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At least 1,405 records · Page 78

Computational Studies of Electrode Materials in Sodium-Ion Batteries

Sodium-ion batteries have gained extensive interest as a promising solution for large-scale electrochemical energy storage, owing to their low cost, materials abundance, good reversibility, and decent energy density. For sodium-ion batteries to achieve comparable performance to current lithium-ion batteries, significant improvements are still required in cathode, anode, and electrolyte materials. Understanding the functioning and degradation mechanisms of the materials is essential. Computational techniques have been widely applied in tandem with experimental investigations to provide crucial fundamental insights into electrode materials and to facilitate the development of materials for sodium-ion batteries. In this research, the authors review computational studies on electrode materials in sodium-ion batteries. The authors summarize the current state-of-the-art computational techniques and their applications in investigating the structure, ordering, diffusion, and phase transformation in cathode and anode materials for sodium-ion batteries. The unique capability and the obtained knowledge of computational studies as well as the perspectives for sodium-ion battery materials are discussed in this review.

25 ENERGY STORAGE↗

Preface for focus issue on uncertainty quantification in materials modeling

This focus issue is motivated by the growing demand for rigorous uncertainty quantification (UQ) in materials modeling, which is driven by the need to use these tools, in conjunction with experiments, to support decision making in materials design, development, and deployment. Traditionally, predictive materials modeling has focused on gaining qualitative insight into the range of mechanisms that control material behavior and how those mechanisms interact to govern material properties and processes. In that context, quantitative evaluation of modeling uncertainty was not a priority. As materials modeling advances, there is increased impetus to employ it in the context of materials design and qualification. This trend is manifested in the establishment of integrated computational materials engineering (ICME) as a growing sub-discipline, as well as by initiatives such as the materials genome in the USA and similar efforts around the globe. Current practice and future needs are described in several recent reports including NASA's Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems. Invariably, these studies point out the need for the field to embrace the challenge of UQ.

36 MATERIALS SCIENCE↗

An investigation of the compressive strength of PRD-49-3/Epoxy composites

The development of unidirectional fiber composite materials is discussed. The mechanical and physical properties of the materials are described. Emphasis is placed in analyzing the compressive behavior of composite materials and developing methods for increasing compressive strength. The test program for evaluating the various procedures for improving compressive strength are reported.

Kulkarni, S. V.↗

Improved Spacecraft Materials for Radiation Protection

Methods by which radiation shielding is optimized need to be developed and materials of improved shielding characteristics identified and validated. The galactic cosmic rays (GCR) are very penetrating and the energy absorbed by the astronaut behind the shield is nearly independent of shield composition and even the shield thickness. However, the mix of particles in the transmitted beam changes rapidly with shield material composition and thickness. This results in part from the breakup of the high-energy heavy ions of the GCR which make contributions to biological effects out of proportion to their deposited energy. So the mixture of particles in the radiation field changes with shielding and the control of risk contributions from dominant particle types is critical to reducing the hazard to the astronaut. The risk of biological injury for a given particle type depends on the type of biological effect and is specific to cell or tissue type. Thus, one is faced with choosing materials which may protect a given tissue against a given effect but leave unchanged or even increase the risk of other effects in the same tissue or increase the risks to other adjacent tissues of a different type in the same individual. The optimization of shield composition will then be tied to a specific tissue and risk to that tissue. Such peculiarities arise from the complicated mixture of particles, the nature of their biological response, and the details of their interaction with material constituents. Aside from the understanding of the biological response to specific components, one also needs an accurate understanding of the radiation emerging from the shield material. This latter subject has been a principal element of this project. In the past ten years our understanding of space radiation interactions with materials has changed radically, with a large impact on shield design. For example, the NCRP estimated that only 2 g/sq cm. of aluminum would be required to meet the annual 500 mSv limit for the exposure of the blood forming organs (this limit is strictly for LEO but can be used as a guideline for the Mars mission analysis). The current estimates require aluminum shield thicknesses above 50 g/sq cm., which is impractical. In such a heavily shielded vehicle, the neutrons produced throughout the vehicle also contribute significantly to the exposure and this demands greater care in describing the angular dependence of secondary particle production processes. As such the continued testing of databases and transport procedures in laboratory and spaceflight experiments has continued. This has been the focus of much of the last year's activity and has resulted in improved neutron prediction capability. These new methods have also improved our understanding of the surface environment of Mars. The Mars 2003 NRA HEDS related surface science requirements were driven by the need to validate predictions on the upward flux of neutrons produced in the Martian regolith and bedrock made by the codes developed under this project. The codes used in the surface environment definition are also being used to look at in situ resources for the development of construction material for Martian surface facilities. For example, synthesis of polyimides and polyethylene as binders of regolith for developing basic structural elements has been studied and targets built for accelerator beam testing of radiation shielding properties. Preliminary mechanical tests have also been promising. Improved spacecraft materials have been identified (using the criteria reported by this project at the last conference) as potentially important for future shielding materials. These are liquid hydrogen, hydrogenated nanofibers, liquid methane, LiH, Polyethylene, Polysulfone, and Polyetherimide (in order of decreasing shield performance). Some of the materials are multifunctional and are required for other onboard systems. We are currently preparing software for trade studies with these materials relative to the Mars Reference Mission as required in the project's final year.

Wilson, John W.↗

Recent advances in nondestructive evaluation made possible by novel uses of video systems

Complex materials are being developed for use in future advanced aerospace systems. High temperature materials have been targeted as a major area of materials development. The development of composites consisting of ceramic matrix and ceramic fibers or whiskers is currently being aggressively pursued internationally. These new advanced materials are difficult and costly to produce; however, their low density and high operating temperature range are needed for the next generation of advanced aerospace systems. These materials represent a challenge to the nondestructive evaluation community. Video imaging techniques not only enhance the nondestructive evaluation, but they are also required for proper evaluation of these advanced materials. Specific research examples are given, highlighting the impact that video systems have had on the nondestructive evaluation of ceramics. An image processing technique for computerized determination of grain and pore size distribution functions from microstructural images is discussed. The uses of video and computer systems for displaying, evaluating, and interpreting ultrasonic image data are presented.

Generazio, Edward R.↗

Machine learning-assisted design of metal–organic frameworks for hydrogen storage: A high-throughput screening and experimental approach

Various theoretical approaches, including big data and high-throughput screening techniques, have been explored in developing new materials due to their significant potential time-saving advantages. However, it remains a significant challenge to experimentally realize new materials that are predicted. In this study, we propose a novel materials design strategy that utilizes machine-learning (ML) techniques to predict new porous materials that show promise for hydrogen storage and are likely to be feasible to synthesize. By leveraging ML techniques and metal–organic framework (MOF) databases, we are able to predict the synthesizability of MOF structures. This is evidenced by the successful synthesis of a new vanadium-based MOF that exhibits excellent performance for cryogenic H 2 storage. Notably, the total gravimetric and volumetric H 2 uptakes are as high as 9.0 wt% and 50.0 g/L at 77 K and 150 bar. This ML-assisted materials design offers an efficient and promising approach for developing hydrogen storage materials.

08 HYDROGEN↗

Creep/Rupture Behavior of Melt-Infiltrated SiC/SiC Composites Being Investigated

The failure behavior of melt-infiltrated SiC/SiC ceramic matrix composites is under investigation at the NASA Glenn Research Center as part of NASA's Ultra-Efficient Engine Technology Program. This material was originally developed under the High Speed Research Office's Enabling Propulsion Materials Program. Creep and rupture data provide accelerated testing information to predict material behavior under engine use situations (1500 to 2400 F). This information gives insights into various material development paths to improve composites as well as improve understanding of failure mechanisms. The left figure shows the fracture surface of a CMC material following over 200 hr of testing at 2400 F. This surface demonstrates the kind of fibrous pullout desirable for maximum crack deflection, hence non-brittle failure. Microscopy suggests that creep and rupture of these materials can best be considered as a probabilistic property, rather than a material property. Fiber failure occurs first in isolated regions, while stronger adjacent fibers remain intact. The right figure shows a region where oxide deposits blur and round the fiber images. Because the oxidation kinetics of SiC are well understood, this oxide scale can be used as a measure of the length of time various regions of the composites have been exposed to the environment, hence providing vital information regarding the sequence of failure. The oxide scale in the right figure indicates an early failure of this tow of fibers, whereas adjacent tows remain oxide free, suggesting failure much later in time. The path of various cracks can be followed throughout the composite in this manner, suggesting failure mechanisms.

Hurst, Janet B.↗

Solar Concentrator Advanced Development Program, Task 1

Solar dynamic power generation has been selected by NASA to provide power for the space station. Solar dynamic concentrator technology has been demonstrated for terrestrial applications but has not been developed for space applications. The object of the Solar Concentrator Advanced Development program is to develop the technology of solar concentrators which would be used on the space station. The first task of this program was to develop conceptual concentrator designs and perform trade-off studies and to develop a materials data base and perform material selection. Three unique concentrator concepts; Truss Hex, Spline Radial Panel and Domed Fresnel, were developed and evaluated against weighted trade criteria. The Truss Hex concept was recommended for the space station. Materials data base development demonstrated that several material systems are capable of withstanding extended periods of atomic oxygen exposure without undesirable performance degradation. Descriptions of the conceptual designs and materials test data are included.

Source record↗

Thermochemistry of Aerospace Materials

The reliability and development of aerospace materials in extreme environments relies on a comprehensive understanding of their thermochemical properties. Such properties are commonly used for equilibrium phase stability calculations of interactions with corrosive environments at very high temperatures. These calculations can lead to in-depth understanding of degradation mechanisms in both coatings and components for applications such as nuclear thermal propulsion and gas turbine engines, both of which are part of NASA’s current R&D focus for improving propulsion systems for aerospace missions. The first part of this talk summarizes and discuss our current thermochemical calculations of the behavior of ceramic-ceramic (cercer) UN-based fuels and their coating systems during nuclear thermal rocket operation. The second part of the talk summarizes and discuss the energetics of reactions of ceramic coating materials and their binary oxide components with silicate melts measured by high temperature reaction calorimetry.

Nuclear Thermal propulsion↗

Upper Stage Engine Composite Nozzle Extensions

Carbon-carbon (C-C) composite nozzle extensions are of interest for use on a variety of launch vehicle upper stage engines and in-space propulsion systems. The C-C nozzle extension technology and test capabilities being developed are intended to support National Aeronautics and Space Administration (NASA) and United States Air Force (USAF) requirements, as well as broader industry needs. Recent and on-going efforts at the Marshall Space Flight Center (MSFC) are aimed at both (a) further developing the technology and databases for nozzle extensions fabricated from specific CC materials, and (b) developing and demonstrating low-cost capabilities for testing composite nozzle extensions. At present, materials development work is concentrating on developing a database for lyocell-based C-C that can be used for upper stage engine nozzle extension design, modeling, and analysis efforts. Lyocell-based C-C behaves in a manner similar to rayon-based CC, but does not have the environmental issues associated with the use of rayon. Future work will also further investigate technology and database gaps and needs for more-established polyacrylonitrile- (PAN-) based C-C's. As a low-cost means of being able to rapidly test and screen nozzle extension materials and structures, MSFC has recently established and demonstrated a test rig at MSFC's Test Stand (TS) 115 for testing subscale nozzle extensions with 3.5-inch inside diameters at the attachment plane. Test durations of up to 120 seconds have been demonstrated using oxygen/hydrogen propellants. Other propellant combinations, including the use of hydrocarbon fuels, can be used if desired. Another test capability being developed will allow the testing of larger nozzle extensions (13.5- inch inside diameters at the attachment plane) in environments more similar to those of actual oxygen/hydrogen upper stage engines. Two C-C nozzle extensions (one lyocell-based, one PAN-based) have been fabricated for testing with the larger-scale facility.

Valentine, Peter G.↗

Active Control Technology at NASA Langley Research Center

NASA Langley has a long history of attacking important technical opportunities from a broad base of supporting disciplines. The research and development at Langley in this subject area range from the test tube to the test flight. The information covered here will range from the development of innovative new materials, sensors and actuators, to the incorporation of smart sensors and actuators in practical devices, to the optimization of the location of these devices, to, finally, a wide variety of applications of these devices utilizing Langley's facilities and expertise. Advanced materials are being developed for sensors and actuators, as well as polymers for integrating smart devices into composite structures. Contributions reside in three key areas: computational materials; advanced piezoelectric materials; and integrated composite structures. The computational materials effort is focused on developing predictive tools for the efficient design of new materials with the appropriate combination of properties for next generation smart airframe systems. Research in the area of advanced piezoelectrics includes optimizing the efficiency, force output, use temperature, and energy transfer between the structure and device for both ceramic and polymeric materials. For structural health monitoring, advanced non-destructive techniques including fiber optics are being developed for detection of delaminations, cracks and environmental deterioration in aircraft structures. The computational materials effort is focused on developing predictive tools for the efficient design of new materials with the appropriate combination of properties for next generation smart airframe system. Innovative fabrication techniques processing structural composites with sensor and actuator integration are being developed.

Antcliff, Richard R.↗

Processing materials in space - The history and the future

The development of materials processing in space, and some of the Soyuz, Apollo, Skylab, and Shuttle orbital materials experiments are reviewed. Consideration is given to protein crystal growth, electrophoresis, low-gravity isoelectric focusing, phase partitioning, a monodisperse latex reactor, semiconductor crystal growth, solution crystal growth, the triglycine sulfate experiment, vapor crystal growth experiments, the mercuric iodide experiment, electronic and electrooptical materials, organic thin films and crystalline solids, deep undercooling of metals and alloys, magnetic materials, immiscible materials, metal solidification research, reluctant glass-forming materials, and containerless glass formation. The space processing apparatuses and ground facilities, for materials processing are described. Future facilities for commercial research, development, and manufacturing in space are proposed.

Chassay, Roger↗

Microgravity polymer and crystal growth at the Advanced Materials Center for the Commercial Development of Space

The microgravity research programs currently conducted by the Advanced Materials Center for the Commercial Development of Space (CCDS) are briefly reviewed. Polymer processing in space, which constitutes the most active microgravity program at the Advanced Materials CCDS, is conducted in three areas: membrane processing, multiphase composite behavior, and plasma polymerization. Current work in microgravity crystal growth is discussed with particular reference to the development of the Zeolite Crystal Growth facility.

Mccauley, Lisa A.↗

Electrochemical Ultracapacitors Using Graphitic Nanostacks

Electrochemical ultracapacitors (ECs) have been developed using graphitic nanostacks as the electrode material. The advantages of this technology will be the reduction of device size due to superior power densities and relative powers compared to traditional activated carbon electrodes. External testing showed that these materials display reduced discharge response times compared to state-of-the-art materials. Such applications are advantageous for pulsed power applications such as burst communications (satellites, cell phones), electromechanical actuators, and battery load leveling in electric vehicles. These carbon nanostructures are highly conductive and offer an ordered mesopore network. These attributes will provide more complete electrolyte wetting, and faster release of stored charge compared to activated carbon. Electrochemical capacitor (EC) electrode materials were developed using commercially available nanomaterials and modifying them to exploit their energy storage properties. These materials would be an improvement over current ECs that employ activated carbon as the electrode material. Commercially available graphite nanofibers (GNFs) are used as precursor materials for the synthesis of graphitic nanostacks (GNSs). These materials offer much greater surface area than graphite flakes. Additionally, these materials offer a superior electrical conductivity and a greater average pore size compared to activated carbon electrodes. The state of the art in EC development uses activated carbon (AC) as the electrode material. AC has a high surface area, but its small average pore size inhibits electrolyte ingress/egress. Additionally, AC has a higher resistivity, which generates parasitic heating in high-power applications. This work focuses on fabricating EC from carbon that has a very different structure by increasing the surface area of the GNF by intercalation or exfoliation of the graphitic basal planes. Additionally, various functionalities to the GNS surface will be added that can exhibit pseudocapacitance. This pseudocapacitance exhibits faradaic (charge transfer) properties that can further increase the overall relative and volumetric capacitance of the material. A process is also proposed to use GNF as a precursor material to fabricate GNS that will be used as EC electrodes. This results in much better electrical conductivity than activated carbon. This is advantageous for high-pulsed-power applications to reduce parasitic heating. Larger average pore size allows more complete electrolyte wetting (faster charge transfer kinetics). These properties contribute to a lowered equivalent series resistance (ESR), increased specific power, shorter charging times, and decreased parasitic heating. The high density of basal plane edges provides nucleation sites for activation (addition of hydrophilic functional groups) that facilitate electrolyte wetting, and will contribute to pseudocapacitance.

Marotta, Christopher↗

MATERIALS AND INTERFACIAL ENGINEERING FOR HIGH- PERFORMANCE ALL-SOLID-STATE BATTERIES

Developing advanced energy storage systems may address the increasing concerns of energy shortage and environmental issues. Among many energy storage technologies, electrochemical energy storage systems such as lithium-ion batteries have been widely used in various applications. However, current lithium-ion batteries using flammable liquid electrolytes may cause a safety risk. All-solid-state sodium batteries (ASSSBs) have been attracting considerable attention as safe and low-cost alternatives to Li-ion batteries. However, the performance of ASSSBs falls short of the requirements for commercial applications mainly due to the challenges at the electrode-solid electrolyte interface. The goal of this dissertation is to develop new materials and interfacial engineering methods for high-performance ASSSBs with favorable electrode-electrolyte interfaces. In this dissertation, I demonstrate three effective strategies to address the interfacial challenges, namely through the use of organic cathode materials, new solid electrolyte development, and interfacial engineering.

Hao, Fang↗

Fully flooded elastohydrodynamic lubricated elliptical contacts

Emphasis is on fully flooded, elastohydrodynamic lubricated, elliptical contacts. A fully flooded conjunction is one in which the film thickness is not significantly changed when the amount of lubricant is increased. A brief description of the relevant equations used in the elastohydrodynamic lubrication of elliptical contacts is given. The most important practical aspect of the elastohydrodynamic theory is the determination of the minimum film thickness within the contact. The maintenance of a fluid film of adequate magnitude is an essential feature of the correct operation of lubricated machine elements. The results presented show the influence of contact geometry on minimum film thickness as expressed by the ellipticity parameter and the dimensionless speed, load, and materials parameters. Film thickness equations are developed for materials of high elastic modulus, such as metal, and for materials of low elastic modulus, such as rubber. In addition to the film thickness equations that are developed, plots of pressure and film thickness are presented. These theoretical solutions for film thickness have all the essential features of previously reported experimental observations based on optical interferometry. Correlation between theory and experiments is also presented.

Hamrock, B. J.↗

Development of experimental systems for material sciences under microgravity

As part of the Space Experiment Program of the Society of Japanese Aerospace Companies, three experimental systems (G452, G453, G454) have been developed for materials science studies under microgravity by the NEC Corporation. These systems are to be flown as Get Away Special payloads for studying the feasibility of producing new materials. Together with the experimental modules carrying the hardware specific to the experiment, the three systems all comprise standard subsystems consisting of a power supply, sequence controller, temperature controller, data recorder, and video recorder.

Tanii, Jun↗