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All sources NASA NTRS DOE OSTI

DOE OSTI2021

An Overview of Gemma FY2021 Verification Activities

Though the method-of-moments implementation of the electric-field integral equation plays an important role in computational electromagnetics, it provides many code-verification challenges due to the different sources of numerical error and their possible interactions. Matters are further complicated by singular integrals, which arise from the presence of a Green's function. In this report, we document our research to address these issues, as well as its implementation and testing in Gemma.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1987

A review of transonic code validation research activities

It is established that Computational Fluid Dynamics (CFD) code validation is an integral part of all flow testing. Specific attention is given to the development of new methods/instruments to obtain time varying 3-D data. Additionally, a discussion concerning wind tunnels and small test facilities is presented. All results and data are presented in viewgraph form.

Bobbitt, Percy J.↗

NASA NTRS2001

Human Dimensions of Deforestation and Regrowth in the Brazilian Amazon: Integrating Data from Satellites, Demographic Censuses, and Field Surveys

This report summarizes research activities and products from a collaborative project on the "Human Dimensions of Deforestation and Regrowth in the Brazilian Amazon," awarded to Charles H. Wood (PI; Department of Sociology, University of Texas at Austin, now in the Center for Latin American Studies, University of Florida), Steven E. Sanderson (Co-PI; Department of Political Science, University of Florida, now Dean of Emory College, Emory University) and David L. Skole (Co-PI; Institute for Earth, Oceans and Space, University of New Hampshire, now in the Department of Geography and Basic Science Remote Sensing Initiative, Michigan State University).

Wood, Charles H.↗

NASA NTRS2009

Metabolic and Subjective Results Review of the Integrated Suit Test Series

Crewmembers will perform a variety of exploration and construction activities on the lunar surface. These activities will be performed while inside an extravehicular activity (EVA) spacesuit. In most cases, human performance is compromised while inside an EVA suit as compared to a crewmember s unsuited performance baseline. Subjects completed different EVA type tasks, ranging from ambulation to geology and construction activities, in different lunar analog environments including overhead suspension, underwater and 1-g lunar-like terrain, in both suited and unsuited conditions. In the suited condition, the Mark III (MKIII) EVA technology demonstrator suit was used and suit pressure and suit weight were parameters tested. In the unsuited conditions, weight, mass, center of gravity (CG), terrain type and navigation were the parameters. To the extent possible, one parameter was varied while all others were held constant. Tests were not fully crossed, but rather one parameter was varied while all others were left in the most nominal setting. Oxygen consumption (VO2), modified Cooper-Harper (CH) ratings of operator compensation and ratings of perceived exertion (RPE) were measured for each trial. For each variable, a lower value correlates to more efficient task performance. Due to a low sample size, statistical significance was not attainable. Initial findings indicate that suit weight, CG and the operational environment can have a large impact on human performance during EVA. Systematic, prospective testing series such as those performed to date will enable a better understanding of the crucial interactions of the human and the EVA suit system and their environment. However, work remains to be done to confirm these findings. These data have been collected using only unsuited subjects and one EVA suit prototype that is known to fit poorly on a large demographic of the astronaut population. Key findings need to be retested using an EVA suit prototype better suited to a larger anthropometric portion of the astronaut population, and elements tested only in the unsuited condition need to be evaluated with an EVA suit and appropriate analog environment.

Norcross, J.R.↗

DOE OSTI2022

Optimal Electric Grid Black Start Restoration Subject to Intentional Threats

Efficient restoration of the electric grid from significant disruptions – both natural and manmade – that lead to the grid entering a failed state is essential to maintaining resilience under a wide range of threats. Restoration follows a set of black start plans, allowing operators to select among these plans to meet the constraints imposed on the system by the disruption. Restoration objectives aim to restore power to a maximum number of customers in the shortest time. Current state-of-the-art for restoration modeling breaks the problem into multiple parts, assuming a known network state and full observability and control by grid operators. These assumptions are not guaranteed under some threats. This paper focuses on a novel integration of modeling and analysis capabilities to aid operators during restoration activities. A power flow-informed restoration framework, comprised of a restoration mixed-integer program informed by power flow models to identify restoration alternatives, interacts with a dynamic representation of the grid through a cognitive model of operator decision-making, to identify and prove an optimal restoration path. Application of this integrated approach is illustrated on exemplar systems. Validation of the restoration is performed for one of these exemplars using commercial solvers, and comparison is made between the steps and time involved in the commercial solver, and that required by the restoration optimization in and of itself, and by the operator model in acting on the restoration optimization output. Publications and proposals developed under this work, along with a path forward for additional expansion of the work, and summary of what was achieved, are also documented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1992

H-N2 interaction energies, transport cross sections, and collision integrals

The energies for the interaction of a hydrogen atom with a nitrogen molecule have been calculated for large separation distances using a complete-active-space self-consistent-field/externally contracted configuration interaction method. H-N2 transport cross sections and collision integrals have been calculated using sudden approximations and a semiclassical description of the scattering. The values of these quantities are found to be close to the corresponding values determined from the average (isotropic) potential energy. The collision integrals are applied to determine diffusion and viscosity coefficients; the theoretical diffusion agrees well with the measured data available from experiments at low temperatures.

Stallcop, James R.↗

DOE OSTI2022

Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate

NMR-assisted crystallography-the integrated application of solid-state NMR, X-ray crystallography, and first-principles computational chemistry-holds significant promise for mechanistic enzymology: by providing atomic-resolution characterization of stable intermediates in enzyme active sites, including hydrogen atom locations and tautomeric equilibria, NMR crystallography offers insight into both structure and chemical dynamics. Here, this integrated approach is used to characterize the tryptophan synthase α-aminoacrylate intermediate, a defining species for pyridoxal-5'-phosphate-dependent enzymes that catalyze β-elimination and replacement reactions. For this intermediate, NMR-assisted crystallography is able to identify the protonation states of the ionizable sites on the cofactor, substrate, and catalytic side chains as well as the location and orientation of crystallographic waters within the active site. Most notable is the water molecule immediately adjacent to the substrate β-carbon, which serves as a hydrogen bond donor to the ε-amino group of the acid-base catalytic residue βLys87. From this analysis, a detailed three-dimensional picture of structure and reactivity emerges, highlighting the fate of the L-serine hydroxyl leaving group and the reaction pathway back to the preceding transition state. Reaction of the α-aminoacrylate intermediate with benzimidazole, an isostere of the natural substrate indole, shows benzimidazole bound in the active site and poised for, but unable to initiate, the subsequent bond formation step. When modeled into the benzimidazole position, indole is positioned with C3 in contact with the α-aminoacrylate C $\bar{β}$ and aligned for nucleophilic attack. Here, the chemically detailed, three-dimensional structure from NMR-assisted crystallography is key to understanding why benzimidazole does not react, while indole does.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

A Novel Equivalent Model of Active Distribution Networks Based on LSTM

Dynamic behaviors of distribution networks are of great importance for the power system analysis. Nowadays, due to the integration of the renewable energy generation, energy storage, plug-in electric vehicles, and distribution networks turn from passive systems to active ones. Hence, the dynamic behaviors of active distribution networks (ADNs) are much more complex than the traditional ones. The research interests how to establish an accurate model of ADNs in modern power systems are drawing a great deal of attention. In this paper, motivated by the similarities between power system differential algebraic equations and the forward calculation flows of recurrent neural networks (RNNs), a long short-term memory (LSTM) RNN-based equivalent model is proposed to accurately represent the ADNs. First, the adoption reasons of the proposed LSTM RNN-based equivalent model are explained, and its advantages are analyzed from the mathematical point of view. Then, the accuracy and generalization performance of the proposed model is evaluated using the IEEE 39-Bus New England system integrated with ADNs in the study cases. Here, it reveals that the proposed LSTM RNN-based equivalent model has a generalization capability to capture the dynamic behaviors of ADNs with high accuracy.

42 ENGINEERING↗

NASA NTRS1981

A computer controlled television detector for light, X-rays and particles

A versatile, high resolution, software configurable, two-dimensional intensified vidicon quantum detector system has been developed for multiple research applications. A thin phosphor convertor allows the detection of X-rays below 20 keV and non-relativistic particles in addition to visible light, and a thicker scintillator can be used to detect X-rays up to 100 keV and relativistic particles. Faceplates may be changed to allow any active area from 1 to 40 mm square, and active areas up to 200 mm square are possible. The image is integrated in a digital memory on any software specified array size up to 4000 x 4000. The array size is selected to match the spatial resolution, which ranges from 10 to 100 microns depending on the operating mode, the active area, and the photon or particle energy. All scan and data acquisition parameters are under software control to allow optimal data collection for each application.

Kalata, K.↗

DOE OSTI2019

Development and Characterization of Cementitious Waste Forms for Immobilization of Granular Activated Carbon, Silver Mordenite, and HEPA Filter Media Solid Secondary Waste

Solid secondary waste materials expected to be generated during Hanford Waste Treatment and Immobilization Plant (WTP) operations were characterized (using representative materials) with respect to their ability to retain technetium-99 (Tc), iodine-129 (I), and mercury (Hg) as input to future updates to the Integrated Disposal Facility (IDF) performance assessments (PAs). The waste materials included granular activated carbon (GAC), silver mordenite (AgM), and high-efficiency particulate air (HEPA) filter media; all are used for removal of contaminants and radionuclides from the gaseous effluent treatment systems within the WTP. It is expected that the GAC and AgM will be mixed into a cementitious waste form in which the GAC and AgM particles will be blended/stabilized into the cementitious material. It is also expected that the HEPA filter media will be compacted and placed in a container that is then backfilled with a grout to macroencapsulate the medium. Here we report Kds for all waste materials of interest, examine the physical properties of grout specimens containing the waste materials, and provide solid-state characterization information to further understand the interaction of the waste materials with the encapsulating grout. The Kds are used in PA calculations that estimate contaminant release from the disposal site. Monolithic test specimens were prepared with the GAC and AgM mixed in either a Cast Stone grout formulation (8 weight percent [wt%] ordinary Portland cement [OPC], 45 wt% fly ash [FA], 47 wt% blast furnace slag [BFS]) or a Hanford grout mix 5 (HGM-5) formulation (25 wt% OPC, 75 wt% FA). As the specimens were being prepared, the fluid grout mixes were characterized for processing properties including flowability, set time, and the presence of free liquids during curing. After curing, compressive strengths of the waste forms were measured; the compressive strengths were above 2000 psi, easily exceeding the 500 psi minimum requirement. The cured waste forms were also characterized for their density, porosity, hydraulic conductivity, and water characteristic curve—all properties needed in PA calculations of radionuclide release from the waste forms in the IDF. Finally, EPA Method 1315 leach tests were conducted on the GAC and AgM waste materials encapsulated in the Cast Stone and HGM-5 grouts to determine the rate of release of contaminants from the waste forms. Effective diffusivities are provided, which can be used in future PA analyses of the disposal of these solid secondary waste materials.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2004

Integrating Indigenous Traditional, Local and Scientific Knowledge for Improved Management, Policy and Decision-Making in Reindeer Husbandry in the Russian Arctic

As scientists and policy-makers from both indigenous and non-indigenous communities begin to build closer partnerships to address common sustainability issues such as the health impacts of climate change and anthropogenic activities, it becomes increasingly important to create shared information management systems which integrate all relevant factors for optimal information sharing and decision-making. This paper describes a new GIs-based system being designed to bring local and indigenous traditional knowledge together with scientific data and information, remote sensing, and information technologies to address health-related environment, weather, climate, pollution and land use change issues for improved decision/policy-making for reindeer husbandry. The system is building an easily-accessible archive of relevant current and historical, traditional, local and remotely-sensed and other data and observations for shared analysis, measuring, and monitoring parameters of interest. Protection of indigenous culturally sensitive information will be respected through appropriate data protocols. A mechanism which enables easy information sharing among all participants, which is real time and geo-referenced and which allows interconnectivity with remote sites is also being designed into the system for maximum communication among partners. A preliminary version of our system will be described for a Russian reindeer test site, which will include a combination of indigenous knowledge about local conditions and issues, remote sensing and ground-based data on such parameters as the vegetation state and distribution, snow cover, temperature, ice condition, and infrastructure.

Maynard, Nancy G.↗

DOE OSTI2020

Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch

Post-translational control of PERIOD stability by Casein Kinase 1δ and ε (CK1) plays a key regulatory role in metazoan circadian rhythms. Despite the deep evolutionary conservation of CK1 in eukaryotes, little is known about its regulation and the factors that influence substrate selectivity on functionally antagonistic sites in PERIOD that directly control circadian period. Here we describe a molecular switch involving a highly conserved anion binding site in CK1. This switch controls conformation of the kinase activation loop and determines which sites on mammalian PER2 are preferentially phosphorylated, thereby directly regulating PER2 stability. Integrated experimental and computational studies shed light on the allosteric linkage between two anion binding sites that dynamically regulate kinase activity. We show that period-altering kinase mutations from humans to Drosophila differentially modulate this activation loop switch to elicit predictable changes in PER2 stability, providing a foundation to understand and further manipulate CK1 regulation of circadian rhythms.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2011

High-Temperature Smart Structures for Engine Noise Reduction and Performance Enhancement

One of key NASA goals is to develop and integrate noise reduction technology to enable unrestricted air transportation service to all communities. One of the technical priorities of this activity has been to account for and reduce noise via propulsion/airframe interactions, identifying advanced concepts to be integrated with the airframe to mitigate these noise-producing mechanisms. An adaptive geometry chevron using embedded smart structures technology offers the possibility of maximizing engine performance while retaining and possibly enhancing the favorable noise characteristics of current designs. New high-temperature shape memory alloy (HTSMA) materials technology enables the devices to operate in both low-temperature (fan) and high-temperature (core) exhaust flows. Chevron-equipped engines have demonstrated reduced noise in testing and operational use. It is desirable to have the noise benefits of chevrons in takeoff/landing conditions, but have them deployed into a minimum drag position for cruise flight. The central feature of the innovation was building on rapidly maturing HTSMA technology to implement a next-generation aircraft noise mitigation system centered on adaptive chevron flow control surfaces. In general, SMA-actuated devices have the potential to enhance the demonstrated noise reduction effectiveness of chevron systems while eliminating the associated performance penalty. The use of structurally integrated smart devices will minimize the mechanical and subsystem complexity of this implementation. The central innovations of the effort entail the modification of prior chevron designs to include a small cut that relaxes structural stiffness without compromising the desired flow characteristics over the surface; the reorientation of SMA actuation devices to apply forces to deflect the chevron tip, exploiting this relaxed stiffness; and the use of high-temperature SMA (HTSMA) materials to enable operation in the demanding core chevron environment. The overall conclusion of these design studies was that the cut chevron concept is a critical enabling step in bringing the variable geometry core chevron within reach. The presence of the cut may be aerodynamically undesirable in some respects, but it is present only when the chevron is not immersed in the core jet exhaust. When deployed, the gap closes as the chevron tip enters the high-speed, high-temperature core stream. Aeroacoustic testing and flow visualization support the contention that this cut is inconsequential to chevron performance.

Quackenbush, Todd R.↗

DOE OSTI2024

Guidance for Integrating Energy Justice and Equity in Building Technology Deployment Programs: Tracking, Reporting, and Maximizing the Flow of Benefits from Building System Technology Deployment Activities to Disadvantaged Communities and Target Sectors

The Federal Justice40 Initiative directs at least 40% of the overall benefits of certain clean energy investments to flow to disadvantaged communities and requires that all federal programs covered by Justice40 consult stakeholders to determine the program benefits, and that the flow of benefits to disadvantaged communities is tracked and reported. Unequal distribution of benefits, in terms of access to clean energy research, design, development, and deployment, can disproportionately benefit or burden certain communities. This can result in higher rates of pollution, negative health effects, and increased energy burdens and insecurities in disadvantaged communities. Programs focused on decarbonizing the built environment can enhance health, quality of life, and economic opportunities for impacted communities. This guidance document, developed by Pacific Northwest National Laboratory and funded by the U.S. Department of Energy’s Building Technologies Office, provides best practices and approaches for incorporating energy justice and equity principles into building technology deployment activities. It provides best practices and recommendations for communicating with and involving disadvantaged communities and target building sectors in program activities, along with methods to monitor and report the distribution of benefits to these sectors. This document lays out a set of strategies, metrics, and best practices that can be implemented over time to apply energy justice and equity approaches, whether the program is just starting out or ongoing. Although this guidance was designed for Building Technologies Office technology deployment programs, the best practices, recommendations, and methods can be valuable to any program concerned with the equitable deployment of clean energy technologies. The goal of this project is to enable the equitable development, deployment, and adoption of clean energy technologies and practices.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2023

Plugin for Integrated Exoskeleton Simulations (PIES)

Upper extremity offload is a new capability to be developed for the Active Response Gravity Offload System (ARGOS) at the Johnson Space Center. To address the need, the Actuated Real-time Control for ARGOS Negation of Gravitational Effects on the Limbs (ARC-ANGEL) system is being designed and developed by the HumanWorks team in the Flight Systems Branch (ER3). The Plugin for Integrated Exoskeleton Simulations (PIES) is a multibody modeling and analysis capability developed by the Digital Astronaut Simulation (DAS) team in the Simulation and Graphics Branch (ER7). The C++ plugin is used in the open source biomechanics software, OpenSim (Stanford University), and integrates human multibody modeling with system dynamic modeling. The latest ‘flavor’ is the ANGEL with Passive and Powered Line of force Evaluation (APPLE) PIES.

Kaitlin Lostroscio↗

NASA NTRSDate not supplied

Earth System Digital Twins (ESDT) Technology for NASA Earth Science

For NASA's Advanced Information Systems Technology (AIST) Program, an Earth System Digital Twin (ESDT) is defined as an interactive and integrated multidomain, multiscale, digital replica of the state and temporal evolution of Earth systems. It dynamically integrates: relevant Earth system models and simulations; other relevant models (e.g., related to the world's infrastructure); continuous and timely (including near real time and direct readout) observations (e.g., space, air, ground, over/underwater, Internet of Things (IoT), socioeconomic); long-time records; as well as analytics and artificial intelligence tools. Effective ESDTs enable users to run hypothetical scenarios to improve the understanding, prediction of and mitigation/response to Earth system processes, natural phenomena and human activities as well as their many interactions. An ESDT is a type of integrated information system that, for example, enables continuous assessment of impact from naturally occurring and/or human activities on physical and natural environments. AIST ESDT strategic goals are to: 1. Develop information system frameworks to provide continuous and accurate representations of systems as they change over time; 2. Mirror various Earth Science systems and utilize the combination of Data Analytics, Artificial Intelligence, Digital Thread, and state-of-the-art models to help predict the Earth’s response to various phenomena; 3. Provide the tools to conduct "what if" investigations that can result in actionable predictions. The AIST ESDT thrust is developing capabilities toward the development of future digital twins of the Earth or of subcomponents of the Earth. This will enable the development of an overarching framework that will integrate New Observing Strategies (NOS) to enable new observation measurements, i.e., multi-source, coordinated, dynamic and responsive to needs and requests defined by Analytic Collaborative Frameworks (ACF) that enable agile science investigations fusing and analyzing very large amounts of diverse data. NOS and ACF capabilities along with open access to various science, infrastructure and human data, interconnected modeling, data assimilation, simulations, surrogate modeling, high-performance computing and advanced visualization, will define a powerful framework that could be utilized for local, regional or global and/or thematic digital twins. This presentation will describe a general overview of the AIST ESDT vision including prior work done in the areas of NOS and ACF as well as current and upcoming ESDT projects.

Jacqueline Le Moigne↗

DOE OSTI2018

Metabolic capability and in situ activity of microorganisms in an oil reservoir

Background: Microorganisms have long been associated with oxic and anoxic degradation of hydrocarbons in oil reservoirs and oil production facilities. While we can readily determine the abundance of microorganisms in the reservoir and study their activity in the laboratory, it has been challenging to resolve what microbes are actively participating in crude oil degradation in situ and to gain insight into what metabolic pathways they deploy. Results: Here, we describe the metabolic potential and in situ activity of microbial communities obtained from the Jiangsu Oil Reservoir (China) by an integrated metagenomics and metatranscriptomics approach. Almost complete genome sequences obtained by differential binning highlight the distinct capability of different community members to degrade hydrocarbons under oxic or anoxic condition. Transcriptomic data delineate active members of the community and give insights that Acinetobacter species completely oxidize alkanes into carbon dioxide with the involvement of oxygen, and Archaeoglobus species mainly ferment alkanes to generate acetate which could be consumed by Methanosaeta species. Furthermore, nutritional requirements based on amino acid and vitamin auxotrophies suggest a complex network of interactions and dependencies among active community members that go beyond classical syntrophic exchanges; this network defines community composition and microbial ecology in oil reservoirs undergoing secondary recovery. Conclusion: Our data expand current knowledge of the metabolic potential and role in hydrocarbon metabolism of individual members of thermophilic microbial communities from an oil reservoir. The study also reveals potential metabolic exchanges based on vitamin and amino acid auxotrophies indicating the presence of complex network of interactions between microbial taxa within the community.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1985

Isolation of Hybridomas for Golgi-associated Proteins and a Plant Calmodulin

The demonstration of a role for calcium in the mechanism of the gravitropic response indicates a role for calmodulin. Localization studies indicate that plant cell walls have a high content of calmodulin which suggests a regulatory role for CaM in both gravitropic curvature and auxin-induced growth. Auxin regulation of cell wall loosening and elongation is the basis for most models of this phenomenon. Auxin treatment of pea stem tissue rapidly increases the ctivity of Golgi-localized B-1,4-glucan synthase (GS), an enzyme involved in biosynthesis of wall xyloglucan which apparently constitutes the substrate for the wall loosening process. In order to determine whether auxin stimulates GS activity either by modulation of existing enzyme or induces de novo formation of Golgi glucan synthase, a study was undertaken to isolate and quantitate glucan synthase. This enzyme appears to be an integral protein of the Golgi membrane and has resisted isolation with retention of activity. The production of monoclonal antibody for glucan synthase was undertaken due to the inability to isolate GS by standard detergent/liposome techniques.

Kuzmanoff, K. M.↗