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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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43 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Controlled microwave assisted synthesis of functionalized silica nanoparticles

A functionalized fiber. The functionalized fiber includes a fiber strand and silica nanoparticles at least partially encapsulating the fiber strand. The silica nanoparticles are synthesized by hydrolyzing a tetramethyl orthosilicate in hydrochloric acid to form silicic acid monomers. The silicic acid monomers are diluted in acetone and irradiated for a time that is less than 90 seconds with an energy source configured to generate microwave frequency energy to polymerize the silicic acid monomers into the silica nanoparticles.

Owens, John G.↗
DOE OSTI2022

Mitigation of Leakage and Water Ingress for a Promising Phase Change Material (PCM) Containing Polythylene Glycol (PEG): Preprint

A promising and cost-effective phase change material (PCM) containing polyethylene glycol (PEG) 600, 800, and/or 1000 has been synthesized. It is shape stabilized using a sol-gel method and displays promising thermal properties. These properties make the PCMs good candidates for thermal batteries and other thermal energy storage applications in the building sector. However, PEG leakage is observed at elevated temperatures, and due to the hygroscopic nature of PEG, moisture ingress is also observed, which can have a significant effect on performance and durability. Thus, we have developed hydrophobic coatings to prevent PEG leakage and mitigate moisture ingress. The selected approach involves a secondary sol-gel process during which a thin layer formulated with hydrophobic precursors is deposited onto the surface of the PCM samples. Several coating formulations have been investigated, including formulations composed of tetraethyl orthosilicate (TEOS), diethoxy(dimethyl)silane (DEDMS), triethoxymethylsilane (TEMS), and n- octyltriethoxysilane (OTES). We find that this is effective at increasing hydrophobicity of the PCM substrates. It also decreases substrate leakage.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2023

High capacity, air-stable, structurally isomorphous lithium alloy multilayer porous foams

The invention relates to composite multilayer lithium ion battery anodes that include a porous metal alloy foam, and a lithium ion conductor coating applied to the metal alloy foam. The metal alloy foam can include structurally isomorphous alloys of lithium and, optionally, lithium and magnesium. The lithium ion conductor coating can include ternary lithium silicate, such as, lithium orthosilicate. Lithium ions from the ternary lithium silicate may be deposited within the pores of the metal alloy foam. Optionally, the lithium ion conductor coating may include a dopant. The dopant can include one or more of magnesium, calcium, vanadium, niobium and fluorine, and mixtures and combinations thereof.

Kumta, Prashant N.↗
DOE OSTI2020

Functionalized Magnetic Nanoparticles for Technetium Sequestration from Groundwater

Technetium 99 (Tc) is among the most common environmental contaminants at DOE sites and one of the most common risk drivers in low- and high-level waste disposal sites. The majority of Tc is generated from anthropogenic sources, such as nuclear power plants, global weapons, nuclear storage facilities and medical applications. Through these sources, Tc contamination has been unintentionally introduced in to the environment. The most common chemical form of Tc is Tc(VII)O{sub 4}{sup -}. Due to its high solubility and mobility, Tc can enter the food chain and cause adverse health effects to humans. Currently, ion exchange resins and reduction processes are the most common approaches for Tc immobilization. Although these techniques have shown to be effective, they also possess major drawbacks, such as high cost, low adsorption capacity, and complex creation and maintenance. Therefore, development of more efficient and simple technologies for the remediation of Tc-contaminated systems are needed. Functionalized magnetic nanoparticles have been used to remove organic and inorganic contaminants from water resources. These nanoparticles have attracted extensive attention as an adsorbent material due to their large surface area, high efficiency, low-cost, easy functionalization and separation with a magnet. This study seek to develop functionalized magnetic iron oxide nanoparticles for the efficient removal of Tc and other heavy metal contaminants from water resources under ambient conditions. Objectives: Synthesize magnetic iron oxide nanoparticles and functionalize their surface with Cetyltrimethylammonium Bromide (CTAB) and tetraethyl-orthosilicate (TEOS). Characterize the synthesized nanoparticles using scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDS), Dynamic Light Scattering (DLS) and Zeta PALS. Perform adsorption studies to evaluate their adsorption behavior and capacity for (a) Technetium using Rhenium (ReO{sub 4}{sup -}) as a surrogate and (b) heavy metals, e.g. Cu{sup 2+}. Conclusions: Magnetic iron oxide nanoparticles were successfully functionalized with CTAB and TEOS. The functionalization of the iron oxide nanoparticles affects their surface charge and their hydrodynamic diameter. The addition of CTAB or TEOS decreased the hydrodynamic diameter of the nanoparticles due to repulsive and steric forces. The SEM micrographs show spherical nanoparticles of different sizes. The EDX analysis shows the presence of iron and oxygen from the iron oxide crystalline structure, and the different constituents of the CTAB and TEOS molecules. Proof-of-concept shows the successful adsorption of rhenium (ReO{sub 4}{sup -}) and copper Cu{sup 2+}) onto CTAB-Fe{sub 2}O{sub 3} and TEOS-Fe{sub 2}O{sub 3} respectively.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Effects of composition and pressure on electronic states of iron in bridgmanite

Electronic states of iron in the lower mantle's dominant mineral, (Mg,Fe,Al)(Fe,Al,Si)O 3 bridgmanite, control physical properties of the mantle including density, elasticity, and electrical and thermal conductivity. However, the determination of electronic states of iron has been controversial, in part due to different interpretations of Mössbauer spectroscopy results used to identify spin state, valence state, and site occupancy of iron. We applied energy-domain Mössbauer spectroscopy to a set of four bridgmanite samples spanning a wide range of compositions: 10–50% Fe/total cations, 0–25% Al/total cations, 12–100% Fe 3+ /total Fe. Measurements performed in the diamond-anvil cell at pressures up to 76 GPa below and above the high to low spin transition in Fe 3+ provide a Mössbauer reference library for bridgmanite and demonstrate the effects of pressure and composition on electronic states of iron. Results indicate that although the spin transition in Fe 3+ in the bridgmanite B-site occurs as predicted, it does not strongly affect the observed quadrupole splitting of 1.4 mm/s, and only decreases center shift for this site to 0 mm/s at ~70 GPa. Thus center shift can easily distinguish Fe 3+ from Fe 2+ at high pressure, which exhibits two distinct Mössbauer sites with center shift ~1 mm/s and quadrupole splitting 2.4–3.1 and 3.9 mm/s at ~70 GPa. Correct quantification of Fe 3+ /total Fe in bridgmanite is required to constrain the effects of composition and redox states in experimental measurements of seismic properties of bridgmanite. Furthermore, in Fe-rich, mixed-valence bridgmanite at deep-mantle-relevant pressures, up to ~20% of the Fe may be a Fe 2.5+ charge transfer component, which should enhance electrical and thermal conductivity in Fe-rich heterogeneities at the base of Earth's mantle.

58 GEOSCIENCES↗
DOE OSTI2023

Gas-mediated trace element incorporation into rhyolite-hosted topaz: A synchrotron microbeam XAS study

Magmatic gas exsolving during late-stage cooling of shallow magmas has been considered an important facilitator of low-pressure alteration and metal transport. However, the chemical properties of such gas, particularly its metal transport mechanisms and capacity, remain elusive. Trace elements in minerals produced by gas-mediated surface reaction or precipitation from gas capture details of gas composition and reaction pathways. However, interpretation of mineral trace element contents is dependent on understanding crystallographic controls on gas/mineral partitioning. Here, this work investigates the structural accommodation of As, Mn, Ga, Ge, Fe, and Ti in vapor-deposited topaz of vesicular topaz rhyolite from the Thomas Range, Utah, through single-crystal synchrotron microbeam X-ray techniques on picogram quantities of those trace elements. X-ray absorption near edge structure (XANES) data indicates that these elements are incorporated into topaz as As 5+ , Fe 3+ , Mn 3+ , Ti 4+ , Ga 3+ , and Ge 4+ . Extended X-ray absorption fine structure (EXAFS) analysis for these trace elements, compared to EXAFS of structural Al and Si, reveals that As 5+ and Ge 4+ are incorporated directly into the tetrahedral site of the topaz structure, with the octahedral site accommodating Mn 3+ , Fe 3+ , Ga 3+ , and Ti 4+ . For As 5+ and Fe 3+ , the structural impact of substitution extends to at least second neighbors (other elements were only resolvable to first neighbors). Further interpretation of the EXAFS results suggests that the substitution of Ti 4+ results in increased distortion of the octahedral site, while the other trace elements induce more uniform expansion correlating in magnitude to their ionic radius. Comparison of quantified X-ray fluorescence (XRF) data for two topaz crystals from this rhyolite reveals variable trace element concentrations for As 5+ , Fe 3+ , Ga 3+ , and Ti 4+ , reflective of a source gas undersaturated in these trace elements changing in concentration over the period of topaz deposition. The identical Ge 4+ content of the two topaz crystals suggests that Ge 4+ in the gas was buffered by the growth of another Ge 4+ -bearing phase, such as quartz. The very low Mn 3+ content in the topaz crystals does not reflect the abundance of Mn 3+ in the gas (saturation of Mn is evidenced by coexisting bixbyite). Instead, it suggests a strong Jahn-Teller inhibitory effect to the substitution of Mn 3+ for Al 3+ in the distorted octahedral site of topaz. It is proposed that exsolution of an HF-enriched gas from cooling rhyolitic magma led to local scouring of Al, Si, and trace metals from the magma. Once topaz crystals nucleated, self-catalyzed reactions that recycle HF led to continued growth of topaz.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Microstructural Changes and Pb Mobility During the Zircon to Reidite Transformation: Implications for Planetary Impact Chronology

Impact events modify and leave behind a complex history of rock metamorphism on terrestrial planets. Evidence for an impact event may be recorded in physical changes to minerals, such as mineral deformation and formation of high P-T polymorphs, but also in the form of chemical fingerprints, such as enhanced elemental diffusion and isotopic mixing. Here we explore laboratory shock-induced physical and chemical changes to zircon and feldspar, the former of which is of interest because its trace elements abundances and isotope ratios are used extensively in geochemistry and geochronology. To this end, a granular mixture of Bishop Tuff sanidine and Kuehl Lake zircon, both with well characterized Pb isotope compositions, was prepared and then shocked via a flat plate accelerator. The peak pressure of the experiment, as calculated by the impedance matching method, was ~24 GPa although a broader range of P-T conditions is anticipated due to starting sample porosity. Unshocked and shocked materials were characterized via scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), and Raman spectroscopy. These methods show that the starting zircon material had abundant metamict regions, and the conversion of the feldspar to glass in the post-shock material. Analyses of the shocked product also yielded multiple occurrences of the high-pressure ZrSiO 4 polymorph reidite, with some domains up to 300 μm across. The possibility of U-Pb system disturbance was evaluated via laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) and secondary ion mass spectrometry (SIMS). The isotopic data reveal that disturbance of the U-Pb geochronometer in the reidite was minimal (<2% for the main U-Pb geochronometers). To better constrain the P-T conditions during the shock experiment, we complement impedance matching pressure calculations with iSALE2D impact simulations. The simulated results yield a range of P-T conditions experienced during the experiment and show that much of the sample may have reached >30 GPa, which is consistent with formation of reidite. In the recovered shocked material, we identified lamellae of reidite, some of which interlock with zircon lamellae. Reidite {112} twins were identified, which we interpret to have formed to reduce stress between the crystal structure of the host zircon and reidite. These two findings support the interpretation that shear transformation enabled the transition of zircon to reidite. The size and presence of reidite found here indicate that this phase is probably common in impact-shocked crustal rocks that experienced ~25 to ~35 GPa, especially when the target material has porosity. Additionally, shock loading of the zircon and transformation to reidite at these pressures in porous materials is unlikely to significantly disturb the U-Pb system in zircon and that the reidite inherits the primary U and Pb elemental and isotopic ratios from the zircon.

Bishop Tuff↗