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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 595 records · Page 33

Reduced hazard chemicals for solid rocket motor production

During the last three years. the NASA/Thiokol/industry team has developed and started implementation of an environmentally sound manufacturing plan for the continued production of solid rocket motors. NASA Marshall Space Flight Center (MSFC) and Thiokol Corporation have worked with other industry representatives and the U.S. Environmental Protection Agency (EPA) to prepare a comprehensive plan to eliminate all ozone depleting chemicals from manufacturing processes and reduce the use of other hazardous materials used to produce the space shuttle reusable solid rocket motors. The team used a classical approach for problem-solving combined with a creative synthesis of new approaches to attack this challenge.

Larry A. Caddy↗

CO2 Sensors Based on Nanocrystalline SnO2 Doped with CuO

Nanocrystalline tin oxide (SnO2) doped with copper oxide (CuO) has been found to be useful as an electrical-resistance sensory material for measuring the concentration of carbon dioxide in air. SnO2 is an n-type semiconductor that has been widely used as a sensing material for detecting such reducing gases as carbon monoxide, some of the nitrogen oxides, and hydrocarbons. Without doping, SnO2 usually does not respond to carbon dioxide and other stable gases. The discovery that the electrical resistance of CuO-doped SnO2 varies significantly with the concentration of CO2 creates opportunities for the development of relatively inexpensive CO2 sensors for detecting fires and monitoring atmospheric conditions. This discovery could also lead to research that could alter fundamental knowledge of SnO2 as a sensing material, perhaps leading to the development of SnO2-based sensing materials for measuring concentrations of oxidizing gases. Prototype CO2 sensors based on CuO-doped SnO2 have been fabricated by means of semiconductor-microfabrication and sol-gel nanomaterial-synthesis batch processes that are amendable to inexpensive implementation in mass production.

Xu, Jennifer C.↗

Accelerated carbonation and structural transformation of blast furnace slag by mechanochemical alkali-activation

Alternative cements and production routes are necessary to offset the considerable global CO 2 emissions of Portland cement production. The combination of alkali-activation and mechanochemical milling in a CO 2 rich atmosphere is a promising green direction for synthesizing cementitious material as it upcycles hazardous material (slag) while capturing wt% of CO 2 during synthesis. We investigate the resulting structural transformations incurred during synthesis and hydration using a suite of characterization techniques including solid-state 27 Al, 29 Si, and 13 C NMR. The local aluminosilicate network structure of the processed clinker is best described by a melilite-type structure. Upon hydration, the network polymerizes to form a calcium, sodium aluminosilicate hydrate gel. The synthesis route also creates various metastable carbonates and bicarbonates from captured CO 2 and alkali-additives that transform into stable carbonate phases like calcite, aragonite, and gaylussite, after hydration. These findings indicate accelerated carbonation reactions occur during clinker production and demonstrates novelty as a green cement technology.

36 MATERIALS SCIENCE↗

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↗

Microwave-Assisted Preparation of Luminescent Inorganic Materials: A Fast Route to Light Conversion and Storage Phosphors

Luminescent inorganic materials are used in several technological applications such as light-emitting displays, white LEDs for illumination, bioimaging, and photodynamic therapy. Usually, inorganic phosphors (e.g., complex oxides, silicates) need high temperatures and, in some cases, specific atmospheres to be formed or to obtain a homogeneous composition. Low ionic diffusion and high melting points of the precursors lead to long processing times in these solid-state syntheses with a cost in energy consumption when conventional heating methods are applied. Microwave-assisted synthesis relies on selective, volumetric heating attributed to the electromagnetic radiation interaction with the matter. The microwave heating allows for rapid heating rates and small temperature gradients yielding homogeneous, well-formed materials swiftly. Luminescent inorganic materials can benefit significantly from the microwave-assisted synthesis for high homogeneity, diverse morphology, and rapid screening of different compositions. The rapid screening allows for fast material investigation, whereas the benefits of enhanced homogeneity include improvement in the optical properties such as quantum yields and storage capacity.

59 BASIC BIOLOGICAL SCIENCES↗

Spatial separation of triplet excitons drives endothermic singlet fission

Molecules that undergo singlet fission, converting singlet excitons into pairs of triplet excitons, have potential as photovoltaic materials. The possible advantages of endothermic singlet fission (enhanced use of photon energy and larger triplet energies for coupling with common absorbers) motivated us to assess the role of exciton delocalization in the activation of this process. Here we report the synthesis of a series of linear perylene oligomers that undergo endothermic singlet fission and have endothermicities in the range 5-10 kBT at room temperature in solution. We study these compounds using transient spectroscopy and modelling to unravel the singlet and triplet dynamics. We show that the minimal number of coupled chromophores needed to undergo endothermic singlet fission is three, which provides sufficient statistical space for triplet excitons to separate and avoid annihilation - and a subsequent fast return to the singlet state. Our data additionally suggest that torsional motion of chromophores about the molecular axis following triplet-pair separation contributes to the increase in entropy, thus lengthening the triplet lifetime in longer oligomers.

14 SOLAR ENERGY↗

Recyclable Graphene Sheets as a Growth Template for Crystalline ZnO Nanowires

Recent advances in nanoscience have opened ways of recycling substrates for nanomaterial growth. Novel materials, such as atomically thin materials, are highly desirable for the recycling substrates. In this work, we report recycling of monolayer graphene as a growth template for synthesis of single crystalline ZnO nanowires. Selective nucleation of ZnO nanowires on graphene was elucidated by scanning electron microscopy and density functional theory calculation. Growth and subsequent separation of ZnO nanowires was repeated up to seven times on the same monolayer graphene film. Raman analyses were also performed to investigate the quality of graphene structure along the recycling processes. The chemical robustness of graphene enables the repetitive ZnO nanowire growth without noticeable degradation of the graphene quality. This work presents a route for graphene as a multifunctional growth template for diverse nanomaterials such as nanocrystals, aligned nanowires, other two-dimensional materials, and semiconductor thin films.

36 MATERIALS SCIENCE↗

Low-gravity homogenization and solidification of aluminum antimonide

The III-V semiconducting compound AlSb shows promise as a highly efficient solar cell material, but it has not been commercially exploited because of difficulties in compound synthesis. Liquid state homogenization and solidification of AlSb were carried out in the Apollo-Soyuz Test Project Experiment MA-044 in the hope that compositional homogeneity would be improved by negating the large density difference between the two constituents. Post-flight analysis and comparative characterization of the space-processed and ground-processed samples indicate that there are major homogeneity improvements in the low-gravity solidified material.

Ang, C.-Y.↗

Molten Salt Reactors and Electrochemical Reprocessing: Synthesis and Chemical Durability of Potential Waste Forms for Metal and Salt Waste Streams

The molten salt reactor (MSR) is one of the leading advanced nuclear reactor candidates to replace current nuclear reactor technologies in the U.S. Besides having more economical and reliable designs, MSRs have are amenable to a closed fuel cycle, in which electrochemical reprocessing can be performed to recycle the used nuclear fuel. This review intends to provide information about potential waste forms for metal and salt waste streams from these salt-based nuclear processes. Metal waste streams arise from reactor components and structural materials. Salt waste streams are generated during reactor operations as fission products build up in salt-fueled systems. Waste forms that have the highest waste loading and/or have shown the most commercial promise are discussed with an emphasis on the current state of efforts to understand the synthesis and chemical durability of metal and ceramic waste forms.

molten salt reactors, electrochemical reprocessing↗

Atomically Precise Membranes for the Separation of Gases

Industrial separations require enormous amounts of energy, accounting for approximately half the industrial energy use and 10–15% of the total energy consumption. Distillation alone accounts for about half the energy demand for industrial separations. If these processes could be replaced by an energy-efficient membrane separation process, this energy demand could be reduced by 90%. However, although some membrane processes have made inroads into thermal distillation, for membrane-based separations to replace the distillation process to a far more significant and practical level, new membranes with higher robustness, selectivity, and flux still need be developed. In this membrane development program, we leveraged Temple University’s prior work in spiroligomers to develop robust membrane structures. These structures can be formed into atomically precise pores by controlling the chemical synthesis and the oligomer building blocks to first build precisely controlled macrocycles and then subsequently crosslinking these macrocycles to produce a membrane. Furthermore, through the highly controllable chemistry of our molecular building blocks, not only can we integrate pores with highly controllable and reproducible size and morphology, but we can also target internal functionalization. By using a range of scalable membrane synthesis approaches, combined with control of each and every pores internal chemistry and molecular conformation we can achieve membrane structures that can display the ultimate in high selectivity and permeance. The Mainstream-Temple University membranes can be designed to achieve ultra-selective separations based on the key factors of molecular size, shape, and functionality. In our approach to fabricate scalable atomically precise membranes, we used our molecular Lego nanostructures. We demonstrated an approach to create atomically precise pores within the membrane with pores that are the dimensions of the molecule we are trying to separate. Moreover, in addition to controlling the morphology of the membrane structure by controlling the size of every pore, we can also decorate every pore with precisely targeted and placed functional groups. These accurately placed functional groups can provide selective binding to molecules and provide enhanced selectivity via a facilitated transport mechanism. In Phase II, the Mainstream-Temple University team demonstrated the scalable synthesis of oligomers and the ability to control the pore internal and external functionality, or chemistry, to allow the fabrication of a thin-film membrane. The initial steps of the spiroligomer synthesis to produce the two key bis-amino enantiomer building blocks were scaled from the gram scale to the kilogram scale, obtaining 25 kg of the materials by transferring the procedure to a toll manufacturer. Finally, we successfully optimized the fabrication of these macrocycles into robust membranes. We successfully transitioned from a laboratory based, hard-to-scale Langmuir trough synthesis to a highly scalable, roll-to-roll applicable, interfacial polymerization process. During this Phase II program, we established a platform of atomically precise membranes where our highly controllable, atomically precise macrocycles served as a scaffold with precisely and uniformly controlled pores. Furthermore, this layer can be tailored to accommodate a diverse range of functional groups, which both further controlled the pore size to enhance the sieving effect as well as imparting precisely controlled targeted selectivity through biomimetic molecular interactions. In this Phase II, we established and scaled up a platform approach to both tune the pore size and chemistry as well as scale it to produce membranes that can be applied to a wide range of industries. In future development, the project team expects to scale up both the macrocycle building block production and interfacial polymerization process to produce the atomically precise membrane with targeted pore sizes and pore chemistries.

36 MATERIALS SCIENCE↗

Synthesis of Thick Hg x Cd 1– x Se Nanoplatelets by Cation Exchange Catalyzed by Silver Ions, Showing Amplified Spontaneous Emission

II-VI semiconductor nanoplatelets have emerged as promising candidates for various applications, owing to their tunable optical properties dictated by their thickness and compositions. In the realm of infrared technology, mercury chalcogenides stand out as particularly promising materials for optoelectronic applications. However, the direct synthesis of 2D particles in this category remains challenging, thus prompting the exploration of alternative methods such as cation exchange. Here, we demonstrate that the cation exchange process from cadmium to mercury can be effectively catalyzed by monovalent Ag + cations. Further, this catalysis facilitates the formation of alloyed Hg x Cd 1-x Se nanoplatelets with tunable optical properties, with the photoluminescence peak ranging from 1.23 eV for the thinnest three-monolayer (ML) nanoplatelets to 0.92 eV for the thickest 7 ML nanoplatelets. The Ag + ions reduce the activation energy of the cation exchange process by a factor of 2, enabling enhanced penetration of mercury atoms deep into the native CdSe nanoplatelets. Moreover, these nanoplatelets exhibit optical gain in the infrared spectrum, including the 1.3 μm telecommunication band, with a fluence threshold at 80 K of 50 μJ∙cm -2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Compositionally Complex Spinel Oxides as Conversion Anodes for Lithium-Ion Batteries

Four different compositionally complex multicomponent M 3 O 4 spinels containing 5–8 distinct metals were prepared by a rapid combustion synthesis method or solvothermal synthesis. High resolution synchrotron X-ray diffraction patterns show that the materials consist primarily of spinel phases with small amounts of rock salt impurities, and, in several samples, a minor amount of contracted spinel phase. Materials were investigated as conversion anodes in lithium half-cells and delivered significantly higher capacities than two-component MgFe 2 O 4 made by combustion synthesis. X-ray absorption near-edge structure (XANES) was used to estimate the oxidation states of the metals in the pristine, lithiated (discharged) and delithiated (charged) materials to better understand the redox processes in half cells that led to the improvement. Co, Ni, and Zn are reduced to low oxidation states during lithiation (cell discharge) but are only partially oxidized. The presence of a conductive metallic network that forms after lithiation is thought to account for the improved electrochemical characteristics. Interestingly, in most of the samples, iron is not fully reduced during initial lithiation unlike what happens with a set of related high entropy spinel ferrites studied previously. Finally, the improved electrochemical properties of these materials illustrates both the advantages of complexity and the difficulties in predicting their behavior.

25 ENERGY STORAGE↗

Lunar base CELSS: A bioregenerative approach

During the twenty-first century, human habitation of a self-sustaining lunar base could become a reality. To achieve this goal, the occupants will have to have food, water, and an adequate atmosphere within a carefully designed environment. Advanced technology will be employed to support terrestrial life-sustaining processes on the Moon. One approach to a life support system based on food production, waste management and utilization, and product synthesis is outlined. Inputs include an atmosphere, water, plants, biodegradable substrates, and manufacutured materials such as fiberglass containment vessels from lunar resources. Outputs include purification of air and water, food, and hydrogen (H2) generated from methane (CH4). Important criteria are as follows: (1) minimize resupply from Earth; and (2) recycle as efficiently as possible.

Easterwood, G. W.↗

Multivariate Parameter Sets for Optimal Synthesis of Compliant Mechanisms

This paper will propose the use of control maps along with discretized elements or meshes in the design parameter set for optimizing compliant mechanisms. The use of control maps will be demonstrated to encode the motion of groups of nodes or control points within a compliant mechanism design with simple mapping rules. The technique will serve as an alternative to increased mesh size or node wandering techniques that have been proposed to increase the number of alternative design shapes that may be considered. As an alternative approach, the proposed control map parameterization has the significant benefit that it minimizes the number of design parameters necessary (parameters increase linearly with the mesh size) in describing a given design making it computationally efficient. A limited number of tiles can produce a map that has a significant effect on the final shape. If the tiles are chosen appropriately, the problems such as material overlap and non-convex mesh elements are avoided automatically. This paper will describe the implementation of these control maps and provide several examples showing their implementation in the compliant mechanism topology synthesis process.

Shibakov, Alex↗

Fischer-Tropsch Catalyst for Aviation Fuel Production

As the oil supply declines, there is a greater need for cleaner alternative fuels. There will undoubtedly be a shift from crude oil to non-petroleum sources as a feedstock for aviation (and other transportation) fuels. The Fischer-Tropsch process uses a gas mixture of carbon monoxide and hydrogen which is converted into various liquid hydrocarbons; this versatile gas-to-liquid technology produces a complex product stream of paraffins, olefins, and oxygenated compounds such as alcohols and aldehydes. The Fischer-Tropsch process can produce a cleaner diesel oil fraction with a high cetane number (typically above 70) without any sulfur and aromatic compounds. It is most commonly catalyzed by cobalt supported on alumina, silica, or titania or unsupported alloyed iron powders. Cobalt is typically used more often than iron, in that cobalt is a longer-active catalyst, has lower water-gas shift activity, and lower yield of modified products. Promoters are valuable in improving Fischer-Tropsch catalyst as they can increase cobalt oxide dispersion, enhance the reduction of cobalt oxide to the active metal phase, stabilize a high metal surface area, and improve mechanical properties. Our goal is to build up the specificity of the Fischer-Tropsch catalyst while adding less-costly transition metals as promoters; the more common promoters used in Fischer-Tropsch synthesis are rhenium, platinum, and ruthenium. In this report we will describe our preliminary efforts to design and produce catalyst materials to achieve our goal of preferentially producing C8 to C18 paraffin compounds in the NASA Glenn Research Center Gas-To-Liquid processing plant. Efforts at NASA Glenn Research Center for producing green fuels using non-petroleum feedstocks support both the Sub-sonic Fixed Wing program of Fundamental Aeronautics and the In Situ Resource Utilization program of the Exploration Technology Development and Demonstration program.

deLaRee, Ana B.↗

Fischer-Tropsch Catalyst for Aviation Fuel Production

As the oil supply declines, there is a greater need for cleaner alternative fuels. There will undoubtedly be a shift from crude oil to nonpetroleum sources as a feedstock for aviation (and other transportation) fuels. The Fischer-Tropsch process uses a gas mixture of carbon monoxide and hydrogen which is converted into various liquid hydrocarbons; this versatile gas-to-liquid technology produces a complex product stream of paraffins, olefins, and oxygenated compounds such as alcohols and aldehydes. The Fischer-Tropsch process can produce a cleaner diesel oil fraction with a high cetane number (typically above 70) without any sulfur and aromatic compounds. It is most commonly catalyzed by cobalt supported on alumina, silica, or titania or unsupported alloyed iron powders. Cobalt is typically used more often than iron, in that cobalt is a longer-active catalyst, has lower water-gas shift activity, and lower yield of modified products. Promoters are valuable in improving Fischer-Tropsch catalyst as they can increase cobalt oxide dispersion, enhance the reduction of cobalt oxide to the active metal phase, stabilize a high metal surface area, and improve mechanical properties. Our goal is to build up the specificity of the Fischer-Tropsch catalyst while adding less-costly transition metals as promoters; the more common promoters used in Fischer-Tropsch synthesis are rhenium, platinum, and ruthenium. In this report we will describe our preliminary efforts to design and produce catalyst materials to achieve our goal of preferentially producing C8 to C18 paraffin compounds in the NASA Glenn Research Center Gas-To-Liquid processing plant. Efforts at NASA Glenn Research Center for producing green fuels using non-petroleum feedstocks support both the Sub-sonic Fixed Wing program of Fundamental Aeronautics and the In Situ Resource Utilization program of the Exploration Technology Development and Demonstration program.

DeLaRee, Ana B.↗

Thermodynamic and Kinetic Mechanisms Governing the Synthesis of Nickel-Poor Cathodes

A deeper understanding of the thermodynamics and kinetics governing the lithiation and layering mechanisms of NMC cathode materials (LiNixMnyCozO 2 , where x + y + z = 1) offers valuable insights for enhancing synthesis methods and improving cathode performance. By employing atomistic and mesoscale approaches informed by in situ powder X-ray diffraction (PXRD) experiments, critical parameters for comprehending lithiation and layering processes and reaction rates were identified. The mesoscale approach captured the evolution of the phases and crystallite size observed in the in situ PXRD, revealing the differences in reaction rates with the use of different lithium salts and starting precursors. Ab initio molecular dynamics (AIMD) underscored the importance of vacancies and structural defects in promoting ion mobility and facilitating the nucleation of a layered domain. This nucleation disrupts the symmetry of disordered phases, ultimately creating a strained phase that serves as a buffer between layered and disordered regions. The lithiation and layering processes reflect a dynamic balance between the thermodynamic drive for a low-energy layered structure and the kinetic of diffusion, which is influenced by temperature and lithium vacancy concentration. Overall, reaction mechanisms are driven by the inherent defects of the intermediate phase that differ for NMC cathode materials. The lithium salts impact the rates of lithiation and layering, with a much slower process for Li 2 CO 3 .

25 ENERGY STORAGE↗