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DOE OSTI2025

High-redshift millennium and astrid galaxies in effective field theory at the field level

Effective field theory (EFT) modeling is expected to be a useful tool in the era of future higher-redshift galaxy surveys such as DESI-II and Spec-S5 due to its robust description of various large-scale structure tracers. However, large values of EFT bias parameters of higher-redshift galaxies could jeopardize the convergence of the perturbative expansion. Here, in this paper we measure the bias parameters and other EFT coefficients from samples of two types of star-forming galaxies in the state-of-the-art MilleniumTNG and astrid hydrodynamical simulations. Our measurements are based on the field-level EFT forward model that allows for precision EFT parameter measurements by virtue of cosmic variance cancellation. Specifically, we consider approximately representative samples of Lyman-break galaxies (LBGs) and Lyman-𝛼 emitters (LAEs) that are consistent with the observed (angular) clustering and number density of these galaxies at 𝑧 = 3. Reproducing the linear biases and number densities observed from existing LAE and LBG data, we find quadratic bias parameters that are roughly consistent with those predicted from the halo model coupled with a simple halo occupation distribution model. We also find nonperturbative velocity contributions (fingers of God) of a similar size for LBGs to the familiar case of luminous red galaxies. However, these contributions are quite small for LAEs despite their large satellite fraction values of up to ∼ 30%. Our results indicate that the effective momentum reach 𝑘 max at 𝑧 = 3 for LAEs (LBGs) will be in the range 0.3−0.6⁢ℎ Mpc −1 (0.2−0.8⁢ℎ Mpc −1 ), suggesting that EFT will perform well for high-redshift galaxy clustering. This work provides the first step toward obtaining realistic simulation-based priors on EFT parameters for LAEs and LBGs.

Sullivan, James M. [Massachusetts Inst. of Technol↗
DOE OSTI2024

CORE-CM in The Greater Green River and Wind River Basins: Transforming and Advancing a National Coal Asset (Final Report)

The following document summarizes project results from “CORE-CM in the Greater Green River and Wind River Basins: Transforming and Advancing a National Coal Asset”. This project is part of the U.S. Department of Energy’s (“DOE”) National Energy Technology Laboratory’s (“NETL”) Carbon Ore, Rare Earth Elements, and Critical Minerals (CORE-CM) Initiative. This report concludes that the Greater Green River and Wind River Basins (GGRB-WRB) Area-of-Interest (AOI 9) is the ideal region for continued research and development in progressing the broader CORE-CM goals outlined by the DOE. Based upon the extensive analyses of technical, social, and community criteria, this report illustrates that the GGRB-WRB hosts numerous potential CORE-CM feedstocks (both coal- and non-coal based), diverse opportunities for utilizing existing industrial waste streams, ample infrastructure and industry to support new CORE-CM-focused technologies, and a highly motivated, well educated, and adaptable workforce to further develop the regional and national CORE-CM supply chain. Additionally, some potential solutions for technological gaps suggest that the GGRB-WRB's diverse resources can play a significant role in achieving the national goal of critical materials independence. With full community participation, meaningful involvement of regional Tribal Nations, and building upon the stakeholder engagement demonstrated here, the GGRB-WRB region presents a unique opportunity for advancing the CORE-CM Initiative. This project was designed to bring together coal-based communities and stakeholders from across the GGRB-WRB to advance new industries for CORE-CM resources. The University of Wyoming (UWyo) School of Energy Resources (SER) led a project team of experts from the Colorado Geological Survey (CGS), Colorado School of Mines (CSM), Los Alamos National Lab (LANL), and local community colleges. Input from basinal, regional, and national experts bolstered the coalition in order to advance the mission of DOE’s CORE-CM initiative and develop the domestic CORE-CM supply chain. Phase I of this project was designed to address the goal of developing and catalyzing economic growth, job creation, and technology innovation in the GGRB-WRB of Wyoming and Colorado, by increasing the supply of CORE-CM to manufacturers of non-fuel Carbon Based Products (CBP) and products reliant upon CM. The GGRB-WRB CORE-CM project worked toward providing benefit through several avenues of performance and research. • Develop a coalition team to achieve project objectives • Complete detailed assessments, including State-of-the-Art (SOTA) Data acquisition of potential CORE-CM materials across the AOI, and meaningfully contributes to DOE’s CORE-CM goals nationally. • Strategic planning for regional economic growth, job creation, and associated technology innovation around coal materials, including plans to maximize the development of potential CORE-CM resources and technology by creating regional public-private partnerships. • Define regional economic growth potential around existing strengths, energy infrastructure, business and industry, including planning for the leveraging of highly trained workforces, existing and novel coal technologies, and energy infrastructure in development of CORE-CM supply chains. • Develop a preliminary strategic plan for increasing the supply of CORE-CM materials to manufacturers of non-fuel Carbon Based Products (CBP) and products reliant upon CM, focusing on regional strengths that result in an emerging diversified CORE-CM economy. • Assemble a committed network of stakeholders and communities that learn about, accept, and grow new energy technologies within coal regions. Additionally, the project team significantly contributed to the CORE-CM Initiative’s national goals, through cross-regional scoping, collaborating with CORE-CM projects in other AOIs, and including parallel regional project experts. In addition to active inclusion and meaningful engagement and contribution to DOE-led working groups, the project team focused on engaging with regional communities including Tribal Nations, economic development groups, and regional government organizations. The project’s CORE-CM development and commercialization plan identified diverse CORECM feedstocks, potential routes towards integration with existing industries, methods for supply-chain development that leverage existing infrastructure and businesses considering the regional economy, identified entry barriers for incorporating traditional and new technologies in those supply chains, recognized opportunities for public-private partnerships to develop technology innovation centers, identified diverse workforces, and conducted stakeholder outreach and education to build a community of understanding on CORE-CM potential in the GGRB-WRB region. Detailed task descriptions can be found in each chapter.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2008

Sensor Selection and Data Validation for Reliable Integrated System Health Management

For new access to space systems with challenging mission requirements, effective implementation of integrated system health management (ISHM) must be available early in the program to support the design of systems that are safe, reliable, highly autonomous. Early ISHM availability is also needed to promote design for affordable operations; increased knowledge of functional health provided by ISHM supports construction of more efficient operations infrastructure. Lack of early ISHM inclusion in the system design process could result in retrofitting health management systems to augment and expand operational and safety requirements; thereby increasing program cost and risk due to increased instrumentation and computational complexity. Having the right sensors generating the required data to perform condition assessment, such as fault detection and isolation, with a high degree of confidence is critical to reliable operation of ISHM. Also, the data being generated by the sensors needs to be qualified to ensure that the assessments made by the ISHM is not based on faulty data. NASA Glenn Research Center has been developing technologies for sensor selection and data validation as part of the FDDR (Fault Detection, Diagnosis, and Response) element of the Upper Stage project of the Ares 1 launch vehicle development. This presentation will provide an overview of the GRC approach to sensor selection and data quality validation and will present recent results from applications that are representative of the complexity of propulsion systems for access to space vehicles. A brief overview of the sensor selection and data quality validation approaches is provided below. The NASA GRC developed Systematic Sensor Selection Strategy (S4) is a model-based procedure for systematically and quantitatively selecting an optimal sensor suite to provide overall health assessment of a host system. S4 can be logically partitioned into three major subdivisions: the knowledge base, the down-select iteration, and the final selection analysis. The knowledge base required for productive use of S4 consists of system design information and heritage experience together with a focus on components with health implications. The sensor suite down-selection is an iterative process for identifying a group of sensors that provide good fault detection and isolation for targeted fault scenarios. In the final selection analysis, a statistical evaluation algorithm provides the final robustness test for each down-selected sensor suite. NASA GRC has developed an approach to sensor data qualification that applies empirical relationships, threshold detection techniques, and Bayesian belief theory to a network of sensors related by physics (i.e., analytical redundancy) in order to identify the failure of a given sensor within the network. This data quality validation approach extends the state-of-the-art, from red-lines and reasonableness checks that flag a sensor after it fails, to include analytical redundancy-based methods that can identify a sensor in the process of failing. The focus of this effort is on understanding the proper application of analytical redundancy-based data qualification methods for onboard use in monitoring Upper Stage sensors.

Garg, Sanjay↗
DOE OSTI2025

Chemistry of Materials Underpinning Photoelectrochemical Solar Fuel Production

Since its inception, photoelectrochemistry has sought to power the generation of fuels, particularly hydrogen, using energy from sunlight. Efficient and durable photoelectrodes, however, remain elusive. Here we review the current state of the art, focusing our discussion on advances in photoelectrodes made in the past decade. We open by briefly discussing fundamental photoelectrochemical concepts and implications for photoelectrode function. We next review a broad range of semiconductor photoelectrodes broken down by material class (oxides, nitrides, chalcogenides, and mature photovoltaic semiconductors), identifying intrinsic properties and discussing their influence on performance. We then identify innovative in situ and operando techniques to directly probe the photoelectrode|electrolyte interface, enabling direct assessment of structure–property relationships for catalytic surfaces in active reaction environments. We close by considering more complex photoelectrochemical fuel-forming reactions (carbon dioxide and nitrogen reduction, as well as alternative oxidation reactions), where product selectivity imposes additional criteria on electrochemical driving force and photoelectrode architecture. By contextualizing recent literature within a fundamental framework, we seek to provide direction for continued progress toward achieving efficient and stable fuel-forming photoelectrodes.

08 HYDROGEN↗
NASA NTRS2004

Novel Biomedical Device Utilizing Light-Emitting Nanostructures Developed

Sketches and chemical diagrams of state-of-the-art device and novel proposed device are presented. Current device uses a diode laser that emits into a fluorescent fluid only one wavelength and a photodetector diode that detects only one wavelength. Only one type of bacteria can be detected. The proposed device uses a quantum dot array that emits into a fluorescent fluid multiple wavelengths and an NIR 512 spectrometer that scans 0.8- to 1.7-mm wavelengths. Hundreds of different bacteria and viruses can be detected. A novel biomedical device is being developed at the NASA Glenn Research Center in cooperation with the University of Michigan. This device uses nano-structured quantum dots that emit light in the near-infrared (IR) region. The nanostructured quantum dots are used as a source and excite fluorochrome polymers coupled with antibodies that seek out and attach to specific bacteria and viruses. The fluorochrome polymers/antibodies fluoresce at specific wavelengths in the near-IR spectrum, but these wavelengths are offset from the excitation wavelength and can be detected with a tunable spectrometer. The device will be used to detect the presence of viruses and bacteria in simple fluids and eventually in more complex fluids, such as blood. Current state-of-the-art devices are limited to single bacteria or virus detection and a considerable amount of time and effort is required to prepare samples for analysis. Most importantly, the devices are quite large and cumbersome, which prohibits them from being used on the International Space Station and the space shuttles. This novel device uses nanostructured quantum dots which, through molecular beam epitaxy and highly selective annealing processes, can be developed into an illumination source that could potentially generate hundreds of specific wavelengths. As a result, this device will be able to excite hundreds of antibody/fluorochrome polymer combinations, which in turn could be used to detect hundreds of bacteria and viruses in fluids. A novel sample preparation technique that exploits micromembrane filtration and centrifugation methods has been developed for this device. The technique greatly reduces the time required to prepare the sample and the amount of sample needed to perform an accurate and comprehensive analysis. Last, and probably most important, because of the nano-light-emitting source and the novel sample preparation technique, the overall size of the device could be reduced dramatically. This device will serve as a nanoscale lab-on-a-chip for in situ microorganism detection and will enable tests to be performed on a time scale of minutes rather than days. Thus, it is ideally suited for monitoring the environmental conditions onboard the International Space Station and the space shuttles, thereby enhancing the safety of the astronauts. In addition, the device has important commercial applications, such as detecting the presence of bacteria and viruses in water at food- and beverage-processing centers, water treatment plants, and restaurants. Also, this technology has the potential to be used to detect bacteria and viruses in more complex fluids, such as blood--which in all likelihood would revolutionize blood analysis as it is performed today. This project was made possible through the Director's Discretionary Fund and is ongoing. In addition, this project provides funding to Dr. Rachel Goldman of the University of Michigan for the research and development of nanostructured quantum dots.

Scardelletti, Maximilian C.↗
NASA NTRS2014

Evaluating the Adsorptive Capabilites of Chemsorb 1000 and Chemsorb 1425

The removal of trace contaminants from spacecraft cabin air is necessary for crew health and comfort during long duration space exploration missions. The air revitalization technologies used in these future exploration missions will evolve from current ISS ISS State-of-Art (SOA) and is being designed and tested by the Advanced Exploration Systems (AES) Program's Atmosphere Resource Recovery and Environmental Monitoring (ARREM) project. The ARREM project is working to mature optimum atmosphere revitalization and environmental monitoring system architectures to enable exploration beyond Lower Earth Orbit (LEO). The Air Revitalization Lab at KSC is one of six NASA field centers participating in the ARREM that specializes in adsorbent and catalyst characterization with simulated spacecraft gas streams using combinations of pressure, O2 partial pressure, CO2 partial pressure, and humidity that are representative of a range of anticipated cabin atmospheric conditions and loads. On board ISS, the Trace Contaminant Control Subassembly (TCCS) provides active control of trace contaminants from the cabin atmosphere utilizing physical adsorption, thermal catalytic oxidation, and chemical adsorption processes. High molecular weight contaminants and ammonia (NH3) are removed a granular activated carbon treated with approx. 10% by weight phosphoric acid (H3PO4) (B-S Type 3032 4×6 mesh), which is expendable and is periodically refurbished. The Type 3032 granular activated carbon bed is no longer commercially available and therefore it is important to characterize the efficiency and capacity of commercially available NH3 sorbents. This paper describes the characterization of two Molecular Products LTD activated carbons: Chemsorb 1000 and Chemsorb 1425. Untreated activated carbons (e.g. Chemsorb 1000) remove contaminants by physisorption, which concentrates the contaminant within the pores of the carbon while letting air to pass through the sorbent4. Low molecular weight or polar gases (e.g. HCl, SO2, formaldehyde, and NH3) are not removed by physisorption and typically require chemisorption for removal. Treated activated carbons (e.g. Chemsorb 1425) are impregnated with a a chemical agent (e.g. phosphoric acid) that reacts with those gases, converting them to solids or salts within the carbon and removes them from the air stream. This process occurs via neutralization or catalysis reactions and adsorption capacity is exhaustedwhen the available impregnated chemicals are consumed. Moisture affects removal performance since adsorption sites within the pores are filled with water. The performance of impregnated carbons may be enhanced by moisture content because the mechanisms of contaminant removal are chemical reactions that occur in reagents contained within the pores. The adsorptive capacity data (mol/kg) of Chemsorb 1000 and 1425 for gas mixtures (ethanol, acetone, toluene, acetaldehyde, dichloromethane, and xylene) was measured with 40% relative humidity at 23 deg C air temperature. The adsorptive capacity data (mol/kg) of Chemsorb 1425 was measured using NH3 gas streams.

adsorptive capacities↗
DOE OSTI2022

The Status and Ambitions of the US Heavy Element Program

The aim of this whitepaper is to highlight the current capabilities and priorities of the US Heavy Element community and to provide the framework for a coordinated advancement of nuclear science from these studies. This is an organized effort to reflect on what has been achieved in the field given the recommendations and initiatives of the 2015 NSAC Long Range Plan, and on what can be realized in the next decade given current and possibly expanded investments. Current investments have positioned the US community to be among the world leaders in studies of the nuclear and chemical properties of the heaviest elements. These include studies of reaction mechanisms, moving us ever closer to the “island of stability”, in spectroscopy, allowing us to better understand nuclear structure at these extreme proton numbers, in chemical behavior, looking to determine how these elements should be placed on the Periodic Table, in performing the first measurements where isotopes are directly identified by their mass numbers, and in laying the foundation for a potential US-led new element discovery experiment. At present, the highest priority of the US Heavy Element community is to capitalize on the current investments by supporting the operations of US facilities at optimal values. These facilities include the Argonne Tandem Linac Accelerator System at Argonne National Laboratory and other Department of Energy facilities such as the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory, which has a dedicated superheavy element program, as well as university laboratories, including Texas A&M University. The High Flux Isotope Reactor at Oak Ridge National Laboratory is crucial to providing the radioactive isotopes required for heavy element science targets. This facility should be supported to provide the actinide materials that are essential for US-based science. Production of stable, rare isotopes for beam material, including 48 Ca, 50 Ti, 54 Cr and 58 Fe, at the Stable Isotope Production and Research Center is critical to continued research in heavy element science and should be a priority. The continued development of targets for heavy element science and retaining US-based expertise is critical for the heavy element community. This is an area that is currently under pressure. For example, the target laboratory at Argonne National Laboratory serves a broad community and is currently under threat due to loss of critical personnel. The skills needed to make targets for nuclear science and develop new targetry methods need to be supported long term at Argonne, Oak Ridge and Lawrence Livermore National Laboratories as well as maintaining the programs at Oregon State University and San José State University as vital pipelines for training students. Advances in theory are the foundation to understand how nuclei behave and to predict those behaviors in new circumstances. Progress in these studies will necessitate continued and new investment and access to high-performance computing. The future health of the heavy element field is dependent on the continuous support of talented early-career professionals at all levels. It is critical that opportunities continue to be created for the next generation to become established in heavy element research so that we can ensure the field is attracting and retaining the best minds for continued success. It is also clear that to ensure diversity of ideas, perspectives and techniques, we need to recruit diverse personnel that are trained at the best facilities. The heavy element community is in support of continued investment to programs with initiatives in diversity, equity, and inclusion. Looking to the next decade of research, support needs to maintain and grow US leadership in heavy element science. Specifically, new investments in state-of-the-art instrumentation will be essential to scientific development of the field and in expanding scientific knowledge. Advances in the next generation of electron cyclotron resonance ion sources, multi-reflection time-of-flight devices, laser spectroscopy, trapping methods and next generation alpha and gamma spectroscopy systems should be prioritized.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Robust Molecular Predictive Methods for Novel Polymer Discovery and Applications

Polymeric materials are ubiquitous in modern society and they play an instrumental role in almost all industries, undoubtedly including the energy and environment sectors. Increased demand of energy and awareness to sustainability both necessitates the development of novel polymers with enhanced properties. Unfortunately, their structural and behavioral complexity render such discovery challenging and impeded. To address this problem, scientists are developing various computational modeling techniques and leveraging their power to depict the relationship between structural characteristics of polymers and their properties (such as rheological behaviors), and use such prediction to guide the design and syntheses of novel polymeric materials with enhanced performances. Unfortunately, predicting the relationships between polymer structure and composition with rheological properties via atomistic modeling is still a major challenge because of the extended time and length scales involved. Studying dynamic shear viscosity and linear viscoelasticity using molecular models requires capabilities that have been elusive, including representation of large molecular weight chains with an effective internal scale capable of describing entanglement, shear-rates that are in the s-1 scale with accurate quantitative stresses, and chemically-realistic combinations of both homogeneous and heterogeneous systems. Motivated by these unmet challenges, the overall technical objective of this DOE-STTR Phase II project is to develop robust molecular predictive methods for advanced polymer discovery and applications and especially for designing and demonstrating the “smart” polymer-based waterflooding enhanced oil recovery (EOR) process. In particular, we apply state-of-the-art molecular modeling methods developed by our academic partner, Materials Stimulation Center (MSC) at California Institute of Technology (Caltech), to facilitate and accelerate the experimental discovery processes. During the Phase I of this project, we had focused on development and demonstration of the molecular modeling methods to describe rheological properties of non-Newtonian polymer fluids, and to improve our fundamental understandings of shear-thickening mechanism and kinetics. In Phase II, we further apply the theoretical models to guide our experimental programs to improve our design of smart rheology modifier (SRM) polymers and their optimization for EOR. Specifically, we have three objectives in the Phase II study: (1) to further improve out computational modeling methods, coupling with the advanced machine learning algorithms; (2) to develop cost-effective and efficient SRM-flooding process suitable for EOR applications under typical reservoir conditions; and (3) to further explore the application of our molecular predictive models for innovative material discovery in other industrial applications. The recent development of our multiscale predictive framework allows the successful prediction of rheological properties from the chemical structure for polymers of experimentally relevant molecular weights, and provides an in-silico machine learning engine for screening novel compositions and structures with optimized non-Newtonian response, required for both shear-thinning and shear-thickening applications. Our framework provides: (1) procedures and tools for systematic coarsening from atomistic models and reverse mapping of coarse-grain models to atomistic, (2) unique ab initio methods to characterize the atomistic origin of colloidal and interfacial interactions and phenomena, (3) systematic structure and composition builders based on practical descriptors that drive rheological changes in polymer melts and diluted polymer mixtures, (4) a rheological properties engine capable of predicting viscosity in the zero-shear limit and under realistic dynamic conditions (for shear-rates commensurate with experiments) for large heterogeneous systems, (5) coarse-grain force fields with improved non-bond descriptions based on accurate quantum mechanics, (6) an in-silico screening machine learning engine that feeds from the systematic model builders to cover the descriptors search space, computes the rheological properties from converged trajectories spanning sub-milliseconds and ranks them for each structure/composition using an automated viscosity-vs-shear rate fitness function that can be tuned for shear-thickening, shear-thinning and other rheological responses.

02 PETROLEUM↗
NASA NTRS1995

The NAS Computational Aerosciences Archive

In order to further the state-of-the-art in computational aerosciences (CAS) technology, researchers must be able to gather and understand existing work in the field. One aspect of this information gathering is studying published work available in scientific journals and conference proceedings. However, current scientific publications are very limited in the type and amount of information that they can disseminate. Information is typically restricted to text, a few images, and a bibliography list. Additional information that might be useful to the researcher, such as additional visual results, referenced papers, and datasets, are not available. New forms of electronic publication, such as the World Wide Web (WWW), limit publication size only by available disk space and data transmission bandwidth, both of which are improving rapidly. The Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Ames Research Center is in the process of creating an archive of CAS information on the WWW. This archive will be based on the large amount of information produced by researchers associated with the NAS facility. The archive will contain technical summaries and reports of research performed on NAS supercomputers, visual results (images, animations, visualization system scripts), datasets, and any other supporting meta-information. This information will be available via the WWW through the NAS homepage, located at http://www.nas.nasa.gov/, fully indexed for searching. The main components of the archive are technical summaries and reports, visual results, and datasets. Technical summaries are gathered every year by researchers who have been allotted resources on NAS supercomputers. These summaries, together with supporting visual results and references, are browsable by interested researchers. Referenced papers made available by researchers can be accessed through hypertext links. Technical reports are in-depth accounts of tools and applications research projects performed by NAS staff members and collaborators. Visual results, which may be available in the form of images, animations, and/or visualization scripts, are generated by researchers with respect to a certain research project, depicting dataset features that were determined important by the investigating researcher. For example, script files for visualization systems (e.g. FAST, PLOT3D, AVS) are provided to create visualizations on the user's local workstation to elucidate the key points of the numerical study. Users can then interact with the data starting where the investigator left off. Datasets are intended to give researchers an opportunity to understand previous work, 'mine' solutions for new information (for example, have you ever read a paper thinking "I wonder what the helicity density looks like?"), compare new techniques with older results, collaborate with remote colleagues, and perform validation. Supporting meta-information associated with the research projects is also important to provide additional context for research projects. This may include information such as the software used in the simulation (e.g. grid generators, flow solvers, visualization). In addition to serving the CAS research community, the information archive will also be helpful to students, visualization system developers and researchers, and management. Students (of any age) can use the data to study fluid dynamics, compare results from different flow solvers, learn about meshing techniques, etc., leading to better informed individuals. For these users it is particularly important that visualization be integrated into dataset archives. Visualization researchers can use dataset archives to test algorithms and techniques, leading to better visualization systems, Management can use the data to figure what is really going on behind the viewgraphs. All users will benefit from fast, easy, and convenient access to CFD datasets. The CAS information archive hopes to serve as a useful resource to those interested in computational sciences. At present, only information that may be distributed internationally is made available via the archive. Studies are underway to determine security requirements and solutions to make additional information available. By providing access to the archive via the WWW, the process of information gathering can be more productive and fruitful due to ease of access and ability to manage many different types of information. As the archive grows, additional resources from outside NAS will be added, providing a dynamic source of research results.

Miceli, Kristina D.↗
NASA NTRS1995

Aerodynamic Evaluation of Two Compact Radial-Inflow Turbine Rotors

The aerodynamic evaluation of two highly loaded compact radial turbine rotors was conducted at the NASA Lewis Research Center Small Engine Component Test Facility (SECTF). The experimental results were used for proof-of-concept, for modeling radial inflow turbine rotors, and for providing data for code verification. Two rotors were designed to have a shorter axial length, up to a 10-percent reduced diameter, a lighter weight, and equal or higher efficiencies with those of conventional radial inflow turbine rotors. Three configurations were tested: rotor 1, having a 40-percent shorter axial length, with the design stator (stator 1); rotor 1 with the design stator vanes closed down (stator 2); and rotor 2, slightly shorter axially and having higher loading, with stator 2. The stator had 36 vanes and the rotors each had 14 solid blades. Although presently uncooled, the rotor blades were designed for thicknesses which would allow cooling passages to be added. The overall stage performance measurements and the rotor and stator exit flow field surveys were obtained. Measurements of steady state temperatures, pressures, mass flow rates, flow angles, and output power were made at various operating conditions. Data were obtained at corrected speeds of 80, 90, 100, 110, and 120 percent of design over a range of equivalent inlet-to-exit pressure ratios of 3.5, 4.0, 4.5, and 5.0, the maximum pressure ratio achieved. The test showed that the configuration of rotor 1 with stator 1 running at the design pressure ratio produced a flow rate which was 5.6 percent higher than expected. This result indicated the need to close down the stator flow area to reduce the flow. The flow area reduction was accomplished by restaggering the vanes. Rotor 1 was retested with the closed-down stator vanes and achieved the correct mass flow. Rotor 2 was tested only with the restaggered vanes. The test results of the three turbine configurations were nearly identical. Although the measured efficiencies of the compact designs fell 2 to 3 points below the predicted efficiency of 91 percent, they did meet and exceed by up to 2.5 percentage points the efficiences of state-of-the-art turbines found in the literature.

Simonyi, P. Susan↗
NASA NTRS2001

Next-Generation Ion Propulsion Being Developed

The NASA Glenn Research Center ion-propulsion program addresses the need for high specific-impulse systems and technology across a broad range of mission applications and power levels. One activity is the development of the next-generation ion-propulsion system as a follow-on to the successful Deep Space 1 system. The system is envisioned to incorporate a lightweight ion engine that can operate over 1 to 10 kW, with a 550-kg propellant throughput capacity. The engine concept under development has a 40-cm beam diameter, twice the effective area of the Deep Space 1 engine. It incorporates mechanical features and operating conditions to maximize the design heritage established by the Deep Space 1 engine, while incorporating new technology where warranted to extend the power and throughput capability. Prototype versions of the engine have been fabricated and are under test at NASA, with an engineering model version in manufacturing. Preliminary performance data for the prototype engine have been documented over 1.1- to 7.3-kW input power. At 7.3 kW, the engine efficiency is 0.68, at 3615-sec specific impulse. Critical component temperatures, including those of the discharge cathode assembly and magnets, have been documented and are within established limits, with significant margins relative to the Deep Space 1 engine. The 1- to 10-kW ion thruster approach described here was found to provide the needed power and performance improvement to enable important NASA missions. The Integrated In-Space Transportation Planning (IISTP) studies compared many potential technologies for various NASA, Government, and commercial missions. These studies indicated that a high-power ion propulsion system is the most important technology for development because of its outstanding performance versus perceived development and recurring costs for interplanetary solar electric propulsion missions. One of the best applications of a highpower electric propulsion system was as an integral part of a solar electric propulsion (SEP) stage to send a payload to outer planet targets. The IISTP studies showed that either trip time or launch vehicle class could be significantly reduced when compared with state-of-the-art systems.

Patterson, Michael J.↗
DOE OSTI2024

Two-dimensional heteronuclear single quantum coherence (HSQC) NMR spectra of lignin isolated from Populus trichocarpa residues after CELF pretreatment and CBP fermentation

Here we present a curated dataset of a series of two-dimensional heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) spectra of lignin isolated from a woody energy crop (Populus trichocarpa) residues after co-solvent enhanced lignocellulosic fractionation (CELF) pretreatment and consolidated bioprocessing (CBP) process. The natural poplar variant GW-9947 from the Center for Bioenergy Innovation (CBI) was used. The poplar was knife milled and passed through a 1 mm sieve. The CELF pretreatment was performed in a Parr autoclave reactor with 7.5 wt % solids loading, 0.5 wt% H2SO4 as catalyst at 150°C with 15, 25 and 30 minutes, respectively. Tetrahydrofuran was added in a 1:1 mass ratio with water as the pretreatment solvent. The residues from CELF pretreatment were then subjected to CBP using the bacterium C. thermocellum DSM 1313. CBP fermentations were performed at 60 °C in a shaker at 50 grams/L solids loadings. Lignin was isolated from the pretreated samples after ball-milling in a porcelain jar with ceramic balls via Retsch PM 200 at 580 rpm for 2.5 h followed by enzymatic hydrolysis in acetate buffer (pH 4.8, 50 °C) for 48 h. The lignin samples were characterized using 13C–1H HSQC experiments which were performed in a Bruker Avance III HD 500 MHz NMR spectrometer operating at a frequency of 125.12 MHz for the 13C nucleus. A standard Bruker pulse sequence was used on a Prodigy platform cryoprobe. The dry lignin samples were dissolved in deuterated dimethylsulfoxide for HSQC experiments. The spectra were acquired under the following acquisition conditions: 210 ppm spectral width in F1 (13C) dimension with 256 data points and 11 ppm spectral width in F2 (1H) dimension with 1024 data points, a 90° pulse, a one bond C–H coupling constant of 145 Hz, a 1.0 s pulse delay, and 64 scans. All the data was processed using the TopSpin 3.6 software (Bruker BioSpin). The NMR spectra provides structural characteristics information about lignin remaining in solids after CELF (150 °C with 15, 25 and 30 minutes) process and C. thermocellum CBP.

Lignin structure, HSQC, poplar, CELF, CBP, CBI↗
NASA NTRS2014

Path Toward a Unifid Geometry for Radiation Transport

The Direct Accelerated Geometry for Radiation Analysis and Design (DAGRAD) element of the RadWorks Project under Advanced Exploration Systems (AES) within the Space Technology Mission Directorate (STMD) of NASA will enable new designs and concepts of operation for radiation risk assessment, mitigation and protection. This element is designed to produce a solution that will allow NASA to calculate the transport of space radiation through complex computer-aided design (CAD) models using the state-of-the-art analytic and Monte Carlo radiation transport codes. Due to the inherent hazard of astronaut and spacecraft exposure to ionizing radiation in low-Earth orbit (LEO) or in deep space, risk analyses must be performed for all crew vehicles and habitats. Incorporating these analyses into the design process can minimize the mass needed solely for radiation protection. Transport of the radiation fields as they pass through shielding and body materials can be simulated using Monte Carlo techniques or described by the Boltzmann equation, which is obtained by balancing changes in particle fluxes as they traverse a small volume of material with the gains and losses caused by atomic and nuclear collisions. Deterministic codes that solve the Boltzmann transport equation, such as HZETRN [high charge and energy transport code developed by NASA Langley Research Center (LaRC)], are generally computationally faster than Monte Carlo codes such as FLUKA, GEANT4, MCNP(X) or PHITS; however, they are currently limited to transport in one dimension, which poorly represents the secondary light ion and neutron radiation fields. NASA currently uses HZETRN space radiation transport software, both because it is computationally efficient and because proven methods have been developed for using this software to analyze complex geometries. Although Monte Carlo codes describe the relevant physics in a fully three-dimensional manner, their computational costs have thus far prevented their widespread use for analysis of complex CAD models, leading to the creation and maintenance of toolkit-specific simplistic geometry models. The work presented here builds on the Direct Accelerated Geometry Monte Carlo (DAGMC) toolkit developed for use with the Monte Carlo N-Particle (MCNP) transport code. The workflow for achieving radiation transport on CAD models using MCNP and FLUKA has been demonstrated and the results of analyses on realistic spacecraft/habitats will be presented. Future work is planned that will further automate this process and enable the use of multiple radiation transport codes on identical geometry models imported from CAD. This effort will enhance the modeling tools used by NASA to accurately evaluate the astronaut space radiation risk and accurately determine the protection provided by as-designed exploration mission vehicles and habitats

Lee, Kerry↗
NASA NTRS2007

Strain Measurement Using FBG on COPV in Stress Rupture Test

White Sands Test Facility (WSTF) was requested to perform ambient temperature hydrostatic pressurization testing of a Space Transportation System (STS) 40-in. Kevlar Composite Overwrapped Pressure Vessel (COPV). The 40-in. vessel was of the same design and approximate age as the STS Main Propulsion System (MPS) and Orbiter Maneuvering System (OMS) vessels. The NASA Engineering Safety Center (NESC) assembled a team of experts and conducted an assessment that involved a review of national Kevlar COPY data. During the review, the STS COPVs were found to be beyond their original certification of ten years. The team observed that the likelihood of STS COPV Stress rupture, a catastrophic burst before leak failure mode, was greater than previously believed. Consequently, a detailed assessment of remaining stress rupture life became necessary. Prior to STS-114, a certification deviation was written for two flights of OV-103 (Discovery) and OV-104 (Atlantis) per rationale that was based on an extensive review of the Lawrence Livermore National Laboratories, COPV data, and revisions to the STS COPV stress levels. In order to obtain flight rationale to extend the certification deviation through the end of the Program, the Orbiter Project Office has directed an interagency COPV team to conduct further testing and analysis to investigate conservatism in the stress rupture model and evaluate material age degradation. Additional analysis of stress rupture life requires understanding the fiber stresses including stress that occurs due to thru-wall composite compression in COPV components. Data must be obtained at both zero gauge pressure (pre-stress) and at the component operating pressure so that this phenomenon can be properly evaluated. The zero gauge pressure stresses are predominantly a result of the autofrettage process used during vessel manufacture. Determining these pre-stresses and the constitutive behavior of the overwrap at pressure will provide necessary information to better predict the remaining life of the STS COPVs. The primary test objective is obtaining data to verify the hypothesis of a radially oriented thru-thickness stress-riser in the COPV composite whose magnitude is a function of the applied pressure and the load history. The anticipated load dependent response follows from the constitutive behavior of the composite overwrap so data to quantify its nonlinear and time dependent response will be sought. The objective of the Fiber Braggs Gratings (FBGs) were to advance the state-of-the-art by developing techniques using FBG sensors that are capable of assessing stress-rupture degradation in Kevlar COPVs in a health monitoring mode (1). Moreover, they sought to answer questions of how embedded sensors affect overall integrity of the structure. And lastly, they sought to provide an important link in the overall stress rupture study that will help close the loop on the COPV fabrication process. NDE inspection methods will be used from start to finish and FBG will be an integral link within the overall chain.

Banks, Curtis↗
NASA NTRS2019

Supporting Crew Autonomy in Deep Space Exploration: Preliminary Onboard Capability Requirements and Proposed Research Questions. Technical Report of the Autonomous Crew Operations Technical Interchange Meeting

Communication delays are a critical challenge posed by long duration deep space exploration. Space missions historically have relied on an ever-present Mission Control Center (MCC) to direct operations in near real-time. As unanticipated anomalies that defeat fault detection and resolution systems do arise, the lack of real-time communication will significantly weaken what the MCC support represents: a reliable safety net for the flight crew through its deep and diverse areas of expertise and investigative resources. As a consequence, future space vehicles and habitats need to be equipped with capabilities to support the flight crew to operate with little or no ground support. Considerations must be given to vehicle and mission designs that will fortify the traditionally ground-centered safety net and forge new support systems, when communication delays exist. In August 2018, NASA’s Human Research Program, through its Human Factors and Behavioral Performance Element, convened a Technical Interchange Meeting (TIM) on Autonomous Crew Operations at NASA Ames Research Center. The goal of the meeting was to gather input from NASA centers, industry, academia, and branches of the Department of Defense (DoD) to address how intelligent technologies can be applied to augment onboard capabilities to support crew anomaly response. The TIM featured 24 presentations by 29 speakers and hosted a total of 59 attendees, including 43 from 5 NASA centers (Ames, Johnson, Langley, Marshall, and Jet Propulsion Lab) and 4 from the DoD (3 from Army Research Lab and 1 from Naval Postgraduate School), with remaining attendees from academia (e.g., UC Davis, CMU) and industry (e.g., IBM, Siemens). Discussions were centered around three themes: standards and guidelines, lessons learned in analog environments, and technologies. To help provide a framework for discussion, a concept matrix describing anomaly response processes was created prior to the TIM (Figure 1, page 6). The matrix captures the steps involved (monitoring and detection, diagnosis, solution development and evaluation, solution implementation and verification, resolution documentation) as well as the resources and capabilities required to support these steps (data, knowledge, analysis, synthesis, resource management). A wallpaper size printout of the matrix was utilized at the TIM to solicit attendee inputs along the three themes; the activity garnered 108 submissions of ideas. Overall, what emerged from TIM discussions was a picture of mismatch between crew anomaly response needs and support that can be provided by existing intelligent technologies. The needs are broad, spanning multiple steps and processes/resources, with many of which lacking support from existing technologies, such as knowledge management throughout the steps of problem solving (especially in resolution documentation) and manpower management. The solutions provided by existing intelligent technologies are specific to the steps/processes that they are designed to support and constrained to solving only problems similar to those that have occurred before. What is lacking from technologies is typically made up by humans, specifically their complex critical thinking, creative problem solving, and domain expertise. In the end, the TIM highlighted the pressing need to support responses to onboard anomalies during autonomous crew operations, particularly those that have eluded the system tests, inspection, and other assurance processes. Such anomalies can potentially threaten crew and vehicle safety, as well as significantly impact overall operations with additional workload. These fairly rare events are difficult to anticipate and prepare for, given the state-of-the-art in intelligent technologies. This is true even for anomalies that stem from “unknown knowns”—cases in which there is sufficient external information to characterize the problem but the overall pattern fails to be recognized by the problem solver, or in which the internal knowledge needed to solve a problem is held tacitly and potentially accessible by the problem solver but not articulated. It follows that the ability to tackle anomalies lies not only with the availability of relevant information and knowledge but also their accessibility in times of need. To that end, we propose research questions along the following three broad themes: • How intelligent technologies can help make relevant knowledge and information available? • How intelligent technologies can help make relevant knowledge and information accessible? • How intelligent technologies can help support the crew operating as a team in anomaly response processes?

autonomous crew operations↗
NASA NTRS2000

Power System Options Evaluated for the Radiation and Technology Demonstration Mission

The Radiation and Technology Demonstration (RTD) Mission is under joint study by three NASA Centers: the NASA Johnson Space Center, the NASA Goddard Space Flight Center, and the NASA Glenn Research Center at Lewis Field. This Earth-orbiting mission, which may launch on a space shuttle in the first half of the next decade, has the primary objective of demonstrating high-power electric thruster technologies. Secondary objectives include better characterization of Earth's Van Allen trapped-radiation belts, measurement of the effectiveness of the radiation shielding for human protection, measurement of radiation effects on advanced solar cells, and demonstration of radiation-tolerant microelectronics. During the mission, which may continue up to 1 year, the 2000-kg RTD spacecraft will first spiral outward from the shuttle-deployed, medium-inclination, low Earth orbit. By the phased operation of a 10-kW Hall thruster and a 10-kW Variable Specific Impulse Magneto-Plasma Rocket, the RTD spacecraft will reach a low-inclination Earth orbit with a radius greater than five Earth radii. This will be followed by an inward spiraling orbit phase when the spacecraft deploys 8 to 12 microsatellites to map the Van Allen belts. The mission will conclude in low Earth orbit with the possible retrieval of the spacecraft by the space shuttle. A conceptual RTD spacecraft design showing two photovoltaic (PV) array wings, the Hall thruster with propellant tanks, and stowed microsatellites is presented. Early power system studies assessed five different PV array design options coupled with a 120-Vdc power management and distribution system (PMAD) and secondary lithium battery energy storage. Array options include (1) state-of-the-art 10-percent efficient three-junction amorphous SiGe thin-film cells on thin polymer panels deployed with an inflatable (or articulated) truss, (2) SCARLET array panels, (3) commercial state-of-the-art, planar PV array rigid panels with 25-percent efficient, three-junction GaInP2/GaAs/Ge solar cells, (4) rigid panels with 25-percent efficient, three-junction GaInP2/GaAs/Ge solar cells, in a 2 -concentrator trough configuration, and (5) thin polymer panels with 25-percent efficient, three-junction GaInP2/GaAs/Ge solar cells deployed with an inflatable (or articulated) truss. To assess the relative merits of these PV array design options, the study group developed a dedicated Fortran code to predict power system performance and estimate system mass. This code also modeled Earth orbital environments important for accurately predicting PV array performance. The most important environmental effect, solar cell radiation degradation, was calculated from electron-proton fluence input from the industry standard AE8/AP8 trapped radiation models and the concept of damage equivalence. Power systems were sized to provide 10 kW of thruster power and approximately 1 kW of spacecraft power at end of life. Of the five PV array design options, the option 1 (thin-film cells) power system was the most massive 590 kg, whereas the option 4 (trough concentrator) power system was the lightest 260 kg. Arguably, the lowest cost would come from the option 3 (commercial array panels) power system with an acceptable, albeit greater, system mass of 320 kg. Predicted power system performance during the spiral-out mission phase is shown the preceding graph for the option 5 (flexible-panel) array. From the results, the radiation-induced power loss over time is evident as the spacecraft slowly spirals outward through the trapped proton belt. The importance of the spiral trip time is also evident in the two curves representing 74-day and 182-day spiral-out periods. The longer spiral time introduces a beginning-of-life power oversizing penalty greater than 1 kW. Future studies will analyze power system performance and mass with a 50-Vdc power management and distribution architecture favorable to the VASIMR thruster and longer missions.

Kerslake, Thomas W.↗
DOE OSTI2020

Economic Extraction and Recovery of REEs and Production of Clean Value-Added Products from Low-Rank Coal Fly Ash

The University of North Dakota (UND) Energy & Environmental Research Center (EERC) teamed with Pacific Northwest National Laboratory (PNNL) , the North Dakota Industrial Commission Lignite Research Program, and commercial partners Basin Electric Power Cooperative, Great River Energy, and Southern Company to execute a Cooperative Agreement funded by the U.S. Department of Energy’s (DOE’s) National Energy Technology Laboratory (NETL) focused on identifying unique pathways and pretreatments to extract rare-earth elements (REEs) from low-rank coal (LRC) ash in a more economical and environmentally benign manner than current methods. The EERC drew upon the unique and deep knowledge of the team regarding LRC geochemistry, ash transformation mechanisms during combustion, and fly ash chemistry in the approach to understand the portioning of REEs in LRC ash. A comprehensive characterization effort was undertaken to fully establish the form, associations, and partitioning of the REEs and other elements/minerals of interest in fly ash, as well as the ash chemistry, mineralogy, and morphology. Using this information, the team tested methods of REE extraction to take advantage of the unique and advantageous properties of LRC ash. Multiple complementary approaches were evaluated that combined both novel and proven methods to develop an extractive process for REEs and other high-value metals from LRC ash that provide technological and economic progress on the current state of the art. Methodologies were also evaluated for the potential to synergistically remove toxic metals while extracting other high-value metals from the ash, generating a clean, safe ash material as a value-added product. This would eliminate waste and offer significant additional revenue potential. Based on laboratory-scale testing, an initial high-level technical and economic analysis to estimate operating expenses and product revenues to guide future phases of technology development was implemented. By focusing on minimizing process steps and consumptive use of extraction solutions, a tunable, economically viable process for REE extraction from LRC ash was developed. The tunable process has the ability to be adjusted to adapt to the differing ash chemical and physical properties that are characteristic of LRC ash. This is key to deployment as a commercial process. In demonstrating the process, the EERC was able to illustrate mixed REE concentration greater than the goal of 2 wt%. High-level economic analysis of the process with LRC ash of moderate REE levels demonstrated the potential of the process, but recovery of just the REEs was insufficient to cover operational costs. With the additional extraction of other high-value metals found in LRC ash, the process economics approach would break even, and it is anticipated that with process optimization, the developed process could potentially be economically sound. The same economic analysis performed utilizing LRC ash with high levels of REEs showed the recovery of the REEs alone would make the process economically viable even without further optimization.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2000

Earth Observing System (EOS) Terra Spacecraft 120 Volt Power Subsystem: Requirements, Development and Implementation

Built by the Lockheed-Martin Corporation, the Earth Observing System (EOS) TERRA spacecraft represents the first orbiting application of a 120 Vdc high voltage spacecraft electrical power system implemented by the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC). The EOS TERRA spacecraft's launch provided a major contribution to the NASA Mission to Planet Earth program while incorporating many state of the art electrical power system technologies to achieve its mission goals. The EOS TERRA spacecraft was designed around five state-of-the-art scientific instrument packages designed to monitor key parameters associated with the earth's climate. The development focus of the TERRA electrical power system (EPS) resulted from a need for high power distribution to the EOS TERRA spacecraft subsystems and instruments and minimizing mass and parasitic losses. Also important as a design goal of the EPS was maintaining tight regulation on voltage and achieving low conducted bus noise characteristics. This paper outlines the major requirements for the EPS as well as the resulting hardware implementation approach adopted to meet the demands of the EOS TERRA low earth orbit mission. The selected orbit, based on scientific needs, to achieve the EOS TERRA mission goals is a sun-synchronous circular 98.2degree inclination Low Earth Orbit (LEO) with a near circular average altitude of 705 kilometers. The nominal spacecraft orbit is approximately 99 minutes with an average eclipse period of about 34 minutes. The scientific goal of the selected orbit is to maintain a repeated 10:30 a.m. +/- 15 minute descending equatorial crossing which provides a fairly clear view of the earth's surface and relatively low cloud interference for the instrument observation measurements. The major EOS TERRA EPS design requirements are single fault tolerant, average orbit power delivery of 2, 530 watts with a defined minimum lifetime of five years (EOL). To meet these mission requirements, while minimizing mass and parasitic power losses, the EOS TERRA project relies on 36, 096 high efficiency Gallium Arsenide (GaAs) on Germanium solar cells adhered to a deployable flexible solar array designed to provide over 5,000 watts of power at EOL. To meet the eclipse power demands of the spacecraft, EOS TERRA selected an application of two 54-cell series connected Individual Pressure Vessel (IPV) Nickel-Hydrogen (NiH2) 50 Ampere-Hour batteries. All of the spacecraft observatory electrical power is controlled via the TERRA Power Distribution Unit (PDU) which is designed to provide main bus regulation of 120 Vdc +/- -4% at all load interfaces through the implementation of majority voter control of both the spacecraft's solar array sequential shunt unit (SSU) and the two battery bi-directional charge and discharge regulators. This paper will review the major electrical power system requirement drivers for the EOS TERRA mission as well as some of the challenges encountered during the development, testing, and implementation of the power system. In addition, spacecraft test and early on orbit performance results will also be covered.

Keys, Denney J.↗