dual pinhole rendering the device physically capable of obtaining 3D images. Laboratory tests with Am-241 sources using a mockup of the in-situ GrayQ™, successfully demonstrated the ability to digitally capture radiation source information using the dual pinhole and camera-based PSP reader.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Marine Hydrokinetic Energy Site Identification and Ranking Methodology Part I: Wave Energy

Marine hydrokinetic energy is a promising and growing piece of the renewable energy sector that offers high predictability and additional energy sources for a diversified energy economy. This report investigates the market opportunities for wave energy along the U.S. coastlines. It is part one of a two-part investigation into the United State's two largest marine hydrokinetic resources (wave and tidal). Wave energy technology is still an emerging form of renewable energy for which large-scale, grid-connected project costs are currently poorly defined. Ideally, device designers would like to know the resource conditions at economical project sites so they can optimize device designs. On the other hand, project developers need detailed device cost data to identify sites where projects are economical. That is, device design and siting are, to some extent, a coupled problem. This work describes a methodology for identifying likely deployment locations based on a set of criteria that wave energy experts in industry, academia, and national laboratories agree are likely to be important factors for all technology types. This work groups the data for the six criteria into 'locales' that are defined as the smaller of either the local transmission grid or a state boundary. The former applies to U.S. islands (e.g., Hawaii, American Samoa) and rural villages (e.g., in Alaska); the latter applies to states in the contiguous United States. These data are then scored from 0 to 10 according to scoring functions that were developed with input from wave energy industry and academic experts. The scores are aggregated using a simple product method that includes a weighting factor for each criterion. This work presents two weighting scenarios: a long-term scenario that does not include energy price (weighted zero) and a near term scenario that includes energy price. The aggregated scores are then used to produce ranked lists of likely deployment locales. In both scenarios, Hawaii and the Pacific Northwest (northern California, Oregon, and Washington) rank at the top of the lists. Hawaii ranks highest in the near-term scenario because it has high energy costs. In the long-term scenario, Oregon ranks highest because it has a large market and an energetic resource. Several East Coast states and Puerto Rico are also identified as potential wave energy deployment sites if technological innovations make it possible to efficiently generate electricity from the modest resource there. There are also several small-market sites in Alaska and U.S. Pacific Islands that rank particularly well in the near-term analysis due to their high energy prices. These locations may represent opportunities to demonstrate economical wave energy conversion as a stepping-stone to larger markets. Several factors that will affect wave project costs and siting have not been considered here -- including permitting constraints, conflicting use, seasonal resource variability, extreme event likelihood, and distance to ports -- because consistent data are unavailable or technology-independent scoring could not be identified. As the industry continues to mature and converge around a subset of device archetypes with well-defined costs, more precise investigations of project siting that include these factors will be possible. For now, these results provide a high-level guide pointing to the regions where markets and resource will one day support commercial wave energy projects.

16 TIDAL AND WAVE POWER↗

DOE OSTI2016

Marine Hydrokinetic Energy Site Identification and Ranking Methodology Part II: Tidal Energy

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets

The SARS-CoV2 pandemic has highlighted the importance of efficient and effective methods for identification of therapeutic drugs, and in particular has laid bare the need for methods that allow exploration of the full diversity of synthesizable small molecules. While classical high-throughput screening methods may consider up to millions of molecules, virtual screening methods hold the promise of enabling appraisal of billions of candidate molecules, thus expanding the search space while concurrently reducing costs and speeding discovery. Here, we describe a new screening pipeline, called drugsniffer, that is capable of rapidly exploring drug candidates from a library of billions of molecules, and is designed to support distributed computation on cluster and cloud resources. As an example of performance, our pipeline required ~40,000 total compute hours to screen for potential drugs targeting three SARS-CoV2 proteins among a library of ~3.7 billion candidate molecules.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

Optical identification of Balmer-dominated supernova remnants in the Large Magellanic Cloud

Optical emission-line images are presented for four SNR's that are luminous X-ray sources and that were recently discovered during an X-ray survey of the LMC. The images reveal distinct filamentary shells that are prominent in the Balmer lines of H but are either absent or very weak in forbidden O III and forbidden S II emission. One remnant exhibits clear evidence for velocity-broadened H-alpha emission, and all four are expanding into regions with a relatively low H I density. It is shown that both the broad H-alpha emission and the Balmer-dominated spectra can be understood in terms of a very high-velocity nonradiative shock encountering gas that is partially neutral. The optical, X-ray, and radio properties of the LMC remnants are compared with those of relatively young galactic SNR's. It is concluded that all four LMC remnants resulted from Type I supernovae.

Tuohy, I. R.↗

NASA NTRS1993

New 3 millimeter observations of interstellar HNO - Reinstating a discredited identification

HNO has been observed in six interstellar clouds via its 1(01)-0(00) transition at 3 mm wavelength. L134N, W33A, W51M, and DR 21 are new HNO sources. The excellent agreement between laboratory and astronomical rest frequency in L134N is important for establishing the correctness of the astronomical assignment of this line. With the exception of Ori A, every known NO source contains detectable HNO. The typical column density ratio N(tot)(NO)/N(tot)(HNO) appears to be 100-200, except for L134N (about 800) and DR 21(OH) (about 20). These new HNO results correct several misconceptions in the current literature.

Snyder, Lewis E.↗

DOE OSTI2015

Convergence of Vehicle and Infrastructure Data for Traffic and Demand Management

The increasing availability of highly granular, vehicle trajectory data combined with ever increasing stores of roadway sensor data has provided unparalleled observability into the operation of our urban roadway networks. These data sources are quickly moving from research and prototype environments into full-scale commercial deployment and data offerings. The observability gained allows for increased control opportunities to enhance transportation mobility, safety and energy efficiency. The National Renewable Energy Laboratory (NREL) is involved in three initiatives to leverage these data for positive outcomes: 1) In 2015 NREL, in cooperation with industry and university partners, was awarded an ARPA-E research grant to research a control architecture to incentivize individual travelers toward more sustainable travel behavior. Based on real-time data on the traveler's destination and state of the system, the traveler is presented with route and/or mode choices and offered incentives to accept sustainable alternatives over less-sustainable ones. The project tests the extent to which small incentives can influence, or tip the balance toward more sustainable travel behavior. 2) Although commercial sources of travel time and speed have emerged in recent years based on vehicle probe data, volume estimates continue to rely primarily on historical count data factored for the time of day, day of week, and season of year. Real-time volume flows would enable better tools, simulation in the loop, and ultimately more effective control outcomes. NREL in cooperation with the University of Maryland and industry traffic data providers (INRIX, HERE and TomTom), are attempting to accelerate the timeframe to a viable real-time vehicle volume data feed based on probe data. 3) Signal control on urban arterials for years has had to rely on models rather than measured data to assess performance. High-resolution controller data and low-cost re-identification data now allows for direct measurement of the quality of progression along a corridor. Though still requiring an investment in equipment and communications, these data sources are transforming traffic signal management to a data driven, performance management basis. Ever increasing availability of granular GPS trace data from automobiles may allow for assessment of traffic signal performance, allowing for signal optimization while minimizing the investment in additional sensors and communication infrastructure.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2019

Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns

Confident identification of unknown chemicals in high resolution mass spectrometry (HRMS) screening studies requires cohesive workflows and complementary data, tools, and software. Chemistry databases, screening libraries, and chemical metadata have become fixtures in identification workflows. To increase confidence in compound identifications, the use of structural fragmentation data collected via tandem mass spectrometry (MS/MS or MS2) is vital. However, the availability of empirically collected MS/MS data for identification of unknowns is limited. Researchers have therefore turned to in silico generation of MS/MS data for use in HRMS-based screening studies. This paper describes the generation en masse of predicted MS/MS spectra for the entirety of the US EPA’s DSSTox database using competitive fragmentation modelling and a freely available open source tool, CFM-ID. The generated dataset comprises predicted MS/MS spectra for ~700,000 structures, and mappings between predicted spectra, structures, associated substances, and chemical metadata. Together, these resources facilitate improved compound identifications in HRMS screening studies. These data are accessible via an SQL database, a comma-separated export file (.csv), and EPA’s CompTox Chemicals Dashboard.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1987

Radio structure in the inner 1 arcsecond of NGC 1068

High-resolution VLA and VLBI observations of NGC 1068 at several different wavelengths are reported. These observations provide new information about the triple radio source in the central arcsec (75 pc) of the galaxy. The 21-cm European VLBI Network observations at 0.05-arcsec resolution detect a core of flux density 89 + or - 10 mJy. This core is dominated by a component less than 20 marcsec (1.5 pc) in diameter that has a brightness temperature of about 10 to the 8th K. Two more components may have been detected by the VLBI observations, one on either side of the compact core. At 0.07-arcsec resolution, the 1.3-cm VLA map of the central arcsec of NGC 1068 reveals a C-shaped radio morphology on scales from 10 to 50 pc. A comparison of the relative locations of the three components in the VLA and VLBI maps shows that the compact core in the VLBI map probably should be identified with the central component in the 1.3- and 2-cm VLA maps. If this identification is correct, the central component in the VLA maps is the actual nucleus of the galaxy. The core of the inner triple radio source may contain a significant flat-spectrum component. The presence of a compact core and the evidence for bending strengthen the argument that the inner triple radio source is produced by a mechanism similar to that operating in powerful radio galaxies. For a minimum-energy configuration, magnetic-field strengths of about 1 mG and energy densities of about 100 nerg/cu cm are found for the components of this source.

Ulvestad, James S.↗

DOE OSTI2024

Moving toward automated µFTIR spectra matching for microplastic identification: addressing false identifications and improving accuracy

Abstract Infrared spectroscopy is a widely used tool for studying microplastics and identifying microparticles. Researchers rely on spectral libraries to differentiate between synthetic and natural materials. Unfortunately, spectral library matching is not perfect, and best practices require researchers to use time consuming, manual peak matching to assess spectral matches. Moving toward automated matching requires increased confidence in the matching process. Using spectra matching software may increase the efficiency of particle identification, however some matching strategies may confuse natural materials such as cotton, silk, and plant matter with common classes of synthetics such as polyesters and polyamides. In this experiment, we prepared 22 pristine sample materials from natural and synthetic sources and measured micro-Fourier transform infrared (µFTIR) spectra in transmission mode for each sample using a Thermo Nicolet iN10 MX instrument. The collected spectra were then input into two spectral library matching systems (Omnic Picta and Open Specy), using a total of five identification routines. Next, we placed a subset of four pristine microplastic materials in a biologically active river system for two weeks to simulate environmental samples. These simulated environmental samples were processed using 10% hydrogen peroxide for 24 h to remove organic contamination and then identified using the strongest performing library. We found that libraries with fewer sample spectra produced lower correlation matches and that using derivative correction greatly reduced the number of inaccuracies in identifying materials as either natural or synthetic. We also found that environmental fouling reduced the correlation value of library matches when compared to pristine particles, however the effect was not consistent across the four materials tested. Overall, we found that the accuracy of automated library matching in the tested systems and processing routines varied from 64.1 to 98.0% for distinguishing between natural and synthetic materials, and that a high Hit Quality Index (HQI) did not always correlate with accuracy. These results are important for the microplastic field, demonstrating a need to rigorously test spectral libraries and processing routines with known materials to ensure identification accuracy.

Kozloski, Rachel↗

DOE OSTI2014

Recovery Act: Advanced Load Identification and Management for Buildings

In response to the U.S. Department of Energy (DoE)’s goal of achieving market ready, net-zero energy residential and commercial buildings by 2020 and 2025, Eaton partnered with the Department of Energy’s National Renewable Energy Laboratory (NREL) and Georgia Institute of Technology to develop an intelligent load identification and management technology enabled by a novel “smart power strip” to provide critical intelligence and information to improve the capability and functionality of building load analysis and building power management systems. Buildings account for 41% of the energy consumption in the United States, significantly more than either transportation or industrial. Within the building sector, plug loads account for a significant portion of energy consumption. Plug load consumes 15-20% of building energy on average. As building managers implement aggressive energy conservation measures, the proportion of plug load energy can increase to as much as 50% of building energy leaving plug loads as the largest remaining single source of energy consumption. This project focused on addressing plug-in load control and management to further improve building energy efficiency accomplished through effective load identification. The execution of the project falls into the following three major aspects; An intelligent load modeling, identification and prediction technology was developed to automatically determine the type, energy consumption, power quality, operation status and performance status of plug-in loads, using electric waveforms at a power outlet level. This project demonstrated the effectiveness of the developed technology through a large set of plug-in loads measurements and testing; A novel “Smart Power Strip (SPS) / Receptacle” prototype was developed to act as a vehicle to demonstrate the feasibility of load identification technology as a low-cost, embedded solution; and Market environment for plug-in load control and management solutions, in particular, advanced power strips (APSs) was studied. The project evaluated the market potential for Smart Power Strips (SPSs) with load identification and the likely impact of a load identification feature on APS adoption and effectiveness. The project also identified other success factors required for widespread APS adoption and market acceptance. Even though the developed technology is applicable for both residential and commercial buildings, this project is focused on effective plug-in load control and management for commercial buildings, accomplished through effective load identification. The project has completed Smart Receptacle (SR) prototype development with integration of Load ID, Control/Management, WiFi communication, and Web Service. Twenty SR units were built, tested, and demonstrated in the Eaton lab; eight SR units were tested in the National Renewable Energy Lab (NREL) for one-month of field testing. Load ID algorithm testing for extended load sets was conducted within the Eaton facility and at local university campuses. This report is to summarize the major achievements, activities, and outcomes under the execution of the project.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1991

Radio properties of extragalactic IRAS sources

The present study identifies extragalactic sources from the IRAS Faint Source Catalog by position coincidence with radio sources stronger than 25 mJy and lying north of +5 deg on the Green Bank 4.85 GHz sky maps. Published VLA maps, new 4.86 GHz VLA maps made with 15-arcsec resolution, and accurate optical positions are used to confirm 122 of these candidate identifications. Normal and starburst spiral galaxies were found to comprise about 97 percent of the FIR flux-limited sample. Radio-loud 'monsters' with q less than 2.25 dominate the radio emission from about 2 percent of the FIR source sample, and radio-quiet monsters are responsible for the FIR emission from less than about 1 percent of the FIR sample. All of the radio-identified sources are optically identified, mostly with relatively bright nearby galaxies. No evidence was found for any new populations of high-redshift FIR sources, nonthermal sources with steep FIR/optical spectra, or dust-shrouded sources visible only at FIR and radio wavelengths.

Condon, J. J.↗

DOE OSTI2019

Direct Nanoscale Characterization of Deep Levels in AgCuInGaSe 2 Using Electron Energy–Loss Spectroscopy in the Scanning Transmission Electron Microscope

A new experimental framework for the characterization of defects in semiconductors is demonstrated. Through the direct, energy-resolved correlation of three analytical techniques spanning six orders of magnitude in spatial resolution, a critical mid-bandgap electronic trap level (E V + 0.56 eV) within Ag 0.2 Cu 0.8 In 1–x Ga x Se 2 is traced to its nanoscale physical location and chemical source. This is achieved through a stepwise, site-specific correlated characterization workflow consisting of device-scale (≈1 mm 2 ) deep level transient spectroscopy (DLTS) to survey the traps present, scanning probe–based DLTS (scanning-DLTS) for mesoscale-resolved (hundreds of nanometers) mapping of the target trap state’s spatial distribution, and scanning transmission electron microscope based electron energy-loss spectroscopy (STEM-EELS) and X-ray energy-dispersive spectroscopy for nanoscale energy-, structure, and chemical-resolved investigation of the defect source. Furthermore, this first demonstration of the direct observation of sub-bandgap defect levels via STEM-EELS, combined with the DLTS methods, provides strong evidence that the longsuspected Cu In/Ga substitutional defects are indeed the most likely source of the E V + 0.56 eV trap state and serves as a key example of this approach for the fundamental identification of defects within semiconductors, in general.

14 SOLAR ENERGY↗

DOE OSTI2018

Thermoelectric DC conductivities in hyperscaling violating Lifshitz theories

We analytically compute the thermoelectric conductivities at zero frequency (DC) in the holographic dual of a four dimensional Einstein-Maxwell-Axion-Dilaton theory that admits a class of asymptotically hyperscaling violating Lifshitz backgrounds with a dynamical exponent z and hyperscaling violating parameter θ. We show that the heat current in the dual Lifshitz theory involves the energy flux, which is an irrelevant operator for z > 1. The linearized fluctuations relevant for computing the thermoelectric conductivities turn on a source for this irrelevant operator, leading to several novel and non-trivial aspects in the holographic renormalization procedure and the identification of the physical observables in the dual theory. Moreover, imposing Dirichlet or Neumann boundary conditions on the spatial components of one of the two Maxwell fields present leads to different thermoelectric conductivities. Thus, Dirichlet boundary conditions reproduce the thermoelectric DC conductivities obtained from the near horizon analysis of Donos and Gauntlett, while Neumann boundary conditions result in a new set of DC conductivities. We make preliminary analytical estimates for the temperature behavior of the thermoelectric matrix in appropriate regions of parameter space. In particular, at large temperatures we find that the only case which could lead to a linear resistivity ρ ~ T corresponds to z = 4/3.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Characterization and biofouling potential analysis of two cyanobacterial strains isolated from Cape Verde and Morocco

Abstract Cyanobacteria are new sources of value-added compounds but also ubiquitous and harmful microfoulers on marine biofouling. In this work, the isolation and identification of two cyanobacterial strains isolated from Cape Verde and Morocco, as well as their biofilm-forming ability on glass and Perspex under controlled hydrodynamic conditions, were performed. Phylogenetic analysis revealed that cyanobacterial strains isolated belong to Leptothoe and Jaaginema genera (Leptothoe sp. LEGE 181153 and Jaaginema sp. LEGE 191154). From quantitative and qualitative data of wet weight, chlorophyll a content and biofilm thickness obtained by optical coherence tomography, no significant differences were found in biofilms developed by the same cyanobacterial strain on different surfaces (glass and Perspex). However, the biofilm-forming potential of Leptothoe sp. LEGE 181153 proved to be higher compared with Jaaginema sp. LEGE 191154, particularly at the maturation stage of biofilm development. Three-dimensional biofilm images obtained from confocal laser scanning microscopy showed different patterns between both cyanobacterial strains and also among the two surfaces. Because standard methodologies to evaluate cyanobacterial biofilm formation, as well as two different optical imaging techniques, were used, this work also highlights the possibility of integrating different techniques to evaluate a complex phenomenon like cyanobacterial biofilm development.

Romeu, Maria J. (ORCID:0000000210945425)↗