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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Measurement of the properties of lossy materials inside a finite conducting cylinder

Broadband, swept frequency measurement techniques were investigated for the evaluation of the electrical performance of thin, high temperature material coatings. Reflections and transmission measurements using an HP8510B Network Analyzer were developed for an existing high temperature test rig at NASA Lewis Research Center. Reflection measurements will be the initial approach used due to fixture simplicity even though surface wave transmission measurements would be more sensitive. The minimum goal is to monitor the electrical change of the material's performance as a function of temperature. If possible, the materials constitutive parameters, epsilon and muon will be found.

Dominek, A.↗
DOE OSTI2020

Iron-Doped Sodium Vanadium Oxyflurophosphate Cathodes for Sodium-Ion Batteries—Electrochemical Characterization and In Situ Measurements of Heat Generation

Sodium-ion batteries (NaIBs) are increasingly being envisioned for grid-scale energy-storage systems because of cost advantages. However, implementation of this vision has been challenged by the low-energy densities delivered by most NaIB cathodes. Toward addressing this challenge, the authors report the synthesis and characterization of a new iron-doped Na 3 Fe 0.3 V 1.7 O(PO 4 ) 2 F 2 cathode using a novel facile hydrothermal route. The synthesized material was characterized using scanning electron microscopy, X-ray diffraction, and Mössbauer spectroscopy techniques. The obtained discharge capacity in the half-cell configuration lies from 119 to 125 to 130 mA h/g at C/10 while tested using three different electrolyte formulations, dimethyl carbonate–ethylene carbonate (EC)–propylene carbonate (PC), diethyl carbonate–EC, and EC–PC, respectively. The synthesized cathodes were also evaluated in full-cell configurations, which delivered an initial discharge capacity of 80 mA h/g with NaTi 2 (PO 4 ) 3 MWCNT as the anode. Ionic diffusivity and interfacial charge transfer kinetics were also evaluated as a function of temperature and sodium concentration, which revealed that electrochemical rate performances in this material were limited by charge-transfer kinetics. To understand the heat generation mechanism of the Na/Na 3 Fe 0.3 V 1.7 O(PO 4 ) 2 F 2 half-cell during charge and discharge processes, an electrochemical isothermal calorimetry measurement was carried out at different current rates for two different temperatures (25 and 45 °C). The results showed that the amount of heat generated was strongly affected by the operating charge/discharge state, C-rate, and temperature. Altogether, this work provides a new synthesis route for the development of iron-doped Na 3 Fe 0.3 V 1.7 O(PO 4 ) 2 F 2 -based high-performance sodium cathode materials aimed at providing a viable pathway for the development and deployment of large-scale energy-storage based on sodium battery systems.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Capturing, Analyzing, Maintaining, and Disseminating Shape Memory Material Data Between Information Management Systems

With an increased demand on reducing the time, cost, and effort to develop new materials, Integrated Computational Materials Engineering (ICME) has received widespread attention in various engineering disciplines as a catalyst for significantly reducing experimental testing during the material design process. An ICME approach to design can enable ‘fit-for-purpose’ materials to be realized in engineering applications by incorporating well-understood process-property-performance relationships between the various length and time scales in a material’s structure, enabling material optimization. However, such an approach requires validated multiscale models at the various length scales for a material, which in turn requires a large amount of data, a robust means of storing the data, and the ability to link data to developed material models. The NASA Vision 2040 [1] has identified nine key elements to enabling ICME approaches in system level design, with one being “Data, Information, and Visualization”, thus outlining the importance of a robust information management system for ICME. As the relationship between microstructure, properties, and material performance become better understood and incorporated into multiscale models that can be leveraged in application design, the emergence of new materials with application-driven properties can be realized. One such new material class that has seen growing attention are shape memory materials (SMM), in which a material can transition between a deformed and undeformed state via a reversible phase transformation when subject to a thermal, mechanical, or magnetic load [2]. SMMs have been used widely in aerospace and biomedical industries, including applications such as actuators, low-shock mechanisms, medical staples, braces, and stents [3, 4]. These materials exhibit unique behavior due to their ability to transition between phases, and thus the mechanisms that enable this transition must be captured in a data information management system and incorporated into SMM material models. At NASA Glenn Research Center, the Shape Memory Materials Database (SMMD) Tool has been developed to capture the necessary information that governs SMM material behavior and provide users the ability to select and visualize various SMMs for a specific application [5]. The database contains point-wise data for published SMM materials, along with the pedigree metadata for traceability necessary for a robust information management system. The database is also capable of storing in-house test data performed at NASA GRC by interacting with the developed Shape Memory Alloy (SMA) Analytics tool to extract the necessary point-wise values and populate the database. Although the SMMD Tool offers its users a single, authoritative source for SMM material data that is critical for model development and material design, the full material pedigree of the in-house test data for SMMs is not currently captured and is out of the scope for the SMMD tool. In this work, the schema for capturing SMM test data within the larger NASA GRC ICME Schema [6, 7, 8, 9] will be developed and implemented for thermomechanical tests conducted at NASA GRC. The developed schema will not only store the relevant data needed for the SMMD tool, but also the material pedigree (i.e., production of the bulk material, bulk material analysis, sample cut-out diagrams, sample fabrication procedure, etc.), test pedigree (i.e., test equipment used, measurement systems used, raw test data), and analysis pedigree (i.e., how the data in the SMMD tool is calculated). Furthermore, a Python-based framework will be developed to seamlessly interact between the SMA Analytics and SMMD tools, which will write the full dataset and associated metadata to the GRC Information Management System before passing the required point-wise data to the SMMD tool. Data informatics is a key element of the NASA Vision 2040, which requires not only that data is stored and maintained throughout the material lifecycle, but that the data is also accessible and reusable such that material development efforts can be minimized. Therefore, for an ICME design approach to be realized, a centralized information management system that drives the ICME process must be able to communicate with other databases. The work that will be presented in this presentation will therefore not only demonstrate the ability of NASA GRC’s information management system to capture SMM data, but also its ability to interact with pre-existing tools specialized for such materials.

Data management↗
NASA NTRS2008

Spacecraft Materials in the Space Flight Environment: International Space Station - May 2002 to May 2007

The performance of ISS spacecraft materials and systems on prolonged exposure to the low-Earth orbit (LEO) space flight is reported in this paper. In-flight data, flight crew observations, and the results of ground-based test and analysis directly supporting programmatic and operational decision-making are presented. The space flight environments definitions (both natural and induced) used for ISS design, material selection, and verification testing are shown, in most cases, to be more severe than the actual flight environment accounting for the outstanding performance of ISS as a long mission duration spacecraft. No significant ISS material or system failures have been attributed to spacecraft-environments interactions. Nonetheless, ISS materials and systems performance data is contributing to our understanding of spacecraft material interactions in the spaceflight environment so as to reduce cost and risk for future spaceflight projects and programs. Orbital inclination (51.6o) and altitude (nominally near 360 km) determine the set of natural environment factors affecting the functional life of materials and systems on ISS. ISS operates in an electrically conducting environment (the F2 region of Earth s ionosphere) with well-defined fluxes of atomic oxygen, other charged and neutral ionospheric plasma species, solar UV, VUV, and x-ray radiation as well as galactic cosmic rays, trapped radiation, and solar cosmic rays (1-4). The LEO micrometeoroid and orbital debris environment is an especially important determinant of spacecraft design and operations (5, 6). The magnitude of several environmental factors varies dramatically with latitude and longitude as ISS orbits the Earth (1-4). The high latitude orbital environment also exposes ISS to higher fluences of trapped energetic electrons, auroral electrons, solar cosmic rays, and galactic cosmic rays (1-4) than would be the case in lower inclination orbits, largely as a result of the overall shape and magnitude of the geomagnetic field (1-4). As a result, ISS exposure to many environmental factors can vary dramatically along a particular orbital ground track, and from one ground track to the next, during any 24-hour period.

Golden, John↗
NASA NTRS1992

Element Material Exposure Experiment by EFFU

The National Space Development Agency of Japan (NASDA) is planning to perform an 'Element Material Exposure Experiment' using the Exposed Facility Flyer Unit (EFFU). This paper presents an initial design of experiments proposed for this project by our company. The EFFU is installed on the Space Flyer Unit (SFU) as a partial model of the Space Station JEM exposed facility. The SFU is scheduled to be launched by H-2 rocket in January or February of 1994, then various tests will be performed for three months, on orbit of 500 km altitude, and it will be retrieved by the U.S. Space Shuttle and returned to the ground. The mission sequence is shown.

Hashimoto, Yoshihiro↗
DOE OSTI2024

Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation

High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale computational resources present a significant bottleneck. Furthermore, examples of large-scale computational discovery carried through experimental validation remain scarce, especially for materials with product applicability. In this paper, we demonstrate how this vision became reality by first combining state-of-the-art artificial intelligence (AI) models and traditional physics-based models on cloud high performance computing (HPC) resources to quickly navigate through more than 32 million candidates and predict around half a million potentially stable materials. Focusing on solid-state electrolytes for battery applications, our discovery pipeline further identified 18 promising candidates with new compositions and rediscovered a decade’s worth of collective knowledge in the field as a byproduct. By employing around one thousand virtual machines in the cloud, this process took less than 80 hours. We then synthesized and experimentally characterized the structures and conductivities of our top candidates, the Na x Li 3-x YCl 6 (0.5 ≤ x ≤ 2.5) series, demonstrating the potential of these compounds to serve as solid electrolytes. Additional candidate materials are currently under experimental investigation that could offer more examples of the computational discovery of new phases of Li- and Na-conducting solid electrolytes. We believe this unprecedented approach of synergistically integrating AI models and cloud HPC not only accelerates materials discovery but also showcases the potency of AI-guided experimentation in unlocking transformative scientific breakthroughs with real-world applications.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Performance of resin transfer molded multiaxial warp knit composites

Composite materials that are subjected to complex loads have traditionally been fabricated with multidirectionally oriented prepreg tape materials. Some of the problems associated with this type of construction include low delamination resistance, poor out-of-plane strength, and labor intensive fabrication processes. Textile reinforced composites with through-the-thickness reinforcement have the potential to solve some of these problems. Recently, a relatively new class of noncrimp fabrics designated as multiaxial warp knits have been developed to minimize some of the high cost and damage tolerance concerns. Multiple stacks of warp knit fabrics can be knitted or stitched together to reduce layup labor cost. The through-the-thickness reinforcement can provide significant improvements in damage tolerance and out-of-plane strength. Multilayer knitted/stitched preforms, in conjunction with resin transfer molding (RTM), offer potential for significant cost savings in fabrication of primary aircraft structures. The objectives of this investigation were to conduct RTM processing studies and to characterize the mechanical behavior of composites reinforced with three multiaxial warp knit fabrics. The three fabrics investigated were produced by Hexcel and Milliken in the United States, and Saerbeck in Germany. Two resin systems, British Petroleum E9O5L and 3M PR 500, were characterized for RTM processing. The performance of Hexcel and Milliken quasi-isotropic knitted fabrics are compared to conventional prepreg tape laminates. The performance of the Saerbeck fabric is compared to uniweave wing skin layups being investigated by Douglas Aircraft Company in the NASA Advanced Composites Technology (ACT) program. Tests conducted include tension, open hole tension, compression, open hole compression, and compression after impact. The effects of fabric defects, such as misaligned fibers and gaps between tows, on material performance are also discussed. Estimated material and labor cost savings are projected for the Saerbeck fabric as compared to uniweave fabric currently being used by Douglas in the NASA ACT wing development program.

Dexter, H. Benson↗
DOE OSTI2023

Saddle-Shaped Third Component with Out-of-Plane Electrostatic Dipole for Realizing High-Performance Photovoltaic Donor Terpolymers

Terpolymer fabrication is an effective methodology for molecular engineering and generating high-performance organic photovoltaic materials to construct highly efficient polymer solar cells. Modification of the polymer PM6 by incorporating a third component resulting in the formation of a ternary copolymer is reported to outperform PM6 in achieving enhanced device performances. However, one of the major challenges in constructing high-performance terpolymers is to counter the molecular disorder caused by the backbone entropy induced by the third moiety. Here, in this work, double B←N bridged bipyridine (BNBP) is used as the third component, which possesses a strong out-of-plane electrostatic dipole owing to the saddle-shaped B←N fused ring structure. The out-of-plane dipole moment introduced in the modified PM6 terpolymer can be used as a means for tuning and optimizing the nanostructures of the blended films. The prepared PM6-BNBP-4 blend polymer with 4% of the benzodithiophene dione monomers replaced by BNBP results in excellent power conversion efficiency of 19.13%. This work demonstrates that the out-of-plane electrostatic dipole moment in saddle-shaped molecules is valuable for achieving high-performance organic photovoltaic donor materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct Prediction of Phonon Density of States With Euclidean Neural Networks

Abstract Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated in crystalline solids due to crystallographic symmetry considerations and data scarcity. Here, the direct prediction of phonon density‐of‐states (DOS) is demonstrated using only atomic species and positions as input. Euclidean neural networks are applied, which by construction are equivariant to 3D rotations, translations, and inversion and thereby capture full crystal symmetry, and achieve high‐quality prediction using a small training set of examples with over 64 atom types. The predictive model reproduces key features of experimental data and even generalizes to materials with unseen elements, and is naturally suited to efficiently predict alloy systems without additional computational cost. The potential of the network is demonstrated by predicting a broad number of high phononic specific heat capacity materials. The work indicates an efficient approach to explore materials' phonon structure, and can further enable rapid screening for high‐performance thermal storage materials and phonon‐mediated superconductors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Quantitative Effects of Disorder on Chemically Modified Amorphous Carbon Electrodes

Real materials are disordered. This disorder influences the properties of these materials and the chemical processes that occur at their interfaces. Gaining a molecular-level understanding of the underlying physical manifestations caused by disordered materials is crucial to unraveling and ultimately controlling the efficiency and performance of these materials in a range of energy-related devices. This understanding necessitates measurement techniques through which disorder can be detected, quantified, and monitored. However, such quantitative measurements are notoriously difficult, as effects often average out in ensemble measurements. In this work, we describe how a combination of electrochemical and spatially resolved surface spectroscopy measurements illuminate a molecular-level picture of disorder in materials. Using amorphous carbon as an intrinsically disordered material, we covalently attached a monolayer of ferrocene. Interfacial electron transfer across the amorphous carbon–ferrocene interface is highly sensitive to disruptions of order. Here, by systematically varying linker properties and surface loadings, the influence of lateral interactions between nonuniformly distributed ferrocene headgroups on ensemble electrochemical measurements is demonstrated. Electrochemical and imaging data collectively indicate that conformational flexibility of the ferrocene moieties provides a mechanism to elude repulsive and unbalanced lateral interactions, while rigid linkages provide direct information about the underlying disorder of the material. This study is the first of its kind to quantify and visualize molecular disorder and heterogeneity with an experimental model accessed through ensemble measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A customized MOF-polymer composite for rapid gold extraction from water matrices

With the fast-growing accumulation of electronic waste and rising demand for rare metals, it is compelling to develop technologies that can promotionally recover targeted metals, like gold, from waste, a process referred to as urban mining. Thus, there is increasing interest in the design of materials to achieve rapid, selective gold capture while maintaining high adsorption capacity, especially in complex aqueous-based matrices. Here, a highly porous metal-organic framework (MOF)–polymer composite, BUT-33–poly(para-phenylenediamine) (PpPD), is assessed for gold extraction from several matrices including river water, seawater, and leaching solutions from CPUs. BUT-33–PpPD exhibits a record-breaking extraction rate, with high Au3+ removal efficiency (>99%) within seconds (less than 45 s), a competitive capacity (1600 mg/g), high selectivity, long-term stability, and recycling ability. Furthermore, the high porosity and redox adsorption mechanism were shown to be underlying reasons for the material’s excellent performance. Given the accumulation of recovered metallic gold nanoparticles inside, the material was also efficiently applied as a catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fissionable Materials Handlers Operators-Initial Training

These courses were designed for all Initial Fissionable Material Handlers Operators and Supervisors whose job activities will require the performance of Fissile Material Operations located within the Plutonium Facility (PF-4). The course requirements are based on DOE order 426.2, Personnel Section, Qualification, and Training Requirements for Fissionable Material Handlers. These courses are required training for all initial Fissionable Material Handlers and is specific to TA-55 FMH Certification. It covers the core areas and topics in Criticality Safety, Material-at-Risk, Nuclear Material Control and Accountability, Radiological Protection, TA-55 Material Handling and Movement.

61 RADIATION PROTECTION AND DOSIMETRY↗
NASA NTRS1983

Source-circuit design with multiple photovoltaic manufacturers

The problems associated with source circuit design for use in photovoltaic (PV) hardware of different manufacturers or processes are discussed. The varying performance of dissimilar materials is examined and the need for standardization of equipment and performance output is investigated.

Spencer, R.↗
NASA NTRS1992

Chemical compatibility of cartridge materials

The objectives were to determine the chemical compatibility of titanium-zirconium-molybdenum (TZM) with GaAs and CdZnTe, and Inconel with HgCdTe and HgZnTe. At the present time, no other studies regarding the compatibility of these crystal components and their respective cartridge materials have been performed. This study was to identify any possible problems between these materials to insure proper containment of possibly hazardous fumes during crystal growth experiments. In this study, the reaction zone between the materials was studied and the amount of degradation to the system was measured. Detailed results are presented.

Ambrose, Bryan↗
NASA NTRS2003

Evaluation of Candidate Materials for a High-Temperature Stirling Convertor Heater Head

The Department of Energy (DOE) and NASA have identified Stirling Radioisotope Generators (SRG) as a candidate power system for use on long-duration, deep-space science missions and Mars rovers. One of the developments planned for an upgraded version of the current SRG design is to achieve higher efficiency by increasing the overall operating temperature of the system. Currently, the SRG operates with a heater head temperature of 650 C and is fabricated from the nickel base superalloy 718. This temperature is at the limit of Alloy 718's capability, and any planned increase in temperature will be contingent on identifying a more capable material from which to fabricate the heater head. To this end, an assessment of material candidates was performed assuming a range of heater head temperatures. The chosen alternative material candidates will be discussed, along with the development efforts needed to ensure that these materials can meet the demanding system requirements of long-duration operation in hostile environments.

Bowman, Randy↗
NASA NTRS2011

Polymerization initated at sidewalls of carbon nanotubes

The present invention is directed to aryl halide (such as aryl bromide) functionalized carbon nanotubes that can be utilized in anionic polymerization processes to form polymer-carbon nanotube materials with improved dispersion ability in polymer matrices. In this process the aryl halide is reacted with an alkyllithium species or is reacted with a metal to replace the aryl-bromine bond with an aryl-lithium or aryl-metal bond, respectively. It has further been discovered that other functionalized carbon nanotubes, after deprotonation with a deprotonation agent, can similarly be utilized in anionic polymerization processes to form polymer-carbon nanotube materials. Additionally or alternatively, a ring opening polymerization process can be performed. The resultant materials can be used by themselves due to their enhanced strength and reinforcement ability when compared to their unbound polymer analogs. Additionally, these materials can also be blended with pre-formed polymers to establish compatibility and enhanced dispersion of nanotubes in otherwise hard to disperse matrices resulting in significantly improved material properties. The resultant polymer-carbon nanotube materials can also be used in drug delivery processes due to their improved dispersion ability and biodegradability, and can also be used for scaffolding to promote cellular growth of tissue.

Tour, James M.↗
NASA NTRS2013

Covalent Crosslinking of Carbon Nanotube Materials for Improved Tensile Strength

Carbon nanotubes have attracted much interest in recent years due to their exceptional mechanical properties. Currently, the tensile properties of bulk carbon nanotube-based materials (yarns, sheets, etc.) fall far short of those of the individual nanotube elements. The premature failure in these materials under tensile load has been attributed to inter-tube sliding, which requires far less force than that needed to fracture individual nanotubes.1,2 In order for nanotube materials to achieve their full potential, methods are needed to restrict this tube-tube shear and increase inter-tube forces.Our group is examining covalent crosslinking between the nanotubes as a means to increase the tensile properties of carbon nanotube materials. We are working with multi-walled carbon nanotube (MWCNT) sheet and yarn materials obtained from commercial sources. Several routes to functionalize the nanotubes have been examined including nitrene, aryl diazonium, and epoxide chemistries. The functional nanotubes were crosslinked through small molecule or polymeric bridges. Additionally, electron beam irradiation induced crosslinking of the non-functional and functional nanotube materials was conducted. For example, a nanotube sheet material containing approximately 3.5 mol amine functional groups exhibited a tensile strength of 75 MPa and a tensile modulus of 1.16 GPa, compared to 49 MPa and 0.57 GPa, respectively, for the as-received material. Electron beam irradiation (2.2x 1017 ecm2) of the same amine-functional sheet material further increased the tensile strength to 120 MPa and the modulus to 2.61 GPa. This represents approximately a 150 increase in tensile strength and a 360 increase in tensile modulus over the as-received material with only a 25 increase in material mass. Once we have optimized the nanotube crosslinking methods, the performance of these materials in polymer matrix composites will be evaluated.

polymer matrix composites↗
NASA NTRS2015

Analysis of Advanced Thermoelectric Materials and Their Functional Limits

The world's demand for energy is increasing dramatically, but the best energy conversion systems operate at approximately 30% efficiency. One way to decrease energy loss is in the recovery of waste heat using thermoelectric (TE) generators. A TE generator is device that generates electricity by exploiting heat flow across a thermal gradient. The efficiency of a TE material for power generation and cooling is determined by the dimensionless Figure of Merit (ZT): ZT = S(exp. 2)sigmaT/κ: where S is the Seebeck coefficient, sigma is the electrical conductivity, T is the absolute temperature, and κ is the thermal conductivity. The parameters are not physically independent, but intrinsically coupled since they are a function of the transport properties of electrons. Traditional research on TE materials has focused on synthesizing bulk semiconductor-type materials that have low thermal conductivity and high electrical conductivity affording ZT values of 1. The optimization of the σ/κ ratio is difficult to achieve using current material formats, as these material constants are complementary. Recent areas of research are focusing on using nanostructural artifacts that introduce specific dislocations and boundary conditions that scatter the phonons. This disrupts the physical link between thermal (phonon) and electrical (electron) transport. The result is that κ is decreased without decreasing σ. These material formats give ZT values of up to 2 which represent approximately 18% energy gain from waste heat recovery. The next challenge in developing the next generation of TE materials with superior performance is to tailor the interconnected thermoelectric physical parameters of the material system. In order to approach this problem, the fundamental physics of each parameter S, sigma, and κ need to be physically understood in their context of electron/phonon interaction for the construction of new high ZT thermoelectric devices. Is it possible to overcome the physical limit imposed by of the effect of phonon lattice oscillation and energetic electrons towards thermal conductivity? Is the Seebeck coefficient, based on the difference in voltage over temperature gradient ( deltaV/deltaT), an intrinsic parameter of each material? All these parameters were manipulated using nano-bridge and twin-lattice structural concepts at the NASA Langley Research Center. This talk will review the current trend of TE research to optimize the ZT and discuss about new approaches on increasing ZT within functional limits of each parameter.

Kim, Hyun Jung↗