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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

NdPO 4 solubility and aqueous Neodymium speciation in supercritical fluids: An experimental study at 500–700 °C and 1.7 kbar

A key aspect in the formation of rare earth elements (REE) deposits is the role of REE transport as aqueous REE complexes in supercritical hydrothermal solutions, where the nature of the aqueous complex is controlled by solution composition, temperature and pressure. Despite chloride being considered as one of the most abundant transporting ligands in magmatic-hydrothermal fluids, experimental investigations on the stability of aqueous REE chloride complexes are scarce above 300 °C. In this study, synthetic NdPO 4 crystals were reacted with non-saline and saline (0, 0.05 and 0.5 mNaCl), acidic (0.01 mHCl) aqueous solutions in a series of solubility experiments conducted at 500–700 °C and 1.7 kbar, where the solubilities were determined using a stable Nd isotope ( 145 Nd isotope spike) dilution technique. NdPO 4 solubility ranges between 28 ppm and 10,858 ppm, where solubility increases with both temperature and salinity. At 500 °C, log mNdPO 4 increases from –3.93 to –1.60 and there is a strong correlation between NdPO 4 solubility and NaCl concentrations (slope of 1.2 ± 0.3), indicating stabilization of the Nd chloride aqueous complexes with a stoichiometry corresponding to NdCl 2+ . At 600 °C, this correlation is weaker (slope of 0.4, log mNdPO 4 increases from –2.63 to –1.88) indicating the stabilization of both Nd chloride and hydroxyl species controlling solubility. At 700 °C, NdPO 4 solubility is largely independent of NaCl concentration indicating that solubility is controlled by Nd hydroxyl complexes, where stoichiometry suggests the neutral Nd(OH) 3 0 species is dominant. The solubility product (Ksp) of NdPO4 is derived from experimental data with the relation: log K sp = -41.81 – 0.057T – 20987/T, with T temperature in Kelvin. Comparison of the measured Nd phosphate solubility to thermodynamic predictions using the available Helgeson-Kirkham-Flowers equation of state parameters for aqueous Nd complexes indicate that predictions are up to three orders of magnitude lower compared to experimental observations. This discrepancy is most pronounced in saline solutions, suggesting that thermodynamic properties of the REE chloride species in supercritical fluids require revision. Numerical simulations of fluid-rock interaction between acidic, saline fluids and a Strange Lake felsic mineral assemblage demonstrates that NdPO 4 solubility predictions from models are four to six orders of magnitude lower than those calculated based on empirical fits from experiments, which suggests that acidic, saline fluids may play an important role in mobilizing large amounts of light REE from 450 to 700 °C.

58 GEOSCIENCES↗
DOE OSTI2025

Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex

A trivalent plutonium–pyrazinyl–tetrazolate complex Na 2 [Pu(Hdtp)(dtp) 2 (H 2 O) 4 ]·9H 2 O (Pu_dtp, H 2 dtp = 2,3-di-1H-tetrazol-5-ylpyrazine) was synthesized through metathesis reaction of plutonium bromide and Na 2 (dtp)·2H 2 O in water. This structure is particularly notable among complexes formed by trivalent f-elements and the dtp 2− ligand in aqueous media. In contrast to other trivalent f-elements, including all Ln 3+ (with the exception of Pm 3+ ) and Cm 3+ , preferentially coordinated with eight water molecules rather than the nitrogen donors of the dtp 2− ligand, Pu 3+ exhibits a distinct affinity for nitrogen coordination. This observation provides strong evidence that the 5f electrons in Pu 3+ are more delocalized than other studied trivalent f-elements. In Pu_dtp, three distinct Pu(III)–N bonds are present: one Pu(III)–N5 from pyrazinyl, one Pu(III)–N4 from the least electronegative nitrogen in the tetrazolate, and three Pu(III)–N1/N2/N3 from the most electronegative nitrogens in the tetrazolate. Experimental Pu(III)–N bond lengths, Wiberg bond indices (WBI), natural localized molecular orbitals (NLMO), quantum theory of atoms in molecules (QTAIM), and energy decomposition analysis (EDA), reveal a covalency trend: Pu(III)–N from the most electronegative nitrogen in tetrazolate > Pu(III)–N from the least electronegative nitrogen in tetrazolate > Pu(III)–N from pyrazinyl. This trend arises from the increased negative charge on the most electronegative nitrogen atoms in the tetrazolate ring, enhancing electrostatic Pu–N1/N2/N3 interactions. These stronger electrostatic interactions lead to shorter bond lengths, thereby enhancing orbital overlap and greater covalency, compared to the less electronegative nitrogen in tetrazolate (Pu–N4) and the neutral pyrazinyl nitrogen (Pu–N5).

Bai, Zhuanling [Colorado School of Mines, Golden, ↗
NASA NTRS1995

A satellite anemometer

This report describes the design, development, and testing of components of a satellite anemometer, an instrument for measuring neutral winds in the upper atmosphere from a satellite platform. The device, which uses four nearly identical pressure sensors, measures the angle of arrival of the bulk neutral flow in the satellite frame of reference. It could also be used in a feedback loop to control spacecraft attitude with respect to the ram velocity direction. We have now developed miniaturized ionization pressure gauges that will work well from the slip flow region near 115 km up to the base of the exosphere, which covers the entire altitude range currently being considered for Tether. Laboratory tests have demonstrated a very linear response to changes in ram angle out to +/- 20 deg. (transverse wind component of 2.7 km s(exp -1)) from the ram, and a monotonic response to out beyond 45 deg. Pitch (vertical wind) and yaw (horizontal wind) can be sampled simultaneously and meaningfully up to 10 Hz. Angular sensitivity of 30 arc seconds (approximately 1 ms(exp -1) is readily attainable, but absolute accuracy for winds will be approximately 1 deg (130 m/s) unless independent attitude knowledge is available. The critical elements of the design have all been tested in the laboratory.

Hanson, W. B.↗
DOE OSTI2025

Highly dense atomic Fe–Ni dual metal sites for efficient CO 2 to CO electrolyzers at industrial current densities

Carbon-supported, atomically dispersed, nitrogen-coordinated metal sites (e.g., Fe and Ni) are arguably the most promising catalysts for the electrochemical reduction of CO 2 to CO due to their unique catalytic properties and the use of earth-abundant elements. However, conventional single metal sites are constrained by their structural simplicity, causing either too weak or too strong absorption/desorption of multiple critical intermediates (e.g., *COOH and *CO). Current catalysts also suffer from ultra-low loadings (<1.0 wt%) of atomic metal active sites in catalysts, leading to inadequate performance for CO 2 -to-CO conversion. Here, we develop dual Ni/Fe metal site catalysts with significantly increased atomically dispersed metal loadings (up to 4.8 wt%). A gas-phase chemical vapor deposition (CVD) approach to introducing single Ni sites was integrated with Fe 2 O 3 /ZIF-8 precursors, followed by an optimal thermal activation. The optimized CVD-Ni/Fe–N–C catalyst exhibited remarkable electrocatalytic performance for the CO 2 reduction to CO in a continuous membrane-electrode-assembly electrolyzer, achieving a maximum CO faradaic efficiency (FE CO ) of 96% at a current density of 700 mA cm −2 in a near-neutral electrolyte. Furthermore, a desirable but challenging acidic flow-cell electrolyzer was designed using this dual metal site catalyst to improve CO 2 utilization, accomplishing a FE CO of up to 95% at a CO partial current density close to 600 mA cm −2 . Density functional theory (DFT) calculations suggest a synergetic effect between Fe–Ni pairs facilitating *COOH intermediate formation and *CO desorption simultaneously during CO 2 to CO conversion. This is key to breaking the linear scaling relationship of conventional single-metal site catalysts during the CO 2 reduction reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crystal structure of [Th 3 (Cp*) 3 (O)(OH) 3 ] 2 Cl 2 (N 3 ) 6 : a discrete molecular capsule built from multinuclear organothorium cluster cations

An unusually large and structurally complex charge-neutral polynuclear cluster, hexa-μ 2 -azido-di-μ 3 -chlorido-hexa-μ 2 -hydroxido-di-μ 3 -oxido-hexakis(pentamethylcyclopentadienyl)hexathorium–diethyl ether–tetrahydrofuran (1/0.56/1.44), [Th 3 (C 10 H 15 ) 6 Cl 3 (N 3 ) 6 (OH) 6 O 2 ]·0.56C 4 H 10 O·1.44C 4 H 8 O or [Th 3 (Cp*) 3 (O)(OH) 3 ] 2 Cl 2 (N 3 ) 6 ·0.56C 4 H 10 O·1.44C 4 H 8 O (Cp* = [pentamethylcyclopentadienyl]) − , has been crystallized as a mixed tetrahydrofuran/diethyl ether solvate and structurally characterized. The molecule contains a number of unusual features, the most notable being a finite yet exceptionally long cyclic metal-azido chain. These rare features are the consequence of both sterically protecting Cp* ligands and highly bridging oxide and hydroxide ligands in the same system and illustrate the interesting new possibilities that can arise from combining organometallic and solvothermal f -block element chemistry.

Kelley, Steven P.↗
NASA NTRS2006

Global Aspects of Heliosphere-Geosphere Coupling

The magnetosphere serves both to hold off the solar wind and to couple it selectively to the Earth through the auroral zones. It has long been understood that the plasmasphere consists of geogenic plasmas that expand out of the sunlit low latitude ionosphere, but it was initially assumed that the hot low density plasma beyond the plasmasphere is largely of solar wind origin with a minor admixture of ionospheric plasmas, discovered via mass spectrometric observations in the early 70's. Since then, elaborate simulation models have been developed that have taken us from an era of cartoon physics to a new era of quantitative global comparisons between observations and theory. In most current global circulation models of the magnetosphere, the ionospheric load on the system is taken to lie exclusively in the thin F layer of the ionosphere. This layer is coupled with solar wind and magnetospheric plasmas via Maxwell stresses communicated by field aligned current systems, and with the thermosphere via ion-neutral charge exchange and Coulomb collisions. However, recent observations have shown us that ionospheric plasmas flow sporadically in various forms into the plasmasphere and up into the high latitude circulation cells of the outer magnetosphere, as driven by the solar wind and its variable intensity and magnetic field. Under some conditions, ionospheric material is observed to be the principal component of plasmas at the dayside magnetopause and in the plasma sheet and ring current regions. Given a global model of magnetospheric circulation, it is relatively straightforward to investigate the behaviors of ionospheric plasmas in response to solar wind drivers, and we report the results of such efforts here. We find that ionospheric plasmas dominate the plasma pressure in the magnetosphere in some regions, particularly when the solar wind is especially intense and-or southward directed. This result violates the assumption that the ionospheric load is confined to the F layer, and shows that the ionosphere is often an important dynamic element of the solar wind-ionosphere system throughout the magnetosphere, especially during larger geospace storms. This means that future global circulation models must account for ionospheric plasma inertia, heat capacity, and pressure, to be quantitatively credible.

Moore, Thomas E.↗
NASA NTRS1994

Cometary Coma Chemical Composition (C4) Mission

Cometary exploration remains of great importance to virtually all of space science. Because comets are presumed to be remnants of the early solar nebula, they are expected to provide fundamental knowledge as to the origin and development of the solar system as well as to be key to understanding of the source of volatiles and even life itself in the inner solar system. Clearly the time for a detailed study of the composition of these apparent messages from the past has come. A comet rendezvous mission, the Cometary Coma Chemical Composition (C4) Mission, is now being studied as a candidate for the new Discovery program. This mission is a highly-focussed and usefully-limited subset of the Cometary Rendezvous Asteroid Flyby (CRAF) Mission. The C4 mission will concentrate on measurements that will produce an understanding of the composition and physical makeup of a cometary nucleus. The core science goals of the C4 mission are 1) to determine the chemical, elemental, and isotopic composition of a cometary nucleus and 2) to characterize the chemical and isotopic nature of its atmosphere. A related goal is to obtain temporal information about the development of the cometary coma as a function of time and orbital position. The four short-period comets -- Tempel 1, Tempel 2, Churyumov-Gerasimenko, and Wirtanen -which all appear to have acceptable dust production rates, were identified as candidate targets. Mission opportunities have been identified beginning as early as 1998. Tempel I with a launch in 1999, however, remains the baseline comet for studies of and planning the C4 mission. The C4 mission incorporates two science instruments and two engineering instruments in the payload to obtain the desired measurements. The science instruments include an advanced version of the Cometary Ice and Dust Experiment (CIDEX), a mini-CIDEX with a sample collection system, an X-ray Fluorescence Spectrometer and a Pyrolysis-Gas Chromatograph, and a simplified version of the Neutral Gas and Ion Mass Spectrometer (NIGMS). Both of these instruments have substantial heritage as they are based on those developed for the CRAF Mission. The engineering instruments include a simplified Comet Dust Environmental Monitor (SCODEM) and a navigational Camera, NAVCAM. While neither of the instruments will be permitted to establish science requirements, it is anticipated that significant science return will be accomplished Radio science will also be included.

Carle, Glenn C.↗
DOE OSTI2024

Lanthanide binding peptide surfactants at air–aqueous interfaces for interfacial separation of rare earth elements

Rare earth elements (REEs) are critical materials to modern technologies. They are obtained by selective separation from mining feedstocks consisting of mixtures of their trivalent cation. We are developing an all-aqueous, bioinspired, interfacial separation using peptides as amphiphilic molecular extractants. Lanthanide binding tags (LBTs) are amphiphilic peptide sequences based on the EF-hand metal binding loops of calcium-binding proteins which complex selectively REEs. We study LBTs optimized for coordination to Tb 3+ using luminescence spectroscopy, surface tensiometry, X-ray reflectivity, and X-ray fluorescence near total reflection, and find that these LBTs capture Tb 3+ in bulk and adsorb the complex to the interface. Molecular dynamics show that the binding pocket remains intact upon adsorption. We find that, if the net negative charge on the peptide results in a negatively charged complex, excess cations are recruited to the interface by nonselective Coulombic interactions that compromise selective REE capture. If, however, the net negative charge on the peptide is −3, resulting in a neutral complex, a 1:1 surface ratio of cation to peptide is achieved. Surface adsorption of the neutral peptide complexes from an equimolar mixture of Tb 3+ and La 3+ demonstrates a switchable platform dictated by bulk and interfacial effects. The adsorption layer becomes enriched in the favored Tb 3+ when the bulk peptide is saturated, but selective to La 3+ for undersaturation due to a higher surface activity of the La 3+ complex.

Ortuno Macias, Luis E. (ORCID:0000000284342192)↗
DOE OSTI2020

Iridium-Doped Nanosized Zn–Al Layered Double Hydroxides as Efficient Water Oxidation Catalysts

Layered double hydroxides (LDHs) are an ideal platform to host catalytic metal centers for water oxidation (WO) owing to the high accessibility of water to the interlayer region, which makes all centers potentially reachable and activated. In this paper, we report the syntheses of three iridium-doped zinc–aluminum LDHs (Ir-LDHs) nanomaterials (1–3, with about 80 nm of planar size and a thickness of 8 nm as derived by field emission scanning electron microscopy and powder X-ray diffraction studies, respectively), carried out in the confined aqueous environment of reverse micelles, through a very simple and versatile procedure. These materials exhibit excellent catalytic performances in WO driven by NaIO 4 at neutral pH and 25 °C, with an iridium content as low as 0.5 mol % (~0.8 wt %), leading to quantitative oxygen yields (based on utilized NaIO 4 , turnover number up to ~10,000). Nanomaterials 1–3 display the highest ever reported turnover frequency values (up to 402 min –1 ) for any heterogeneous and heterogenized catalyst, comparable only to those of the most efficient molecular iridium catalysts, tested under similar reaction conditions. The boost in activity can be traced to the increased surface area and pore volume (>5 times and 1 order of magnitude, respectively, higher than those of micrometric materials of size 0.3–1 μm) estimated for the nanosized particles, which guarantee higher noble metal accessibility. X-ray absorption spectroscopy (XAS) studies suggest that 1–3 nanomaterials, as-prepared and after catalysis, contain a mixture of isolated, single octahedral Ir(III) sites, with no evidence of Ir–Ir scattering from second-nearest neighbors, excluding the presence of IrO 2 nanoparticles. The combination of the results obtained from XAS, elemental analysis, and ionic chromatography strongly suggests that iridium is embedded in the brucite-like structure of LDHs, having four hydroxyls and two chlorides as first neighbors. These results demonstrate that nanometric LDHs can be successfully exploited to engineer efficient WOCs, minimizing the amount of iridium used, consistent with the principle of the noble-metal atom economy.

36 MATERIALS SCIENCE↗
NASA NTRS2012

MESSENGER at Mercury: Early Orbital Operations

The MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft, launched in August 2004 under NASA's Discovery Program, was inserted into orbit about the planet Mercury in March 2011. MESSENGER's three flybys of Mercury in 2008-2009 marked the first spacecraft visits to the innermost planet since the Mariner 10 flybys in 1974-1975. The unprecedented orbital operations are yielding new insights into the nature and evolution of Mercury. The scientific questions that frame the MESSENGER mission led to the mission measurement objectives to be achieved by the seven payload instruments and the radio science experiment. Interweaving the full set of required orbital observations in a manner that maximizes the opportunity to satisfy all mission objectives and yet meet stringent spacecraft pointing and thermal constraints was a complex optimization problem that was solved with a software tool that simulates science observations and tracks progress toward meeting each objective. The final orbital observation plan, the outcome of that optimization process, meets all mission objectives. MESSENGER's Mercury Dual Imaging System is acquiring a global monochromatic image mosaic at better than 90%coverage and at least 250 m average resolution, a global color image mosaic at better than 90%coverage and at least 1 km average resolution, and global stereo imaging at better than 80%coverage and at least 250 m average resolution. Higher-resolution images are also being acquired of targeted areas. The elemental remote sensing instruments, including the Gamma-Ray and Neutron Spectrometer and the X-Ray Spectrometer, are being operated nearly continuously and will establish the average surface abundances of most major elements. The Visible and Infrared Spectrograph channel of MESSENGER's Mercury Atmospheric and Surface Composition Spectrometer is acquiring a global map of spectral reflectance from 300 to 1450 nm wavelength at a range of incidence and emission angles. Targeted areas have been selected for spectral coverage into the ultraviolet with the Ultraviolet and Visible Spectrometer (UVVS). MESSENGER's Mercury Laser Altimeter is acquiring topographic profiles when the slant range to Mercury's surface is less than 1800 km, encompassing latitudes from 201S to the north pole. Topography over the remainder of the southern hemisphere will be derived from stereo imaging, radio occultations, and limb profiles. MESSENGER's radio science experiment is determining Mercury's gravity field from Doppler signals acquired during frequent downlinks. MESSENGER's Magnetometer is measuring the vector magnetic field both within Mercury's magnetosphere and in Mercury's solar wind environment at an instrument sampling rate of up to 20 samples/s. The UVVS is determining the three-dimensional, time-dependent distribution of Mercury's exospheric neutral and ionic species via their emission lines. During each spacecraft orbit, the Energetic Particle Spectrometer measures energetic electrons and ions, and the Fast Imaging Plasma Spectrometer measures the energies and mass per charge of thermal plasma components, both within Mercury's magnetosphere and in Mercury's solar-wind environment. The primary mission observation sequence will continue for one Earth year, until March 2012. An extended mission, currently under discussion with NASA, would add a second year of orbital observations targeting a set of focused follow-on questions that build on observations to date and take advantage of the more active Sun expected during 2012-2013. MESSENGER's total primary mission cost, projected at $446 M in real-year dollars, is comparable to that of Mariner 10 after adjustment for inflation.

Planetary Science↗
NASA NTRS2013

MESSENGER at Mercury: Early Orbital Operations

The MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft, launched in August 2004 under NASA's Discovery Program, was inserted into orbit about the planet Mercury in March 2011. MESSENGER's three flybys of Mercury in 2008-2009 marked the first spacecraft visits to the innermost planet since the Mariner 10 flybys in 1974-1975. The unprecedented orbital operations are yielding new insights into the nature and evolution of Mercury. The scientific questions that frame the MESSENGER mission led to the mission measurement objectives to be achieved by the seven payload instruments and the radio science experiment. Interweaving the full set of required orbital observations in a manner that maximizes the opportunity to satisfy all mission objectives and yet meet stringent spacecraft pointing and thermal constraints was a complex optimization problem that was solved with a software tool that simulates science observations and tracks progress toward meeting each objective. The final orbital observation plan, the outcome of that optimization process, meets all mission objectives. MESSENGER's Mercury Dual Imaging System is acquiring a global monochromatic image mosaic at better than 90% coverage and at least 250 m average resolution, a global color image mosaic at better than 90% coverage and at least 1 km average resolution, and global stereo imaging at better than 80% coverage and at least 250 m average resolution. Higher-resolution images are also being acquired of targeted areas. The elemental remote sensing instruments, including the Gamma-Ray and Neutron Spectrometer and the X-Ray Spectrometer, are being operated nearly continuously and will establish the average surface abundances of most major elements. The Visible and Infrared Spectrograph channel of MESSENGER's Mercury Atmospheric and Surface Composition Spectrometer is acquiring a global map of spectral reflectance from 300 to 1450 nm wavelength at a range of incidence and emission angles. Targeted areas have been selected for spectral coverage into the ultraviolet with the Ultraviolet and Visible Spectrometer (UVVS). MESSENGER's Mercury Laser Altimeter is acquiring topographic profiles when the slant range to Mercury's surface is less than 1800 km, encompassing latitudes from 20 deg. S to the north pole. Topography over the remainder of the southern hemisphere will be derived from stereo imaging, radio occultations, and limb profiles. MESSENGER's radio science experiment is determining Mercury's gravity field from Doppler signals acquired during frequent downlinks. MESSENGER's Magnetometer is measuring the vector magnetic field both within Mercury's magnetosphere and in Mercury's solar wind environment at an instrument sampling rate of up to 20 samples/s. The UVVS is determining the three-dimensional, time-dependent distribution of Mercury's exospheric neutral and ionic species via their emission lines. During each spacecraft orbit, the Energetic Particle Spectrometer measures energetic electrons and ions, and the Fast Imaging Plasma Spectrometer measures the energies and mass per charge of thermal plasma components, both within Mercury's magnetosphere and in Mercury's solar-wind environment. The primary mission observation sequence will continue for one Earth year, until March 2012. An extended mission, currently under discussion with NASA, would add a second year of orbital observations targeting a set of focused follow-on questions that build on observations to date and take advantage of the more active Sun expected during 2012-2013. MESSENGER's total primary mission cost, projected at $446 M in real-year dollars, is comparable to that of Mariner 10 after adjustment for inflation.

mercury↗
NASA NTRS1994

Solar fine scale structures in the corona, transition region, and lower atmosphere

The American Science and Engineering Soft X-ray Imaging Payload and the Naval Research Laboratory High Resolution Telescope and Spectrograph (HRTS) were launched from White Sands on 1987 December 11 in coordinated sounding rocket flights. The goal was to investigate the correspondence of fine-scale structures from different temperature regimes in the solar atmosphere, and particularly the relationship between X-ray bright points (XBPs) and transition region explosive events. We present results of the analysis of co-aligned X-ray images, maps of sites of transition region explosive events observed in C IV 10(exp 5), HRTS 1600 A spectroheliograms of the T(sub min) region, and ground-based magnetogram and He I 10830 A images. We examined the relationship of He I 10830 A dark features and evolving magnetic features which correspond to XBPs. We note a frequent double ribbon pattern of the He I dark feature counterparts to XBPs. We discuss an analysis of the relationship of XBPs to evolving magnetic features by Webb et al., which shows that converging magnetic features of opposite polarity are the most significant magnetic field counterparts to XBPs. The magnetic bipolar features associated with XBPs appear as prominent network elements in chromospheric and transition region images. The features in C IV observations corresponding to XBP sites are in general bright, larger scale (approximately 10 arcsec) regions of complex velocity fields of order 40 km/s, which is typical of brighter C IV network elements. These C IV features do not reach the approximately 100 km/s velocities seen in the C IV explosive events. Also, there are many similar C IV bright network features without a corresponding XBP in the X-ray image. The transition region explosive events do not correspond directly to XBPs. The explosive events appear to be concentrated in the quiet Sun at the edges of strong network, or within weaker field strength network regions. We find a greater number of C IV events than expected from the results of a previous Spacelab 2 HRTS disk survey. We attribute this at least partly to better spatial resolution with the newer HRTS data. The full-disk X-ray image shows a pattern of dark lanes in quiet Sun areas. The number density of C IV events is twice as large inside as outside a dark lane (4.6 x 10(exp -3) vs. 2.3 x 10(exp -3) explosive events per arcsec (exp 2)). The dark lane corresponds to an old decaying magnetic neutral line. We suggest that this provides an increased opportunity for small-scale convergence and reconnection of opposite polarity magnetic field features, in analogy with the results of Webb et al. for XBPs but at a reduced scale of reconnection.

Moses, Dan↗
DOE OSTI2024

Search for long-lived heavy neutral leptons decaying in the CMS muon detectors in proton-proton collisions at s = 13 TeV

A search for heavy neutral leptons (HNLs) decaying in the CMS muon system is presented. A data sample is used corresponding to an integrated luminosity of 138 fb - 1 of proton-proton collisions at s = 13 TeV , recorded at the CERN LHC in 2016–2018. Decay products of long-lived HNLs could interact with the shielding materials in the CMS muon system and create hadronic and electromagnetic showers detected in the muon chambers. This distinctive signature provides a unique handle to search for HNLs with masses below 4 GeV and proper decay lengths of the order of meters. The signature is sensitive to HNL couplings to all three generations of leptons. Candidate events are required to contain a prompt electron or muon originating from a vertex on the beam axis and a displaced shower in the muon chambers. No significant deviations from the standard model background expectation are observed. In the electron (muon) channel, the most stringent limits to date are set for HNLs in the mass range of 2.1–3.0 (1.9–3.3) GeV, reaching mixing matrix element squared values as low as 8.6 ( 4.6 ) × 10 - 6 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1995

Grains in ionized nebulae: Spectral line diagnostics

The depletion of condensable elements onto grains in gaseous nebulae can provide evidence that dust is well mixed with the ionized gas. Al and CA are two of the most depleted elements in the general interstellar medium, and it is therefore important to measure their abundances within the ionized region of nebulae. We compute a large grid of photoionization models and identify sets of line ratios which are relatively insensitive to stellar and nebular parameters, and are thus excellent diagnostics for determining relative abundances. Based on the absence of the ((Ca II) lambda lambda 291, 7324 doublet and the detection of Al II) lambda lambda 2660, 2669 in the ultraviolet, we determine the extent of aluminum and calcium depletion onto grains in NGC 7027 and the Orion Nebula. Our results show a approximately 0.3 dex depletion for Al, but a depletion of more than two and a half orders of magnitude for Ca. A similar calculation based on Mg II lambda 2798 yields roughly a 0.8 dex depletion for Mg. This reaffirms the discrepancy between depletion determined from high and low ionization Mg lines. We also find evidence for a 'depletion gradient' in Ca in NGC 7027, since the calcium depletion we infer for the outer, more neutral regions using (Ca II) is somewhat higher than that inferred for the inner high-ionization region, using (Ca v). This gradient can test current models of the survival of grains within hot ionized gas.

Kingdon, J.↗
DOE OSTI2024

Cobalt‐Doped Bismuth Nanosheet Catalyst for Enhanced Electrochemical CO 2 Reduction to Electrolyte‐Free Formic Acid

Electrochemical carbon dioxide (CO 2 ) reduction reaction (CO 2 RR) to valuable liquid fuels, such as formic acid/formate (HCOOH/HCOO − ) is a promising strategy for carbon neutrality. Enhancing CO 2 RR activity while retaining high selectivity is critical for commercialization. To address this, we developed metal-doped bismuth (Bi) nanosheets via a facile hydrolysis method. These doped nanosheets efficiently generated high-purity HCOOH using a porous solid electrolyte (PSE) layer. Among the evaluated metal-doped Bi catalysts, Co-doped Bi demonstrated improved CO 2 RR performance compared to pristine Bi, achieving ~90 % HCOO − selectivity and boosted activity with a low overpotential of ~1.0 V at a current density of 200 mA cm −2 . In a solid electrolyte reactor, Co-doped Bi maintained HCOOH Faradaic efficiency of ~72 % after a 100-hour operation under a current density of 100 mA cm −2 , generating 0.1 M HCOOH at 3.2 V. Density functional theory (DFT) results revealed that Co-doped Bi required a lower applied potential for HCOOH generation from CO 2 , due to stronger binding energy to the key intermediates OCHO* compared to pure Bi. In conclusion, this study shows that metal doping in Bi nanosheets modifies the chemical composition, element distribution, and morphology, improving CO 2 RR catalytic activity performance by tuning surface adsorption affinity and reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

First Observations from the SPICE EUV Spectrometer on Solar Orbiter

Aims. We present first science observations taken during the commissioning activities of the Spectral Imaging of the Coronal Environment (SPICE) instrument on the ESA/NASA Solar Orbiter mission. SPICE is a high-resolution imaging spectrometer operating at extreme ultraviolet (EUV) wavelengths. In this paper we illustrate the possible types of observations to give prospective users a better understanding of the science capabilities of SPICE. Methods. We have reviewed the data obtained by SPICE between April and June 2020 and selected representative results obtained with different slits and a range of exposure times between 5 s and 180 s. Standard instrumental corrections have been applied to the raw data. Results. The paper discusses the first observations of the Sun on different targets and presents an example of the full spectra from the quiet Sun, identifying over 40 spectral lines from neutral hydrogen and ions of carbon, oxygen, nitrogen, neon, sulphur, magnesium, and iron. These lines cover the temperature range between 20,000 K and 1 million K (10MK in flares), providing slices of the Sun’s atmosphere in narrow temperature intervals. We provide a list of count rates for the 23 brightest spectral lines. We show examples of raster images of the quiet Sun in several strong transition region lines, where we have found unusually bright, compact structures in the quiet Sun network, with extreme intensities up to 25 times greater than the average intensity across the image. The lifetimes of these structures can exceed 2.5 hours. We identify them as a transition region signature of coronal bright points and compare their areas and intensity enhancements. We also show the first above-limb measurements with SPICE above the polar limb in C III,O VI, and Ne VIII lines, and far off limb measurements in the equatorial plane in Mg IX, Ne VIII, and O VI lines. We discuss the potential to use abundance diagnostics methods to study the variability of the elemental composition that can be compared with in situ measurements to help confirm the magnetic connection between the spacecraft location and the Sun’s surface, and locate the sources of the solar wind. Conclusions. The SPICE instrument successfully performs measurements of EUV spectra and raster images that will make vital contributions to the scientific success of the Solar Orbiter mission

Sun: UV radiation↗
DOE OSTI2024

Modeling separation of lanthanides via heterogeneous ligand binding

Individual lanthanide elements have physical/electronic/magnetic properties that make each useful for specific applications. Several of the lanthanides cations (Ln 3+ ) naturally occur together in the same ores. They are notoriously difficult to separate from each other due to their chemical similarity. Predicting the Ln 3+ differential binding energies (ΔΔE) or free energies (ΔΔG) at different binding sites, which are key figures of merit for separation applications, will help design of materials with lanthanide selectivity. We apply ab initio molecular dynamics (AIMD) simulations and density functional theory (DFT) to calculate ΔΔG for Ln 3+ coordinated to ligands in water and embedded in metal–organic frameworks (MOFs), and ΔΔE for Ln 3+ bonded to functionalized silica surfaces, thus circumventing the need for the computational costly absolute binding (free) energies ΔG and ΔE. Perturbative AIMD simulations of water-inundated simulation cells are applied to examine the selectivity of ligands towards adjacent Ln 3+ in the periodic table. Static DFT calculations with a full Ln 3+ first coordination shell, while less rigorous, show that all ligands examined with net negative charges are more selective towards the heavier lanthanides than a charge-neutral coordination shell made up of water molecules. Amine groups are predicted to be poor ligands for lanthanide-binding. Finally, we also address cooperative ion binding, i.e., using different ligands in concert to enhance lanthanide selectivity.

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

Rapid Crystallization of Zeolites with Controllable Defects: Disentangling Fluoride Concentration and pH Using NH 4 F

Zeolite synthesis is typically conducted either under basic conditions or in neutral fluoride media using hydrofluoric acid (HF). While basic (OH − ) conditions generally result in faster zeolite crystallization, they can also increase the likelihood of framework defects and crystal intergrowths. In contrast, synthesis in neutral fluoride media tends to produce fewer defects because fluoride balances positive charges from structure-directing agents. However, this method often requires significantly longer crystallization times and involves the handling of dangerous HF. In the present study, we pursue the best of both synthesis conditions, rapid syntheses with controllable defect concentrations, by disentangling of mineralizing agent and chargebalancing agent using ammonium fluoride (NH 4 F) as an alternative to HF. We have investigated the use of NH 4 F in the syntheses of siliceous and aluminum-containing zeolite A (LTA, small pore), ZSM-5 (MFI, medium pore), and siliceous Beta(*BEA, large pore). The crystallization times of all four zeolites decreased substantially with an increasing NH 4 F concentration. Crystallization times were reduced from 24 to 4 h (Si-LTA), 96 to 36 h (Al-LTA), 240 to 6 h (ZSM-5), and 24 to 3 h (Si-*BEA). Additionally, increasing the NH 4 F concentration in the synthesis mixtures decreases the defect densities of siliceous zeolites. Raman spectroscopy, along with 29 Si MAS NMR, 19 F MAS NMR, 13 C MAS NMR, and fluorine elemental analysis of Si-LTA samples confirms that the reduction in charged defects (Si−O − ) is due to the higher incorporation of F − within the double four-membered ring (D4R) present in the LTA samples. We show that the accelerated crystallization is due to the role of F − in enhancing the silica mineralization rate (formation of silicon hexafluoride species) and stabilizing D4Rs under basic conditions. As a result, combining basic and fluoride-mediated synthesis could therefore be advantageous for faster zeolite production and improved control over structural properties for a wide variety of zeolite structures.

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