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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Reflections on one million compounds in the open quantum materials database (OQMD)

Abstract Density functional theory (DFT) has been widely applied in modern materials discovery and many materials databases, including the open quantum materials database (OQMD), contain large collections of calculated DFT properties of experimentally known crystal structures and hypothetical predicted compounds. Since the beginning of the OQMD in late 2010, over one million compounds have now been calculated and stored in the database, which is constantly used by worldwide researchers in advancing materials studies. The growth of the OQMD depends on project-based high-throughput DFT calculations, including structure-based projects, property-based projects, and most recently, machine-learning-based projects. Another major goal of the OQMD is to ensure the openness of its materials data to the public and the OQMD developers are constantly working with other materials databases to reach a universal querying protocol in support of the FAIR data principles.

08 HYDROGEN↗
NASA NTRS2010

Nanomaterials Transform Hairstyling Tools

Dr. Dennis Morrison, a former scientist at Johnson Space Center, conducted research on microcapsules that were developed in space and designed to deliver drugs to cancerous tumors. This work led to research on nanoceramic materials, and in 2001, Morrison shared his expertise with Farouk Shami, the owner of Farouk Systems Inc., of Houston, Texas. After learning more, Shami developed a ceramic composite for his CHI (Cationic Hydration Interlink) hairstyling irons, brushes, nail lacquers, and hair dryers. Morrison also used his NASA research expertise as a platform to incorporate nanosilver and near-infrared light into the products.

Source record↗
NASA NTRSDate not supplied

Developing Materials and Coating Technologies for Mitigation of Lunar Dust Adhesion and Abrasion

In order to support long duration missions on the Moon’s surface, materials resistant to the harsh lunar environment are critically needed. Lunar dust poses a major threat to the durability of components and vehicles due to its fine, jagged morphology and highly abrasive nature, enabling the particles to adhere and embed onto surfaces of components and devices and potentially leading to premature failure. There is significant effort within NASA to develop novel materials and coating technologies to mitigate lunar dust adhesion and abrasion. This effort has been exploring a variety of production routes and examining properties of candidate material systems, including ceramic, metallic and polymeric. Manufacturing methods investigated include ceramic powder processing, additive manufacturing and surface modification via laser ablation patterning of bulk materials and coatings. An overview of ongoing NASA materials and coating research and development efforts to enable lunar surface exploration will be presented.

Materials, Coatings, lunar dust mitigation↗
NASA NTRSDate not supplied

Astrobee: Completed, Current, and Future Research using Free Flying Robots on the International Space Station

After four years on the International Space Station (ISS), the Astrobee Research Facility, has completed over 130 Test Sessions logging over 1000 hours of operations. Managed by the NASA ISS Program OZ office and supported by NASA Ames Research Center (ARC) in California, the Astrobee Team maintains three identical free-flying Astrobee robots for research on the ISS. As a technology demonstration platform, the Astrobee Robots are available for Guest Scientists to use for a spectrum of research capabilities. Astrobee, propelled by battery-operated fans, is designed to autonomously operate throughout most of the USOS (US Orbital Segment), with the objective of minimizing astronaut support. Astrobee carries a suite of six cameras, a two degree-of-freedom (DOF) arm with a gripper that can grasp ISS handrails and other objects, and three payload bays that provide power and data for guest science hardware. Astrobee can autonomously execute hours-long flight plans or be teleoperated from the ground or by astronauts. While the Astrobee Team continues to improve mapping and autonomous flight capabilities, one of the main goals of Astrobee Robots is to provide research opportunities for Guest Scientists. The Astrobee Robot Software (ARS) makes extensive use of the open-source Robot Operating System (ROS). The ARS can be used interchangeably with an Astrobee Simulator or as Astrobee’s onboard software. ARS features include autonomous docking and perching, real-time teleoperations from the ground, plan based autonomous tasks, multi Astrobee communication, among other capabilities. Through simulation software and ground testing laboratories, the Astrobee Team is available to support Guest Scientists during development and testing and lead real-time ISS operations. Guest Scientists can participate in this research opportunity following the Guest Science Lifecycle (GSL) shown in Figure 1: Guest Science Lifecycle below. The Astrobee Team and Guest Scientists have complete research including Gecko materials studies, RFID and sound sensing capabilities, student Robotics Programming Challenges, and Free Flyer formation flight investigations. Current science with the Astrobee Robots includes Free Flyer self-toss studies, new docking capabilities, advanced mapping resolution capabilities, and high resolution panoramic imagery. Future Guest scientists and Astrobee Team research will focus on robotics applications for future NASA missions such as Gateway and Artemis and potential experiments involving human-robot interactions. This presentation will focus on four main subjects, 1) completed, current, and future planned research using the Astrobee robots, 2) how Guest Scientist get from conception to the ISS, 3) Astrobee Facility resources available for Guest Science ground testing and real-time ISS operations support, and 4) lessons learned from four years of ISS operations.

Astrobee↗
DOE OSTI2023

High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research

Solubility is crucial for redox flow batteries because it affects their energy density. A data-driven approach based on artificial intelligence/machine learning models can accelerate the development of highly soluble redox-active materials, but the lack of relevant, large-quantity data makes accurate solubility prediction difficult. To overcome this deficiency, we developed a high-throughput experimentation process that combines a robotically controlled platform with high-throughput methodology to collect large-scale and high-quality solubility data. We demonstrate the potential utility and applicability of this high-throughput process by measuring the aqueous and non-aqueous solubilities of redox-active materials and studying the effect of additives on their solubilities for both aqueous and non-aqueous redox flow battery applications. A redox flow battery based on our optimized negative electrolyte formulation and a ferrocyanide-positive electrolyte offers highly stable performance over 18 days (>100 cycles) with consistent capacity and a 24% boost in energy density.

25 ENERGY STORAGE↗
NASA NTRS1993

Material requirements for the High Speed Civil Transport

Under NASA-sponsored High Speed Research (HSR) programs, the materials and processing requirements have been identified for overcoming the environmental and economic barriers of the next generation High Speed Civil Transport (HSCT) propulsion system. The long (2 to 5 hours) supersonic cruise portion of the HSCT cycle will place additional durability requirements on all hot section engine components. Low emissions combustor designs will require high temperature ceramic matrix composite liners to meet an emission goal of less than 5g NO(x) per Kg fuel burned. Large axisymmetric and two-dimensional exhaust nozzle designs are now under development to meet or exceed FAR 36 Stage III noise requirements, and will require lightweight, high temperature metallic, intermetallic, and ceramic matrix composites to reduce nozzle weight and meet structural and acoustic component performance goals. This paper describes and discusses the turbomachinery, combustor, and exhaust nozzle requirements of the High Speed Civil Transport propulsion system.

Stephens, Joseph R.↗
DOE OSTI2021

Optimizing the self-assembly of conjugated polymers and small molecules through structurally programmed non-covalent control

Organic conjugated polymers and oligomers are key electronic materials for applications such as transistors, photovoltaics, and light emitting devices due to their potential for solution processability, mechanical flexibility, and precise structure-based tuning compared to inorganic materials. In dilute environments, the optoelectronic properties of conjugated polymers are largely governed by their constitutional structure and, to a lesser degree, their solution-state intramolecular configuration. In the solid state, intramolecular conformation and intermolecular electronic coupling impact these properties substantially, especially in relation to device performance. Therefore, an increasingly important area of research concerning conjugated materials is developing design strategies aimed at optimizing the solid-state packing for electronic applications. Programming solid-state packing arrangements through discrete non-covalent interactions is an emerging strategy within the context of conjugated polymers. This review focuses on the use of the two most prevalent discrete and directional interactions used to dictate the self-assembly of conjugated polymers and oligomers—hydrogen bonds and chalcogen bonds. Further, we also discuss how these design motifs can imbue conjugated materials with appealing physical properties while simultaneously retaining or improving electronic capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigating the Effect of Water on the Mechanical Properties of Cellulose from Multiscale Molecular Dynamics Simulations

Classical molecular dynamics (MD) simulations provide insight into the structure and physicochemical properties of materials with atomic resolution. However, the length and time scales accessible to atomistic MD are orders of magnitude smaller than many relevant processes such as the response of a bulk material to experimentally accessible strain rates, which presents challenges when comparing models to experimental measurements. Bottom-up coarse-graining provides a means for systematically mapping atomistic information to lower resolution models to increase the length and time scales achievable by simulation. Cellulose is an abundant carbohydrate biopolymer with applications to many fields of research, such as materials science and renewable energy, due to its desirable mechanical properties and viability for conversion into biofuel. The effect of moisture content on the Young's modulus of cellulose is of special interest due to its native environment often being in the hydrated secondary plant cell wall and the grinding energy requirements for biomass feedstock preprocessing. The current work investigates the effects of water solvent on the Young's modulus of cellulose calculated from coarse-grained MD mechanical stress simulations. The coarse-grained model was parametrized from atomistic MD calculations of cellulose-cellulose potentials of mean force using umbrella sampling techniques under vacuum and solvated conditions. The Young's moduli of the coarse-grained cellulose assemblies parametrized from cellulose in vacuum or solvated in water were computed via mechanical stress simulations to highlight the importance of capturing solvent interactions for modeling the mechanical behavior of cellulose.

BASIC BIOLOGICAL SCIENCES,RADIATION PROTECTION AND↗
DOE OSTI2024

Salt Hydrate Eutectic Thermal Energy Storage for Building Thermal Regulation (Final Technical Report)

Thermal energy storage is anticipated to play an important role in developing the power grid of the future - a power grid that meets increasing demands of users, is resistant to disruptions, but also allows for greater penetration of renewable resources. Specifically, thermal energy storage materials can be integrated into HVAC systems and building envelopes, where they can be used to shift power demands for building climate control from periods of peak demand to periods of low demand. Phase change materials (PCMs) are compelling as low-cost, high energy density thermal energy storage materials for building thermal management. However, there is a lack of high performance low-cost PCMs within the specific temperature ranges which would most effectively allow for power load shifting. Inorganic salt hydrates represent a promising class of PCMs, but their inherent limitations cause them to be currently unavailable for reliable building applications. The overarching goals of this research effort are to: 1) Discover low-cost, high volumetric density salt hydrate eutectic PCMs to store low-quality heat (10 to 40 °C); 2) Introduce a high thermal conductivity matrix to reduce the time constant for energy storage to ~0.1 to 1 hr, incorporate nucleation catalysts to decrease undercooling, and utilize microencapsulation and shape stabilization approaches, minimizing moisture loss/gain, mitigating phase separation, and maintaining stable melting behavior over the lifetime of the compounds; 3) Evaluate the impact these systems have on peak load shifting, and the potential for overall energy savings under different climatic scenarios and building configurations. These goals will be achieved by an integrated research program consisting of six cohesive research subtasks: 1) Materials discovery of eutectic salt hydrate PCMs by using computationally predicted thermodynamic equilibria, coupled with high-throughput experimental validation, 2) Rapid experimental screening of nucleation catalysts identified through robust computational databases, 3) Embedding salt hydrate PCM into a low cost and scalable high conductivity matrix, 4) Microencapsulation of salt hydrate microspheres using hybrid inorganic-polymer microencapsulation approach, 5) Shape stabilization by thermoreversible salt hydrate salogels, and 6) Analysis of end-use using thermal simulations, and characterization of mock-up energy storage finished components.

25 ENERGY STORAGE↗
DOE OSTI2025

Enhanced Design of Radiation Tolerant High-Temperature Structural Health Monitoring Sensors

Acoustic emission sensors are vital in the nuclear industry for real-time structural health monitoring and early detection of material degradation. By capturing high-frequency stress waves emitted from defects like cracks, corrosion, or fatigue, acoustic emission sensors enable non-invasive monitoring of critical components such as reactor vessels, piping, and containment structures. This technology supports predictive maintenance, enhances safety, and ensures regulatory compliance by providing early warnings of potential failures. It is also instrumental in research, particularly in material testing reactors, where it is used to monitor the behavior of fuels and materials under irradiation, by allowing the detection of cracking or other acoustic signals in real time. This enables the evaluation of performance and accident behavior of advanced fuel concepts.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2023

Enhanced Switching Reliability of Hf 0.5 Zr 0.5 O 2 Ferroelectric Films Induced by Interface Engineering

Ferroelectric materials have been widely researched for applications in memory and energy storage. Among these materials and benefiting from their excellent chemical compatibility with complementary metal–oxide–semiconductor (CMOS) devices, hafnia-based ferroelectric thin films hold great promise for highly scaled semiconductor memories, including nonvolatile ferroelectric capacitors and transistors. However, variation in the switched polarization of this material during field cycling and a limited understanding of the responsible mechanisms have impeded their implementation in technology. Here, we show that ferroelectric Hf 0.5 Zr 0.5 O 2 (HZO) capacitors that are nearly free of polarization “wake-up”─a gradual increase in switched polarization as a function of the number of switching cycles─can be achieved by introducing ultrathin HfO 2 buffer layers at the HZO/electrodes interface. High-resolution transmission electron microscopy (HRTEM) reveals crystallite sizes substantially greater than the film thickness for the buffer layer capacitors, indicating that the presence of the buffer layers influences the crystallization of the film (e.g., a lower ratio of nucleation rate to growth rate) during postdeposition annealing. This evidently promotes the formation of a polar orthorhombic (O) phase in the as-fabricated buffer layer samples. Synchrotron X-ray diffraction (XRD) reveals the conversion of the nonpolar tetragonal (T) phase to the polar orthorhombic (O) phase during electric field cycling in the control (no buffer) devices, consistent with the polarization wake-up observed for these capacitors. The extent of T–O transformation in the nonbuffer samples is directly dependent on the duration over which the field is applied. Here these results provide insight into the role of the HZO/electrodes interface in the performance of hafnia-based ferroelectrics and the mechanisms driving the polarization wake-up effect.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Tensile Strength and Microstructure of Al2O3-ZrO2 Hypo-Eutectic Fibers Studied

Oxide eutectics offer high-temperature strength retention and creep resistance in oxidizing environments. Al2O3-ZrO2 eutectic strengths have been studied since the 1970's. Directionally solidified oxide eutectics exhibit improved resistance to slow crack growth and excellent strength retention at high temperatures up to 1400 C. Materials studied typically contain Y2O3 to metastably retain the high-temperature cubic and tetragonal polymorphs at room temperature. Al2O3-ZrO2 is of fundamental interest for creep studies because it combines a creep-resistant material, Al2O3, with a very low creep resistance material, ZrO2. Results on mechanical properties and microstructures of these materials will be used to define compositions for creep testing in future work. Substantial variations from the eutectic alumina to zirconia ratio can be tolerated without a loss in room-temperature strength. The effect of increasing Y2O3 addition on the room-temperature tensile strength of an Al2O3-ZrO2 material containing excess Al2O3 was examined at the NASA Glenn Research Center, where the materials were grown using Glenn's world-class laser growth facilities.

Farmer, Serene C.↗
NASA NTRS2008

Water-Based Coating Simplifies Circuit Board Manufacturing

The Structures and Materials Division at Glenn Research Center is devoted to developing advanced, high-temperature materials and processes for future aerospace propulsion and power generation systems. The Polymers Branch falls under this division, and it is involved in the development of high-performance materials, including polymers for high-temperature polymer matrix composites; nanocomposites for both high- and low-temperature applications; durable aerogels; purification and functionalization of carbon nanotubes and their use in composites; computational modeling of materials and biological systems and processes; and developing polymer-derived molecular sensors. Essentially, this branch creates high-performance materials to reduce the weight and boost performance of components for space missions and aircraft engine components. Under the leadership of chemical engineer, Dr. Michael Meador, the Polymers Branch boasts world-class laboratories, composite manufacturing facilities, testing stations, and some of the best scientists in the field.

Source record↗
DOE OSTI2024

Quest for environmentally sustainable materials: A case for animal-based fillers and fibers in polymeric biocomposites

This review explores the potential of animal-based fillers and fibers as eco-friendly alternatives to conventional synthetic ones. Examining materials such as wool, silk, feather, hair and beak, the review elucidates their chemistry, structure, properties and sources, emphasizing biodegradability and renewability. It also discusses the compatibility of these materials with polymer matrices and their mechanical, acoustic and thermal performances. Further, the review critically analyzes environmental and ethical implications, presenting challenges and opportunities in the emerging field. By addressing ecological and performance aspects, it contributes to global efforts in fostering sustainability in materials science. Future research to address gaps and enhance the design, manufacture and application of animal-based reinforcements in various industries are clearly outlined at the end of the review.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evaluation of Cathode Materials with Lithium-Metal Anodes: Baseline Performance and Protocol Standardization of Coin Cells

The collaborative evaluation of electrode materials across multiple research entities requires standardized electrochemical testing protocols to produce reliable, one-to-one comparisons between different systems of interest. Similar to the work done by Long et al. on protocol standardization for coin-cell testing with graphite anodes [J. Electrochem. Soc., 163, A2999, (2016)], here we introduce two standardized testing protocols designed to quickly evaluate important electrochemical properties of cathode materials using lithium-metal anodes. The two protocols measure kinetic and thermodynamic capacity losses, rate- and voltage-dependent cycling capacities, instabilities at high voltage and high cycling rate, and overpotentials at various states of charge. We then apply these protocols to four commercially available cathode materials to establish benchmark performance metrics that can be used to screen and evaluate new cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2022

Review of recent developments in iodine wasteform production

Radioiodine capture and immobilization is not only important to consider during the operation of reactors (i.e., I-131), during nuclear accidents (i.e., I-131 and I-129) or nuclear fuel reprocessing (i.e., I-131 and I-129), but also during disposal of nuclear wastes (i.e., I-129). Most disposal plans for I-129-containing waste forms (including spent nuclear fuel) propose to store them in underground repositories. Here, iodine can be highly mobile and, given its radiotoxicity, needs to be carefully managed to minimize long-term environmental impacts arising from disposal. Typically, any process that has been used to capture iodine from reprocessing or in a reactor is not suitable for direct disposal, rather conversion into a wasteform for disposal is required. The objectives of these materials are to use either chemical immobilization or physical encapsulation to reduce the leaching of iodine by groundwaters. Some of the more recent ideas have been to design capture materials that better align with disposal concepts, making the industrial processing requirements easier. Research on iodine capture materials and wasteforms has been extensive. This review will act as both an update on the state of the research since the last time it was comprehensively summarized, and an evaluation of the industrial techniques required to create the proposed iodine wasteforms in terms of resulting material chemistry and applicability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

Materials processing in space - An overview of studies in the U.S.A.

The paper reviews the evolution of the U.S. Materials Processing In Space Program, current materials processing in space program, and future programs. The discussion covers a summary of significant findings from previous flight experiments, a current assessment of the attractive areas for future experimentation, and a synopsis of the experiments accepted for future Space Processing Application Rocket (SPAR) and Spacelab flights. The ultimate goal is to develop a viable commercial interest in using space (1) to perform research for improving industrial technology or developing new products; (2) to prepare research quantities of material to serve as paradigms for comparing current earth-based technologies; (3) to manufacture limited quantities of a unique product to test market potential, or to fulfill a limited but compelling need; and (4) to produce materials in space of adequate quantity and value to be economically self-sufficient.

Naumann, R. J.↗