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

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Traps and transport resistance are the next frontiers for stable non-fullerene acceptor solar cells

Stability is one of the most important challenges facing material research for organic solar cells (OSC) on their path to further commercialization. In the high-performance material system PM6:Y6 studied here, we investigate degradation mechanisms of inverted photovoltaic devices. We have identified two distinct degradation pathways: one requires the presence of both illumination and oxygen and features a short-circuit current reduction, the other one is induced thermally and marked by severe losses of open-circuit voltage and fill factor. We focus our investigation on the thermally accelerated degradation. Our findings show that bulk material properties and interfaces remain remarkably stable, however, aging-induced defect state formation in the active layer remains the primary cause of thermal degradation. The increased trap density leads to higher non-radiative recombination, which limits the open-circuit voltage and lowers the charge carrier mobility in the photoactive layer. Furthermore, we find the trap-induced transport resistance to be the major reason for the drop in fill factor. Our results suggest that device lifetimes could be significantly increased by marginally suppressing trap formation, leading to a bright future for OSC.

14 SOLAR ENERGY↗
NASA NTRS1993

LDEF Materials Results for Spacecraft Applications

These proceedings describe the application of LDEF data to spacecraft and payload design, and emphasize where space environmental effects on materials research and development is needed as defined by LDEF data. The LDEF six years of exposure of materials has proven to be by far the most comprehensive source of information ever obtained on the long-term performance of materials in the space environment. The conference provided a forum for materials scientists and engineers to review and critically assess the LDEF results from the standpoint of their relevance, significance, and impact on spacecraft design practice. The impact of the LDEF findings on materials selection and qualification, and the needs and plans for further study, were addressed from several perspectives. Many timely and needed changes and modifications in external spacecraft materials selection have occurred as a result of LDEF investigations.

Whitaker, Ann F.↗
NASA NTRS1995

Ultrasonic Imaging Technology Helps American Manufacturer of Nondestructive Evaluation Equipment Become More Competitive in the Global Market

Sonix, Inc., of Springfield, Virginia, has implemented ultrasonic imaging methods developed at the NASA Lewis Research Center. These methods have heretofore been unavailable on commercial ultrasonic imaging systems and provide significantly more sensitive material characterization than conventional high-resolution ultrasonic c-scanning. The technology transfer is being implemented under a cooperative agreement between NASA and Sonix, and several invention disclosures have been submitted by Dr. Roth to protect Lewis interests. Sonix has developed ultrasonic imaging systems used worldwide for microelectronics, materials research, and commercial nondestructive evaluation (NDE). In 1993, Sonix won the U.S. Department of Commerce "Excellence in Exporting" award. Lewis chose to work with Sonix for two main reasons: (1) Sonix is an innovative leader in ultrasonic imaging systems, and (2) Sonix was willing to apply the improvements we developed with our in-house Sonix equipment. This symbiotic joint effort has produced mutual benefits. Sonix recognized the market potential of our new and highly sensitive methods for ultrasonic assessment of material quality. We, in turn, see the cooperative effort as an effective means for transferring our technology while helping to improve the product of a domestic firm.

Source record↗
DOE OSTI2022

MENUS—Materials engineering by neutron scattering

Materials engineering by neutron scattering (MENUS) at the second target station will be a transformational high-flux, versatile, multiscale materials engineering diffraction beamline with unprecedented new capabilities for the study of complex materials and structures. It will support both fundamental and applied materials research in a broad range of fields. MENUS will combine unprecedented long-wavelength neutron flux and unique detector coverage to enable real-time studies of complex structural and functional materials under external stimuli. The incorporated small angle neutron scattering and transmission/imaging capabilities will extend its sensitivity to larger length scales and higher spatial resolution. Multimodal MENUS will provide crystallographic and microstructure data to the materials science and engineering community to understand lattice strain/phase transition/microstructure/texture evolution in three orthogonal directions in complex material systems under combined extreme applied conditions. Finally, the capabilities of MENUS will open new scientific opportunities and meet the research needs for science challenges to enable studies of a range of phenomena and answer the key questions in material design/exploration, advanced material processing, transformative manufacturing, and material operations of national impacts in our daily life.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Depowering of Batteries to Reduce Cost of Ownership

(1) Executive Summary: End of life batteries (EOLBs) present a cost and safety liability for their owners and stakeholders. This is due flammability, energy, and power with EOLBs. Current approaches include cumbersome, expensive packaging, specialized shipping, regulated storage, and they are responsible for over half of the cost of recycling. They all expensively and inadequately address symptoms. OnTo has developed and proven a simple way to resolve the problem systemically, through depowering of lithium-ion batteries (and most any battery other than lead). The low-cost process removes flammability, power, and energy in EOLBs through non-toxic chemical processing. The opportunity for commerce of inert scrap is at least $5 billion greater than the commerce in hazardous scrap, all made possible through OnTo’s technology for efficiency and safety. (2) Depowering Improves Safety and Decreases Cost of Battery Ownership: OnTo’s depowering technology will remove half of the cost of EOLB management and recycling. Without this technology, EOLB recycling will always be a liability. EOLB is hazardous due to inherent flammability of electrolyte and lithium. The shipping and commerce of EOLBs is costly and dangerous all along the chain of custody from owner, dealership/shop, shipper, second-life sorter, (shipper again), and finally to the destination facility recycler. OnTo’s depowering service renders inert most any EOLB packs, modules, and cells. The technology uses a brief, non-toxic treatment applicable to most any chemistry. The industry needs a safe, simple, modular, and inexpensive method to render EOLBs as inert scrap. OnTo’s deactivation system is scalable to the needs of any customer along the EOLB chain of custody. (3) Evidence of Successful Depowering: Untreated batteries will catch fire and explode under abuse conditions such as heat or crush. Slide 2 below shows that untreated batteries will blow-up and expel their internal components with heating, after OnTo’s depowering treatment, the same battery is inert with the same heat treatment (Fig. 7 in the slide). Depowering also removes electrolyte reactivity, eliminating the production of HF and other toxins (Fig 6. in the slide) The depowering process is applicable to large, 26 Ah cells. Fig. 5 in the slide shows the removal of all the electrolyte from whole cells. Removal of flammable material from an EOLB contributes to the inert behavior. OnTo developed this technology through a project supported by the US Department of Energy EERE program, with partners including Seattle King County Metro Transit. While OnTo has generated evidence of successful depowering of batteries, in 2020, a follow-on voucher opportunity for third party analysis of depowered cells and materials was approved through CalTestBed. The expertise of the battery and materials research groups at Lawrence Berkeley National Laboratory will characterize these depowered cells to provide better understanding of the materials level changes in depowering. (4) Pilot Plant for Depowering EOLBs: Making the spoke work in hub-and-spoke While other companies are marketing the hub-and-spoke approach for recycling EOLBs, they rely on dangerous, expensive shredding methods with flimsy IP protection. OnTo offers the only patented, proven ability to depower EOLBs from most any chemistry – at half of the capital cost required for shredding, while eliminating the liability, danger, and waste streams inherent with shredding. The proposed commercial pilot facility is (5) OnTo Technology LLC Company: OnTo develops advanced battery recycling innovations that produce manufacturing quality electrode materials from recycled batteries. Their patented Cathode-healing™ and Deactivation/Depowering processes improve safety and reduce the cost of recycling. OnTo’s breakthrough technologies produce advanced materials for manufacturing batteries useful in applications from portable power to electric vehicles. Contact: Steve Sloop OnTo Technology LLC, 63221 Service Road, STE F, Bend, OR 97703, ssloop@onto-technology.com , 541-389-7897

deactivation↗
NASA NTRS1967

Status of the NERVA program.

NERVA program, reactor and nonnuclear component development, full-scale testing, engine program, facilities and materials research

NUCLEAR ROCKET↗
NASA NTRS1990

Artificial intelligence in the materials processing laboratory

Materials science and engineering provides a vast arena for applications of artificial intelligence. Advanced materials research is an area in which challenging requirements confront the researcher, from the drawing board through production and into service. Advanced techniques results in the development of new materials for specialized applications. Hand-in-hand with these new materials are also requirements for state-of-the-art inspection methods to determine the integrity or fitness for service of structures fabricated from these materials. Two problems of current interest to the Materials Processing Laboratory at UAH are an expert system to assist in eddy current inspection of graphite epoxy components for aerospace and an expert system to assist in the design of superalloys for high temperature applications. Each project requires a different approach to reach the defined goals. Results to date are described for the eddy current analysis, but only the original concepts and approaches considered are given for the expert system to design superalloys.

Workman, Gary L.↗
NASA NTRS2014

Composite Overview and Composite Aerocover Overview

Materials Science Division within the Engineering Directorate tasked by the Ares Launch Vehicle Division (LX-V) and the Fluids Testing and Technology Development Branch (NE-F6) to design, fabricate and test an aerodynamic composite shield for potential Heavy Lift Launch Vehicle infusion and a composite strut that will serve as a pathfinder in evaluating calorimeter data for the CRYOSTAT (cryogenic on orbit storage and transfer) Project. ATP project is to carry the design and development of the aerodynamic composite cover or "bracket" from cradle to grave including materials research, purchasing, design, fabrication, testing, analysis and presentation of the final product. Effort consisted of support from the Materials Testing & Corrosion Control Branch (NE-L2) for mechanical testing, the Prototype Development Branch (NE-L3) for CAD drawing, design/analysis, and fabrication, Materials & Processes Engineering Branch (NE-L4) for project management and materials selection; the Applied Physics Branch (NE-LS) for NDE/NDI support; and the Chemical Analysis Branch (NE-L6) for developmental systems evaluation. Funded by the Ares Launch Vehicle Division and the Fluids Testing and Technology Development Branch will provide ODC

Caraccio, Anne↗
NASA NTRS2004

Strategic Research Directions In Microgravity Materials Science

The Office of Biological and Physical Research (OBPR) is moving aggressively to align programs, projects, and products with the vision for space exploration. Research in advanced materials is a critical element in meeting exploration goals. Research in low gravity materials science in OBPR is being focused on top priority needs in support of exploration: 1) Space Radiation Shielding; 2) In Situ Resource Utilization; 3) In Situ Fabrication and Repair; 4) Materials Science for Spacecraft and Propulsion Systems; 5) Materials Science for Advanced Life Support Systems. Roles and responsibilities in low gravity materials research for exploration between OBPR and the Office of Exploration Systems are evolving.

Clinton, Raymond G., Jr.↗
DOE OSTI2020

Emerging materials intelligence ecosystems propelled by machine learning

We report that the age of cognitive computing and artificial intelligence (AI) is just dawning. Inspired by its successes and promises, several AI ecosystems are blossoming, many of them within the domain of materials science and engineering. These materials intelligence ecosystems are being shaped by several independent developments. Machine learning (ML) algorithms and extant materials data are utilized to create surrogate models of materials properties and performance predictions. Materials data repositories, which fuel such surrogate model development, are mushrooming. Automated data and knowledge capture from the literature (to populate data repositories) using natural language processing approaches is being explored. The design of materials that meet target property requirements and of synthesis steps to create target materials appear to be within reach, either by closed-loop active-learning strategies or by inverting the prediction pipeline using advanced generative algorithms. AI and ML concepts are also transforming the computational and physical laboratory infrastructural landscapes used to create materials data in the first place. Surrogate models that can outstrip physics-based simulations (on which they are trained) by several orders of magnitude in speed while preserving accuracy are being actively developed. Automation, autonomy and guided high-throughput techniques are imparting enormous efficiencies and eliminating redundancies in materials synthesis and characterization. The integration of the various parts of the burgeoning ML landscape may lead to materials-savvy digital assistants and to a human-machine partnership that could enable dramatic efficiencies, accelerated discoveries and increased productivity. Here, we review these emergent materials intelligence ecosystems and discuss the imminent challenges and opportunities. The materials research landscape is being transformed by the infusion of approaches based on machine learning. This Review discusses the emerging materials intelligence ecosystems and the potential of human-machine partnerships for fast and efficient virtual materials screening, development and discovery.

36 MATERIALS SCIENCE↗
NASA NTRS1987

High temperature thermoelectric energy conversion

The theory and current status of materials research for high-temperature thermoelectric energy conversion are reviewed. Semiconductors are shown to be the preferred class of materials for this application. Optimization of the figure of merit of both broadband and narrow-band semiconductors is discussed as a function of temperature. Phonon scattering mechanisms are discussed, and basic material guidelines are given for reduction of thermal conductivity. Two general classes of materials show promise for high temperature figure of merit (Z) values, namely the rare earth chalcogenides and the boron-rich borides. The electronic transport properties of the rare earth chalcogenides are explicable on the basis of degenerate or partially degenerate n-type semiconductors. Boron and boron-rich borides exhibit p-type hopping conductivity, with detailed explanations proposed for the transport differing from compound to compound. Some discussion is presented on the reasons for the low thermal conductivities in these materials. Also, ZTs greater than one appear to have been realized at high temperature in many of these compounds.

Wood, Charles↗
NASA NTRS2008

Informatics and High Throughput Screening of Thermophysical Properties

The combination of computer-aided experiments with computational modeling enables a new class of powerful tools for materials research. A non-contact method for measuring density, thermal expansion, and creep of undercooled and high-temperature materials has been developed, using electrostatic levitation and optical diagnostics, including digital video. These experiments were designed to take advantage of the large volume of data (many gigabytes/experiment, terabytes/campaign) to gain additional information about the samples. For example, using sub-pixel interpolation to measure about 1000 vectors per image of the sample's surface allows the density of an axisymmetric sample to be determined to an accuracy of about 200 ppm (0.02%). A similar analysis applied to the surface shape of a rapidly rotating sample is combined with finite element modeling to determine the stress-dependence of creep in the sample in a single test. Details of the methods for both the computer-aided experiments and computational models will be discussed.

Hyers, Robert W.↗
DOE OSTI2026

A decade of progress in understanding and managing legacy well integrity for geologic carbon storage

This study reviews a decade of research progress in legacy well integrity and risk management for geologic carbon storage (GCS) to commemorate the 20 th anniversary of the Intergovernmental Panel on Climate Change’s 2005 Special Report on Carbon Capture and Storage. In the past ten years, legacy well research has benefited from global efforts to constrain emissions from abandoned oil and gas wells, a continued focus on well materials performance in the presence of CO 2 -rich fluids, and practical experience gained through GCS implementation. Field measurements of abandoned well emissions show that leakage is not universal or catastrophic but forms a continuum of low-to-moderate fluxes that depend on isolation integrity and environmental attenuation. Materials research has constrained the conditions under which Portland cements exhibit self-sealing and non-sealing behaviors, and has identified the impact of geomechanical properties, non-uniform pathway apertures, multi-phase flow, and impurities in the CO 2 stream, on leakage pathways as important new areas for investigation. GCS projects at brownfield sites have inspired the creation of new workflows that integrate various tools and technologies to manage legacy well leakage risks. GCS implementation has also motivated a push towards scenario-based well modeling that directly informs permit applications. These advances inspire new research questions for the coming decade, particularly around the level of legacy well leakage risk that is environmentally acceptable and tolerable to stakeholders when sequestering millions of tonnes of CO 2 annually.

Carbon capture and storage↗
DOE OSTI2021

Angle-resolved photoemission studies of quantum materials

The physics of quantum materials is dictated by many-body interactions and mathematical concepts such as symmetry and topology that have transformed our understanding of matter. Angle-resolved photoemission spectroscopy (ARPES), which directly probes the electronic structure in momentum space, has played a central role in the discovery, characterization, and understanding of quantum materials ranging from strongly correlated states of matter to those exhibiting nontrivial topology. Over the past two decades, ARPES as a technique has matured dramatically with ever-improving resolution and continued expansion into the space, time, and spin domains. Simultaneously, the capability to synthesize new materials and apply nonthermal tuning parameters in situ has unlocked new dimensions in the study of all quantum materials. These developments are reviewed, and the scientific contributions they have enabled in contemporary quantum materials research are surveyed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Regularized machine learning on molecular graph model explains systematic error in DFT enthalpies

Abstract A major goal of materials research is the discovery of novel and efficient heterogeneous catalysts for various chemical processes. In such studies, the candidate catalyst material is modeled using tens to thousands of chemical species and elementary reactions. Density Functional Theory (DFT) is widely used to calculate the thermochemistry of these species which might be surface species or gas-phase molecules. The use of an approximate exchange correlation functional in the DFT framework introduces an important source of error in such models. This is especially true in the calculation of gas phase molecules whose thermochemistry is calculated using the same planewave basis set as the rest of the surface mechanism. Unfortunately, the nature and magnitude of these errors is unknown for most practical molecules. Here, we investigate the error in the enthalpy of formation for 1676 gaseous species using two different DFT levels of theory and the ‘ground truth values’ obtained from the NIST database. We featurize molecules using graph theory. We use a regularized algorithm to discover a sparse model of the error and identify important molecular fragments that drive this error. The model is robust to rigorous statistical tests and is used to correct DFT thermochemistry, achieving more than an order of magnitude improvement.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Potential structural material problems in a hydrogen energy system

Potential structural material problems that may be encountered in the three components of a hydrogen energy system - production, transmission/storage, and utilization - have been identified. Hydrogen embrittlement, corrosion, oxidation, and erosion may occur during the production of hydrogen. Hydrogen embrittlement is of major concern during both transmission and utilization of hydrogen. Specific materials research and development programs necessary to support a hydrogen energy system are described. An awareness of probable shortages of strategic materials has been maintained in these suggested programs.

Gray, H. R.↗
NASA NTRS2002

Laboratory Studies of the Photochemistry of Peroxynitric Acid

Observations of odd hydrogen radicals at high SZA in the lower stratosphere have demonstrated that our understanding of the HO(x) chemistry is incomplete [Wennberg et al., 1994a; Salawitch et al., 1994; Wennberg et al., 1999]. In particular, the concentrations of the HO(x) radicals are significantly larger than expected under weak photolytic conditions. Donaldson et al. [1997] have speculated that excitation of overtones of the OH stretching frequency in molecules such as HNO3 and HO2NO2 may be significant sources of HO(x) under these conditions. Although weak, vibrationally mediated photolysis may be important because it occurs in the near IR and visible and can provide energy in excess of the dissociation energy (D(o)): HONO2 + hv yields OH + NO (D(o) approx. 600 nm) and HOONO2 + hv yields OH + NO3 (D(o) approx. 735 nm) HOONO2 + hv yields HO2 + NO2 (D(o) approx. 1250 nm). In this project we developed instrumentation to characterize the photodissociation yields of hydroxyl containing compounds in the visible and near IR. This effort has involved coupling a tunable photolysis optical parametric oscillator (OPO) laser system with precise determination of the hydroxyl radical. The OPO system [Wu et al., 1997] was developed with support from the NSF Major Research Instrumentation Fund in a proposal entitled "Development of Novel, Compact Light Sources for Advanced Spectroscopy in Atmospheric Science and Materials Research" (Geoffrey A. Blake, P.I. California Institute of Technology).

Wennberg, Paul O.↗