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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Simultaneously Enhanced Hydrophilicity and Stability of a Metal-Organic Framework via Post-Synthetic Modification for Water Vapor Sorption/Desorption

With increasing demands for high-performance water sorption materials, metal-organic frameworks (MOFs) have gained considerable attention due to their high maximum uptake capacities. In many cases, however, high overall capacity is not necessarily accomplishing high working capacity under operating conditions, due to insufficient hydrophilicity and/or water stability. Herein, we present a post-synthetic modification (PSM) of MOF-808, with di-sulfonic acids enhancing simultaneously its hydrophilicity and water stability without sacrificing its uptake capacity of ≈30 mmol g -1 . Further, di-sulfonic acid PSM enabled a shift of the relative humidity (RH) associated with a sharp step in water vapor sorption from 35–40 % RH in MOF-808 to below 25 % RH. While MOF-808 lost uptake capacity and crystallinity over multiple sorption/desorption cycles, the di-sulfonic acid PSM MOF-808 retained >80 % of the original capacity. PSM MOF-808 exhibited good hydrothermal stability up to 60 °C and high swing capacity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Advanced and functional composite materials via additive manufacturing: Trends and perspectives

Additive manufacturing (AM) has many advantages over conventional subtractive manufacturing methods. The cost-effective AM allows for precise fabrication of complex structures with less material waste, making it a popular manufacturing process in many applications. The recent development of AM materials has advanced significantly. Further, by precisely controlling material distribution and microstructural features, AM facilitates the creation of new composites with specific requirements. AM techniques have contributed considerably to integrating unique functionalities for various applications. This review emphasizes multiple categories of materials, including metal alloys, polymer-based composites, and sustainable composites, as well as applications of sensing materials and strategies and emerging artificial intelligence and machine learning.

36 MATERIALS SCIENCE↗
NASA NTRS1970

Evaluation of nonmetallic thermal protection materials for the manned space shuttle. Volume 1, task 1: Assessment of technical risks associated with utilization of nonmetallic thermal protection system

Technical problems of design and flight qualification of the proposed classes of surface insulation materials and leading edge materials were reviewed. A screening test plan, a preliminary design data test plan and a design data test plan were outlined. This program defined the apparent critical differences between the surface insulators and the leading edge materials, structuring specialized screening test plans for each of these two classes of materials. Unique testing techniques were shown to be important in evaluating the structural interaction aspects of the surface insulators and a separate task was defined to validate the test plan. In addition, a compilation was made of available information on proposed material (including metallic TPS), previous shuttle programs, pertinent test procedures, and other national programs of merit. This material was collected and summarized in an informally structured workbook.

Wilkinson, W. H.↗
NASA NTRS1973

Flammability control for electrical cables and connectors

Technique of covering fire-hazardous sections of electrical wiring with fireproof materials prevents fires from spreading in oxygen-enriched atmospheres and eliminates use of heavy metal enclosures. Materials used to cover potting on connectors and ground terminals are made from Teflon-coated Beta cloth and Fluorel, a nonflammable fully-saturated polymer.

Wick, W. O.↗
NASA NTRS1974

A review of the compatibility of structural materials with oxygen

Consideration of the problem of ignition and combustion of structural materials, particularly metals, which may come in contact with oxygen during its production, transport, and use. Following a review of the historical development of compatibility problems and research, a detailed account is given of compatibility testing methods aimed at detecting probable ignition sources, such as mechanical impact, electric sparks or flashes, heat, sound waves, abrasion, and surface fractures. A summary is presented of the ignition and combustion research reported in the literature, dwelling particularly on papers concerning oxygen-related accidents and the compatibility of metals with high-pressure oxygen. The relative oxygen compatibility of a number of common materials is discussed, including that of nickel and copper alloys, stainless steels, aluminum alloys, and titanium alloys. Finally, an effort is made to pinpoint research areas which would enhance understanding of the compatibility of bulk materials.

Clark, A. F.↗
DOE OSTI2023

Tuning acidity in silica-overcoated oxides for hydroalkoxylation

Mixed oxides are ubiquitious solid acid catalysts for a number of transformations. Here, the chemistry of mixed oxide interfaces was experimentally probed by constructing model SiO 2 on MO x interfaces using a liquid-phase, stoichiometrically-controlled deposition of tetraethyl orthosilicate (TEOS). Catalytically active Brønsted sites were generated in four series of overcoated SiO 2 on metal oxide materials prepared by depositing TEOS onto Al 2 O 3 , anatase TiO 2 , Nb 2 O 5 , and ZrO 2 . Pyridine DRIFTS studies indicate that the acidity of deposited silanol groups was enhanced by interaction with the metal oxide surface, suggesting that pseudo-bridging silanol type structures were formed. Trimethylphosphine oxide (TMPO) 31 P NMR experiments showed that Brønsted acid strength varied in the overcoated materials, with increasing strength in the following order: SiO 2 /ZrO 2 < SiO 2 /TiO 2 < SiO 2 /Nb 2 O 5 < SiO 2 /Al 2 O 3 . This order correlated with the Lewis acidity and chemical hardness of the underlying metal oxides. The catalytic performance of the materials was evaluated in the liquid-phase hydroalkoxylation of dihydropyran with n-octanol, revealing that activity was highly dependent on SiO 2 loading, which impacted the density of acid sites, and scaled exponentially with Brønsted acid strength, determined by the core metal oxide identity. Brønsted acid strength appears to be the key driver of the materials’ activity, with the highest areal rate of 2.2 mmol / m 2 – h being measured over SiO 2 /Al 2 O 3 . Furthermore, this study shows that SiO 2 -overcoated materials are a systematically tunable class of catalysts that can be applied to acid catalyzed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Toward Understanding Pore Formation And Mobility During Controlled Directional Solidification In A Microgravity Environment Investigation (PFMI)

The generation and inclusion of detrimental porosity, e.g., "pipes" and "rattails" can occur during controlled directional solidification processing. The origin of these defects is generally attributed to gas evolution and entrapment during solidification of the melt. On Earth, owing to buoyancy, an initiated bubble can rapidly rise through the liquid melt and "pop" at the surface; this is obviously not ensured in a low gravity or microgravity environment. Clearly, porosity generation and inclusion is detrimental to conducting any meaningful solidification-science studies in microgravity. Thus it is essential that model experiments be conducted in microgravity, to understand the details of the generation and mobility of porosity, so that methods can be found to eliminate it. In hindsight, this is particularly relevant given the results of the previous directional solidification experiments conducted in Space. The current International Space Station (ISS) Microgravity Science Glovebox (MSG) investigation addresses the central issue of porosity formation and mobility during controlled directional solidification processing in microgravity. The study will be done using a transparent metal-analogue material, succinonitrile (SCN) and succinonitrile-water "alloys", so that direct observation and recording of pore generation and mobility can be made during the experiments. Succinonitrile is particularly well suited for the proposed investigation because it is transparent, it solidifies in a manner analogous to most metals, it has a convenient melting point, its material properties are well characterized and, it has been successfully used in previous microgravity experiments. The PFMI experiment will be launched on the UF-2, STS-111 flight. Highlighting the porosity development problem in metal alloys during microgravity processing, the poster will describe: (i) the intent of the proposed experiments, (ii) the theoretical rationale behind using SCN as the study material for porosity generation and migration and, (iii) the experimental protocol for the investigation of the effects of the processing parameters. Photographs of the flight experimental hardware, and the novel sample ampoule, will be exhibited. The experimental apparatus will be described in detail and a summary of the scientific objectives will be presented.

Grugel, R. N.↗
NASA NTRS2003

Toward Understanding Pore Formation and Mobility during Controlled Directional Solidification in a Microgravity Environment Investigation (PFMI)

The generation and inclusion of detrimental porosity, e.g., pipes and rattails can occur during controlled directional solidification processing. The origin of these defects is generally attributed to gas evolution and entrapment during solidification of the melt. On Earth, owing to buoyancy, an initiated bubble can rapidly rise through the liquid melt and pop at the surface; this is obviously not ensured in a low gravity or microgravity environment. Clearly, porosity generation and inclusion is detrimental to conducting any meaningful solidification-science studies in microgravity. Thus it is essential that model experiments be conducted in microgravity, to understand the details of the generation and mobility of porosity, so that methods can be found to eliminate it. In hindsight, this is particularly relevant given the results of the previous directional solidification experiments conducted in Space. The current International Space Station (ISS) Microgravity Science Glovebox (MSG) investigation addresses the central issue of porosity formation and mobility during controlled directional solidification processing in microgravity. The study will be done using a transparent metal-analogue material, succinonitrile (SCN) and succinonitrile-water 'alloys', so that direct observation and recording of pore generation and mobility can be made during the experiments. Succinonitrile is particularly well suited for the proposed investigation because it is transparent, it solidifies in a manner analogous to most metals, it has a convenient melting point, its material properties are well characterized and, it has been successfully used in previous microgravity experiments. The PFMI experiment will be launched on the UF-2, STS-111 flight. Highlighting the porosity development problem in metal alloys during microgravity processing, the poster will describe: (i) the intent of the proposed experiments, (ii) the theoretical rationale behind using SCN as the study material for porosity generation and migration and, (iii) the experimental protocol for the investigation of the effects of the processing parameters. Photographs of the flight experimental hardware, and the novel sample ampoule, will be exhibited. The experimental apparatus will be described in detail and a summary of the scientific objectives will be presented.

Grugel, Richard N.↗
NASA NTRS1990

The experimental evaluation and application of high-temperature solid lubricants

A research program is described which developes an understanding of high-temperature solid lubrication and experimental techniques through the development of a composite lubricant coating system. The knowledge gained through this research was then applied to a specific engineering challenge, the tribology of a sliding seal for hypersonic flight vehicles. The solid lubricant coating is a chromium carbide based composite combined with silver, which acts as a low temperature lubricant, and barium fluoride/calcium fluoride eutectic, which acts as a high-temperature lubricant. This composite coating provides good wear resistance and low friction for sliding contacts from room temperature to over 900 C in reducing or oxidative environments. The specific research on this coating included a composition screening using a foil gas bearing test rig and the use of thin silver films to reduce initial wear using a pin-on-disk test rig. The chemical stability of the materials used was also addressed. This research indicated that soft metallic films and materials which become soft at elevated temperatures are potentially good lubricants. The general results from the experiments with the model solid lubricant coating were then applied to a sliding seal design concept. This seal design requires that a braided ceramic fabric slide against a variety of metal counterface materials at temperatures from 25 to 850 C in an oxidative environment. A pin-on-disk tribometer was used to evaluate the tribological properties of these materials and to develop lubrication techniques. The results indicate that these seal materials must be lubricated to prevent wear and reduce friction. Thin films of silver, gold and calcium fluoride provided lubrication to the sliding materials.

Dellacorte, Christopher↗
DOE OSTI2020

Structure of the Polymer Backbones in polyMOF Materials

The molecular connectivity of polymer–metal–organic framework (polyMOF) hybrid materials was investigated using density functional theory calculations and solid-state NMR spectroscopy. The architectural constraints that dictate the formation of polyMOFs were assessed by examining poly(1,4-benzenedicarboxylic acid) (pbdc) polymers in two archetypical MOF lattices (UiO-66 and IRMOF-1). Modeling of the polyMOFs showed that in the IRMOF-1-type lattice, six, seven, and eight methylene (–CH 2 –) groups between 1,4-benzenedicarboxylate (terephthalate, bdc 2– ) units can be accommodated without significant distortions, while in the UiO-66-type lattice, an optimal spacing of seven methylene groups between bdc 2– units is needed to minimize strain. Solid-state NMR supports these predictions and reveals pronounced spectral differences for the same polymer in the two polyMOF lattices. With seven methylene groups, polyUiO-66-7a shows 7 ± 3% of uncoordinated terephthalate linkers, while these are undetectable (<4%) in the corresponding polyIRMOF-1-7a. Additionally, NMR-detected backbone mobility is significantly higher in the polyIRMOF-1-7a than in the corresponding polyUiO-66-7a, again indicative of taut chains in the latter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Advanced Porous Materials as Designer Platforms for Sequestering Radionuclide Pertechnetate

Technetium-99 ( 99 Tc), predominantly present as pertechnetate ( 99 TcO 4 – ), is a challenging contaminant in nuclear waste from artificial nuclear fission. The selective removal of 99 TcO 4 – from nuclear waste and contaminated groundwater is complex due to (i) the acidic and intricate nature of high-level liquid wastes; (ii) the highly alkaline environment in low-activity level tank wastes, such as those at Hanford, and in high-level wastes at locations like Savannah River; and (iii) the potential for 99 TcO 4 – to leak into groundwater, risking severe water pollution due to its high mobility. This Review focuses on recent developments in advanced porous materials, including metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and their amorphous counterparts, porous organic polymers (POPs). These materials have demonstrated exceptional effectiveness in adsorbing 99 TcO 4 – and similar oxyanions. We comprehensively review the adsorption mechanisms of these anions with the adsorbents, employing macroscopic batch/column experiments, microscopic spectroscopic analyses, and theoretical calculations. In conclusion, we present our perspectives on potential future research directions, aiming to overcome current challenges and explore new opportunities in this area. Our goal is to encourage further research into the development of advanced porous materials for efficient 99 TcO 4 – management.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Molecular orbital symmetry-driven trimer formation in Kagome correlated electron materials

Correlated electron materials with molecular orbital states extending over transition metal clusters can host multiferroicity, spin frustration, and unconventional insulating phases. However, the fundamental criteria that govern cluster formation and stability remain unclear. Here, we identify a symmetry, correlation, and electron-filling-driven criteria that stabilize triangular metal trimers in materials displaying transition metal Kagome patterns. Using density functional theory and chemical bonding analysis, we show that trimer formation emerges when 6–8 electrons occupy molecular orbitals derived from transition metal d-states, achieving near-complete filling of bonding states while avoiding antibonding occupation, and correlations are of intermediate strength. This principle explains the stability of Nb 3 X 8 (X = Cl, Br, I), and more broadly, our findings offer a general design rule to obtain quantum materials with quantum states extended across transition metal clusters.

Kumari, Varsha [Indiana Univ., Bloomington, IN (Un↗
DOE OSTI2022

Heteroatom-Doped Graphenes as Actively Interacting 2D Encapsulation Media for Mg-Based Hydrogen Storage

Nanoencapsulation using graphene derivatives enables the facile fabrication of two-dimensional (2D) nanocomposites with unique microstructures and has been generally applied to many fields of energy materials. Particularly, metal hydrides such as MgH 2 encapsulated by graphene derivatives have emerged as a promising hybrid material for overcoming the disadvantageous properties of Mg-based hydrogen storage. Although the behavior of the graphene–Mg nanoencapsulation interface has been studied for many composite materials, the direct modification of graphene with nonmetal foreign elements for changing the interfacial behavior has been limitedly reported. In this regard, using B-doped graphene and N-doped graphene as nanoencapsulation media for tuning the interfacial behavior of graphene derivative–Mg nanoparticles, we present altered hydrogen storage kinetics of heteroatom-doped (B and N) graphene–Mg composites. The effect of heteroatom doping is studied in terms of bonding configurations and heteroatom doping concentrations. The enhancement in hydrogen uptake was observed for all of the heteroatom-doped graphene–Mg nanocomposites. On the other hand, a few samples exhibit significantly low activation energy at the early stage of desorption, which can be related to the facilitated nucleus formation. Density functional theory calculation indicates that B-doping and N-doping accelerate hydrogen absorption kinetics in different ways, aiding charge transfer and inducing surface deformation of Mg nanoparticles, respectively. Their effects can be augmented in the presence of structural defects on graphene, such as vacancies, pores, or graphene edges. These results demonstrate that hydrogen storage kinetics of Mg-based systems can be altered by utilizing heteroatom-doped graphene oxide derivatives as 2D nanoencapsulation media, suggesting that the addition of a nonmetal doping element can also be applied to Mg-based hydrogen storage by modifying the nanoencapsulation interface without forming Mg alloy phases.

08 HYDROGEN↗
DOE OSTI2022

The Dependence of Olefin Hydrogenation and Isomerization Rates on Zirconium Metal–Organic Framework Structure

Zirconium metal–organic frameworks (Zr-MOFs) are a structurally diverse and well-defined class of materials studied in heterogeneous catalysis. Previously, we showed that partial dehydration of the Zr 6 O 8 node in NU-1000 results in heterolytic H 2 cleavage over adjacent Lewis acid and base sites, leading to catalytic conversion of 1-butene. In this work, given the ubiquity of the Zr 6 O 8 node as a secondary building unit (SBU) in Zr-MOFs, with many different potential MOF topologies and capping ligands surrounding the cluster, we study the influence of thermal pretreatments and MOF topology (MOF-808, NU-1000, UiO-66, and NU-1000-NDC) on the activity of the Zr 6 O 8 cluster for H 2 activation and 1-butene hydrogenation and isomerization. Diffuse reflectance IR in the presence of H 2 and pyridine shows that both thermal pretreatment and MOF topology affect the Brønsted acidity of protons generated from H 2 activation and their resulting activity for olefin conversion. High isomerization activity of dehydrated NU-1000 is correlated with the formation of μ 3 OH species after H 2 activation. Additionally, catalytic studies show that the geometry of open coordination sites on individual Zr 6 O 8 nodes influences butene hydrogenation. For this reason, MOF-808 gives anomalously low hydrogenation activity, despite its relatively high total number of open coordination sites, as calculated either from its crystal structure or from NH 3 adsorption. Furthermore, these results reiterate the importance of pretreatment in defining MOF catalytic activity and demonstrate that MOF topology, outside of simply affecting node accessibility, influences reactivity at individual nodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Final Report

This project focused on investigating the prospects of two-dimensional (2D) materials, transition metal dichalcogenides (TMDs) and graphene, for developing nanostructures that are potentially useful for quantum science. These materials class exhibit a range of fascinating electronic and optical properties and, due to their sub-nanometer thickness, are particularly well suited for confining electronic quantum states in atomic-size structures. The project involved developing first-principles calculations that can predict coherent lifetimes of defects; theoretical schemes for identifying new platforms suitable for studying the dynamics of driven quantum systems; and optical and electronic spectroscopy characterization of novel defects and heterostructures with the aim of creating the next generation of materials for quantum science. This report provides a brief background into the project, highlights some of the major achievements accomplished within the projects and lists the supported publications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2006

Floating the Ball: Advances in the Technology of Electrostatic Levitation

Electrostatic Levitation (ESL) is an emerging technology. The MSFC ESL is a NASA facility that supports investigations of refractory solids and melts. The facility can be used to process a wide variety of materials including metals, alloys, ceramics, glasses and semiconductors. Containerless processing via ESL provides a high-purity environment for the study of high temperature materials and access to metastable states. Scientific topics investigated in the facility include nucleation, undercooling, metastable state formation and metallic glass formation. Additionally, the MSFC ESL provides data for the determination of phase diagrams, time-temperature-transition diagrams, viscosity, surface tension, density, heat capacity and creep resistance. In order to support a diverse research community, the MSFC ESL facility has developed a number of technical capabilities, including a portable system for in situ studies of structural tran$hrmations during processing at the high-energy X-ray beamline at the Advanced Photon Source of Argonne National Laboratory. The capabilities of the MSFC ESL facilities will be discussed and selected results of materials processing and characterization studies will be presented.

Rogers, Jan R.↗
DOE OSTI2020

In-Can Incineration and Vitrification Process for the Treatment of Transuranic Wastes - 20035

Technological alpha contaminated wastes are produced by the nuclear fuel cycle management industry, essentially from MOX fuel production units. These Plutonium Contaminated Materials (PCM) contain a mixture of organic, metal and mineral materials, contaminated with uranium, plutonium and americium. One treatment scenario under study is to incinerate the organic materials, melt the metallic fraction and incorporate the mineral fraction (including ashes from organics incineration) into a glass matrix without sorting or pretreatment (grinding for instance). A scale 1 pilot of this PIVIC process (Process for Incineration and Vitrification In Can) has been commissioned in 2018 at the CEA R and D vitrification facility in Marcoule site. A R and D program aiming to demonstrate the feasibility of this process is currently on going. This paper starts with a description of PIVIC process with explanation of the technologies involved. Then, main results of the first year of operation with the technological demonstration goal are presented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗