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At least 811 records · Page 45

All sources NASA NTRS DOE OSTI

NASA NTRS2018

A Laser-Induced Fluorescence Diagnostic for HERMeS and High-Power Electric Propulsion

NASA is continuing the development of a 12.5-kW Hall thruster system, which is baselined in a phased exploration concept to expand human presence to cis-lunar space and eventually to Mars. The development team is transitioning knowledge gained from the testing of the government-built Technology Development Unit (TDU) to the contractor-built Engineering Development Unit (EDU). A new laser-induced fluorescence diagnostic that is compatible with the testing of engineering hardware was developed to obtain data for thruster model validation in the lowest background pressure achievable. Prior to performing the test on the EDU, the team performed a functional checkout test of this new diagnostic using the TDU. In addition to providing a checkout of the diagnostic, this test provided data that can be correlated to electron mobility for comparison to the EDU at a later date. A number of technical challenges related to large test facilities and interfacing with engineering hardware were overcome while implementing the new laser diagnostic system. The initial data set was in good agreement with prior optical and non-optical diagnostics data collected on the TDU thrusters. This data set also revealed the spatial origin of high angle ions that have been of concern for spacecraft integration.

Huang, Wensheng↗

NASA NTRS2018

A Laser-Induced Fluorescence Diagnostic for HERMeS and High-Power Electric Propulsion

Huang, Wensheng↗

DOE OSTI2026

Surface Water Quality Data from Beaver-Impacted Streams; Trail Creek and East River, Colorado 2025

This data package contains surface water chemistry measurements collected in 2025 to evaluate how beaver damming and low-tech process-based stream restoration influence water quality and metal mobility in mountainous headwater systems of the Upper Colorado River Basin. Sampling was conducted at Trail Creek (Taylor Park watershed, Colorado), a tributary undergoing restoration through installation of low-tech process-based structures (i.e., beaver dam analogs), and at off-channel beaver ponds within the East River floodplain (East River watershed, Colorado). Samples were collected along longitudinal transects spanning upstream control reaches, beaver-influenced ponded reaches, and downstream segments. Additional samples were collected from near-surface pore waters within a beaver dam seepage face. The dataset includes concentrations of major and trace elements measured by inductively coupled plasma–mass spectrometry (ICP-MS) and inductively coupled plasma–optical emission spectrometry (ICP-OES), major anions measured by ion chromatography (IC), and dissolved organic carbon (DOC; reported as non-purgeable organic carbon, NPOC). Samples were size-fractionated at 0.45 micrometers (µm), 0.22 µm, and 0.02 µm to distinguish particulate (>0.45 µm), colloidal (0.22–0.02 µm), and dissolved (<0.02 µm) fractions. The data package consists of comma-separated value (.csv) files containing tabulated chemical concentration data, sample metadata (site identifiers, geographic coordinates, sampling dates, fraction type), and quality control flags. All files are provided in open, non-proprietary formats that can be accessed using standard data analysis software such as Microsoft Excel, R, Python, MATLAB, or other programs capable of reading .csv files. Units, detection limits, and analytical methods are documented in accompanying metadata files. The dataset is designed to support analyses of (1) how beaver impoundment and restoration structures alter elemental partitioning and transport, (2) the role of iron and organic carbon in mediating trace metal mobility, and (3) reach-scale changes in water quality across restoration gradients. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. Part of this work was performed at SLAC Accelerator Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-76SF00515.

Anions↗

NASA NTRS2009

Stirling Convertor Control for a Concept Rover at NASA Glenn Research Center

The U.S. Department of Energy (DOE), Lockheed Martin Space Systems Company (LMSSC), Sunpower Inc., and NASA Glenn Research Center (GRC) have been developing an Advanced Stirling Radioisotope Generator (ASRG) for potential use as an electric power system for space science missions. This generator would make use of the free-piston Stirling cycle to achieve higher conversion efficiency than currently used alternatives. NASA GRC initiated an experiment with an ASRG simulator to demonstrate the functionality of a Stirling convertor on a mobile application, such as a rover. The ASRG simulator made use of two Advanced Stirling Convertors to convert thermal energy from a heat source to electricity. The ASRG simulator was designed to incorporate a minimum amount of support equipment, allowing integration onto a rover powered directly by the convertors. Support equipment to provide control was designed including a linear AC regulator controller, constant power controller, and Li-ion battery charger controller. The ASRG simulator is controlled by a linear AC regulator controller. The rover is powered by both a Stirling convertor and Li-ion batteries. A constant power controller enables the Stirling convertor to maintain a constant power output when additional power is supplied by the Li-ion batteries. A Li-ion battery charger controller limits the charging current and cut off current of the batteries. This paper discusses the design, fabrication, and implementation of these three controllers.

Blaze-Dugala, Gina M.↗

DOE OSTI2020

Pyrolysis of Radioactive Spent Resins in the PRIME Installation - 20190

Montair and Belgoprocess developed the pilot PRIME (Pyrolysis Resins In Mobile Electric) Installation for treatment of spent resins in one single reactor without pre-treatment and without intermixing of other waste, allowing for easy traceability and isotopic characterization of the end product. Both low level waste (LLW, < 2 mSv/h) and medium level waste (MLW, > 2 mSv/h) can be treated in the installation. The PRIME pilot installation is designed to treat 2 batches of 100 liter of saturated ion exchange resins over a period of 24 hours. A dosing unit with screw feeder is used for the dosing of the saturated ion exchange resins to the pyrolysis reactor. This completely new developed innovative pyrolysis reactor contains a special design mechanical stirrer and can operate at a temperature of up to 600 deg. C under inert conditions. As a result, the organic molecules will decompose at an accelerated rate until only the mineralized material remains. The lower temperature and the absence of oxygen also prevent the breakdown of ion exchange resins into (powdery) ash, which is a considerable advantage during further handling. Gases that are released during drying and pyrolysis are treated in an also newly developed thermal oxidizer, which uses an innovative, electrically heated design instead of a traditional natural gas- or fuel oil secondary combustion chamber design. After passing through the thermal oxidizer, the gases are cooled down to saturation temperature and treated in the wet scrubbing system. An extraction fan keeps the system under negative pressure to prevent the possibility of any off-gas leakage out of the system. A series of tests were performed successfully with wet cationic resins, anionic resins and a mixture of both. The results of these tests are described in the presentation. For intellectual property protection, the system and process of pyrolysis of organic waste and the system of thermal oxidation of pyrolysis gases described in this paper are patent pending. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

An Unbalanced Battle in Excellence: Revealing Effect of Ni/Co Occupancy on Water Splitting and Oxygen Reduction Reactions in Triple–Conducting Oxides for Protonic Ceramic Electrochemical Cells

Porous electrodes that conduct electrons, protons, and oxygen ions with dramatically expanded catalytic active sites can replace conventional electrodes with sluggish kinetics in protonic ceramic electrochemical cells. In this work, a strategy is utilized to promote triple conduction by facilitating proton conduction in praseodymium cobaltite perovskite through engineering non-equivalent B-site Ni/Co occupancy. Surface infrared spectroscopy is used to study the dehydration behavior, which proves the existence of protons in the perovskite lattice. The proton mobility and proton stability are investigated by hydrogen/deuterium (H/D) isotope exchange and temperature-programmed desorption. It is observed that the increased nickel replacement on the B-site has a positive impact on proton defect stability, catalytic activity, and electrochemical performance. This doping strategy is demonstrated to be a promising pathway to increase catalytic activity toward the oxygen reduction and water splitting reactions. The chosen PrNi 0.7 Co 0.3 O 3–δ oxygen electrode demonstrates excellent full-cell performance with high electrolysis current density of –1.48 A cm –2 at 1.3 V and a peak fuel-cell power density of 0.95 W cm –2 at 600 °C and also enables lower-temperature operations down to 350 °C, and superior long-term durability.

08 HYDROGEN↗

DOE OSTI2023

Diffusion of Sn donors in β-Ga 2 O 3

Diffusion of the n-type dopant Sn in β-Ga 2 O 3 is studied using secondary-ion mass spectrometry combined with hybrid functional calculations. The diffusion of Sn from a Sn-doped bulk substrate with surface orientation (001) into an epitaxial layer is observed after heat treatments in the temperature range of 1050–1250 °C. Calculated formation energies of Sn-related and intrinsic defects show that the migration of Sn is mediated by Ga vacancies ( V Ga ) through the formation and dissociation of intermittent mobile V Ga Sn Ga complexes. The evolution of the Sn concentration vs depth profiles after heat treatments can be well described by a reaction–diffusion model. Using model parameters guided by the hybrid functional calculations, we extract a V Ga Sn Ga complex migration barrier of 3.0 ± 0.4 eV with a diffusion coefficient of 2 × 10 –1 cm 2 /s. The extracted migration barrier is consistent with our theoretical predictions using the nudged elastic band method, which shows migration barriers of 3.42, 3.15, and 3.37 eV for the [100], [010], and [001] directions, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2024

The solubility of La hydroxide and stability of La 3+ and La hydroxyl complexes at acidic to mildly acidic pH from 25 to 250 °C

The mobility of rare earth elements (REE) in natural hydrothermal systems can be assessed using geochemical modeling, which requires reliable thermodynamic data of relevant aqueous species. In this study, we evaluate the controls of pH and temperature on La speciation and the role of hydroxyl complexes in REE transport at hydrothermal conditions. Batch-type hydrothermal solubility experiments were conducted using synthetic La hydroxide powders equilibrated in perchloric acid-based aqueous solutions at temperatures between 150 and 250 °C and starting pH of 2 to 5. The La hydroxide solubility is retrograde with temperature and displays a strong pH dependence with a decrease in La concentrations from acidic to mildly acidic pH spanning between 3 and 5 orders of magnitude (e.g. log La molality of –2.5 to –7.2 at 250 °C). Thermodynamic optimizations using GEMSFITS allow to retrieve the standard partial molal Gibbs energies for the La 3+ aqua ion and the formation constants for the La hydroxyl species (i.e., LaOH 2+ , La(OH) 2 + , La(OH) 3 0 ) between 25 and 250 °C. A comparison between the experimentally derived thermodynamic properties with the calculated values from the Helgeson-Kirkham-Flowers equation of state parameters indicates an increased divergence with temperature. Discrepancies in standard partial molal Gibbs energies range between ~ 1 – 12 kJ/mol and result in a predicted La hydroxide solubility differing by up to 3 orders of magnitude at 250 °C. Speciation calculations indicate a higher stability of La 3+ and LaOH 2+ over the other La hydroxyl species in the studied pH range of 3.4 to 6. Here, the optimized thermodynamic properties for La aqueous species have important implications for modeling the solubility of REE minerals such as monazite and the mobility of REE in hydrothermal systems.

58 GEOSCIENCES↗

DOE OSTI2021

Uranium (VI) Adsorbate Structures on Portlandite [Ca(OH)2] Type Surfaces Determined by Computational Modelling and X-ray Absorption Spectroscopy

Portlandite [Ca(OH) 2 ] is a potentially dominant solid phase in the high pH fluids expected within the cementitious engineered barriers of Geological Disposal Facilities (GDF). This study combined X-ray Absorption Spectroscopy with computational modelling in order to provide atomic-scale data which improves our understanding of how a critically important radionuclide (U) will be adsorbed onto this phase under conditions relevant to a GDF environment. Such data are fundamental for predicting radionuclide mass transfer. Surface coordination chemistry and speciation of uranium with portlandite [Ca(OH) 2 ] under alkaline groundwater conditions (ca. pH 12) were determined by both in situ and ex situ grazing incidence extended X-ray absorption fine structure analysis (EXAFS) and by computational modelling at the atomic level. Free energies of sorption of aqueous uranyl hydroxides, [UO 2 (OH) n ] 2–n (n = 0–5) with the (001), (100) and (203) or (101) surfaces of portlandite are predicted from the potential of mean force using classical molecular umbrella sampling simulation methods and the structural interactions are further explored using fully periodic density functional theory computations. Although uranyl is predicted to only weakly adsorb to the (001) and (100) clean surfaces, there should be significantly stronger interactions with the (203/101) surface or at hydroxyl vacancies, both prevalent under groundwater conditions. The uranyl surface complex is typically found to include four equatorially coordinated hydroxyl ligands, forming an inner-sphere sorbate by direct interaction of a uranyl oxygen with surface calcium ions in both the (001) and (203/101) cases. In contrast, on the (100) surface, uranyl is sorbed with its axis more parallel to the surface plane. The EXAFS data are largely consistent with a surface structural layer or film similar to calcium uranate, but also show distinct uranyl characteristics, with the uranyl ion exhibiting the classic dioxygenyl oxygens at 1.8 Å and between four and five equatorial oxygen atoms at distances between 2.28 and 2.35 Å from the central U absorber. These experimental data are wholly consistent with the adsorbate configuration predicted by the computational models. These findings suggest that, under the strongly alkaline conditions of a cementitious backfill engineered barrier, there would be significant uptake of uranyl by portlandite to inhibit the mobility of U(VI) from the near field of a geological disposal facility.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Non-dilute helium-related defect interactions in the near-surface region of plasma-exposed tungsten

We report a systematic energetic analysis of helium-related defect interactions that mediate helium (He) segregation on surfaces of plasma-exposed tungsten at different levels of He ion implantation. We focus on high He fluences that increase the He content in the plasma-exposed material well beyond the dilute limit of He concentration and employ atomic configurations generated by large-scale molecular dynamics simulations of He-implanted tungsten. We perform systematic molecular statics computations of cluster– defect interaction energetics in the highly defect-rich near-surface region of plasma-exposed tungsten for small mobile helium clusters as a function of the cluster distance from the surface. In this region, mobile clusters are also subjected to the stress fields generated by defects such as helium bubbles and other clusters, which govern cluster–defect interactions in addition to the cluster–surface interaction. Based on systematic investigation of individual cluster–defect interactions, we develop a mathematical framework to describe the interaction energy landscapes consisting of elastic interaction potential perturbations to finite-width square-well potentials, where the potential well accounts for cluster trapping by the defect at close range and subsequent coalescence and the perturbation potential is parameterized according to elastic inclusion theory. Superposition of all the relevant interaction potentials provides a comprehensive description of the interaction energy landscape that would be experienced by a small mobile cluster along its migration path toward the plasma-exposed surface at high He fluence. Such descriptions are particularly important for developing atomistically-informed, hierarchical multi-scale models of helium cluster dynamics in plasma-facing materials.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Investigation of the growth of garnet films by liquid phase epitaxy

Liquid phase expitaxy was investigated to determine its applicability to fabricating magnetic rare earth garnet films for spacecraft data recording systems. Two mixed garnet systems were investigated in detail: (1) Gd-Y and (2) Eu-Yb-Y. All films were deposited on Gd3Ga5012 substrates. The uniaxial anisotropy of the Gd-Y garnets is primarily stress-induced. These garnets are characterized by high-domain wall mobility, low coercivity and modest anisotropy. Characteristic length was found to be relatively sensitive to temperature. The Eu-Yb-Y garnets exhibit acceptable mobilities, good temperature stability and reasonable quality factors. The uniaxial anisotropy of these garnets is primarily growth-induced. The system is well suited for compositional "tailoring" to optimize specific desirable properties. Liquid phase epitaxy can be used to deposit Gd3Ga5012 spacing layers on magnetic garnet films and this arrangement possesses certain advantages over more conventional magnetic filmspacing layer combinations. However, it cannot be used if the magnetic film is to be ion implanted.

Moody, J. W.↗

DOE OSTI2025

Symmetrization of Strong Hydrogen Bond under High Pressure in Bihydroxide-Ion-Containing NaCu 2 (SO 4 ) 2 ·H 3 O 2 Revealed by Experimental Charge Density, Single-Crystal Electron Diffraction, and Neutron Diffraction Studies

In minerals and inorganic compounds, strong hydrogen bonding can lead to the formation of complex ionic species such as the H 3 O 2 – bihydroxide anion and Zundel cation H 5 O 2 + . We studied [NaCu 2 (SO 4 ) 2 ·H 3 O 2 ] natrochalcite, which contains bihydroxide anions and undergoes hydrogen bond symmetrization at the lowest pressure reported so far among inorganic compounds. Hydrogen bond symmetrization leads to changes in the bulk modulus, seismic wave velocities, and proton mobility and plays a primary role in high-temperature superconductivity, but its characteristics are not well understood due to a lack of systematic studies and limitations of experimental methods sensitive to this subtle change. In this work, we applied experimental charge density analysis based on in situ single-crystal X-ray diffraction data, along with the single-crystal neutron and electron diffraction experiments, to probe the behavior of hydrogen atoms during the hydrogen bond symmetrization process under high-pressure conditions. On the way to the symmetrical H-bonding, natrochalcite undergoes a series of complex redistributions of electron density, which we trace with multipole refinement and detailed analysis of changes in the Laplacian of electron density values. Additionally, we deconvoluted the equation of state (volume of the unit cell vs pressure relation) into the atomic equation of states describing dependencies of atomic charges or volumes vs pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Precise Fermi level engineering in a topological Weyl semimetal via fast ion implantation

The precise controllability of the Fermi level is a critical aspect of quantum materials. For topological Weyl semimetals, there is a pressing need to fine-tune the Fermi level to the Weyl nodes and unlock exotic electronic and optoelectronic effects associated with the divergent Berry curvature. However, in contrast to two-dimensional materials, where the Fermi level can be controlled through various techniques, the situation for bulk crystals beyond laborious chemical doping poses significant challenges. Here, we report the milli-electron-volt (meV) level ultra-fine-tuning of the Fermi level of bulk topological Weyl semimetal tantalum phosphide using accelerator-based high-energy hydrogen implantation and theory-driven planning. By calculating the desired carrier density and controlling the accelerator profiles, the Fermi level can be experimentally fine-tuned from 5 meV below, to 3.8 meV below, to 3.2 meV above the Weyl nodes. High-resolution transmission electron microscopy reveals the crystalline structure is largely maintained under irradiation, while electrical transport indicates that Weyl nodes are preserved and carrier mobility is also largely retained. Our work demonstrates the viability of this generic approach to tune the Fermi level in semimetal systems and could serve to achieve property fine-tuning for other bulk quantum materials with ultrahigh precision.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Removal of iodine (I- and IO3-) from aqueous solutions using CoAl and NiAl layered double hydroxides

The treatment of radioactive iodine released from nuclear power plants and radiological waste disposal sites is of great concern due to its high mobility and toxicity. In particular, iodide (I-) and iodate (IO3-) are the major iodine species of concern under various pHs and groundwater conditions. Herein, CoAl and NiAl layered double hydroxides (LDHs) were synthesized by a hydrothermal method and investigated to identify the removal mechanisms and efficiencies of both I- and IO3-. Both CoAl and NiAl LDHs exhibited rapid iodine removal processes within 20 min, following the pseudo-second-order model via ion-exchange with parent NO3- anion in the LDHs. The CoAl LDH’s maximum sorption capacities for I- and IO3- were about 1.67 and 2.16 mmol g-1, respectively, whereas for the NiAl LDH, these were about 2.10 and 2.26 mmol g-1, and they followed the Langmuir isotherm model. Interestingly, both the CoAl and NiAl LDHs showed a preferential ion-exchange affinity for IO3- over I-, which was attributed to the structural similarity of the IO3- and NO3- as well as new formation of secondary Co(or Ni)(IO3)2·2H2O phases. In addition, a desorption study indicated that the selectivity order was SO42- = IO3- = OH- > HCO3- > Cl- > NO3- = I- and demonstrated the higher retention of the IO3- than I- anion. This study provides insights into promising iodine sorbents and the different removal mechanisms of I- and IO3- using CoAl and NiAl LDHs.

Kang, Jaehyuk↗

NASA NTRS1975

Ion-implanted epitaxially grown ZnSe

The use of ZnSe to obtain efficient, short wavelength injection luminescence was investigated. It was proposed that shorter wavelength emission and higher efficiency be achieved by employing a p-i-n diode structure rather than the normal p-n diode structure. The intervening i layer minimizes concentration quenching effects and the donor-acceptor pair states leading to long wavelength emission. The surface p layer was formed by ion implantation; implantation of the i layer rather than the n substrate permits higher, uncompensated p-type doping. An ion implanted p-n junction in ZnSe is efficiency-limited by high electron injection terminating in nonradiative recombination at the front surface, and by low hole injection resulting from the inability to obtain high conductivity p-type surface layers. While the injection ratio in p-n junctions was determined by the radio of majority carrier concentrations, the injection ratio in p-i-n structures was determined by the mobility ratios and/or space charge neutrality requirements in the i layer.

Chernow, F.↗

DOE OSTI2021

Guanidinium-Based Ionic Covalent-Organic Nanosheets for Sequestration of Cr(VI) and As(V) Oxoanions in Water

Chromium- and arsenic-based oxoanions are among the major highly toxic and carcinogenic inorganic pollutants present in groundwater, demanding fast and selective sequestration. Efficient capturing and removal of these highly mobile oxometallates at neutral pH presents a great challenge in groundwater cleanup. In this report, a series of guanidinium-based ionic organic covalent nanosheets (iCONs) with varying hydrogen bonding, steric, and electronic properties was studied to examine the structure–activity relationship in the adsorption and removal of chromium- and arsenic-based oxoanions in water. Structural modulations in iCONs were found to alter the guanidinium acidity, thus regulating the oxoanion uptake limits via ion exchange. The hydrogen bonding, steric, and electrostatic interactions at/near the guanidinium-based anion binding site in iCONs exerted heavy influences on the uptake efficiency and selectivity of arsenate but not on those of chromate. Further analyses revealed that the parallel bidentate hydrogen bonding interactions play a key role in the weak binding of arsenate to the protonated/positively charged guanidine motifs, whereas the strong ion–ion interactions between chromate and guanidinium appear to be more tolerant to the geometric and structural perturbation.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Water dynamics in pristine and porous Ti 3 C 2 T x MXene as probed by quasielastic neutron scattering

MXenes are a novel class of two-dimensional (2D) materials whose applications in energy-storage systems have attracted substantial attention. Still, the rate performance of these materials is often diminished by sheet restacking, which is attenuated via controlled etching in H 2 SO 4 solution. With this process, micropores are formed in MXene sheets that allow transport across 2D layers. As a result, the intercalation and diffusivity of ions are facilitated resulting in improved capacitance retention at high charge-discharge rates. In the present work, we used quasielastic neutron scattering to evaluate the potential changes in water dynamics as a consequence of this mechanism by assessing the behavior of weakly and strongly confined water populations in pristine and porous MXenes. First, we have found that the porous sample accommodates a noticeably higher content of both water populations. Additionally, the fraction of mobile molecules is higher either under strong or weak confinement. Interestingly, regardless of the abundance of weakly confined water in the porous sample, no considerable changes in the dynamical behavior were detected in comparison with the dynamics measured in the pristine material. Finally, for the strongly confined populations of water, our results show that water is able to permeate the micropores introduced by etching and perform unlocalized motions.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Aerodynamic Measurement Technology

Ohio State University developed a new spectrally filtered light-scattering apparatus based on a diode laser injected-locked titanium: sapphire laser and rubidium vapor filter at 780.2 nm. When the device was combined with a stimulated Brillouin scattering phase conjugate mirror, the realizable peak attenuation of elastic scattering interferences exceeded 105. The potential of the system was demonstrated by performing Thomson scattering measurements. Under USAF-NASA funding, West Virginia University developed a Doppler global velocimetry system using inexpensive 8-bit charged coupled device cameras and digitizers and a CW argon ion laser. It has demonstrated a precision of +/- 2.5 m/sec in a swirling jet flow. Low-noise silicon-micromachined microphones developed and incorporated in a novel two-tier, hybrid packaging scheme at the University of Florida used printed circuit board technology to realize a MEMS-based directional acoustic array. The array demonstrated excellent performance relative to conventional sensor technologies and provides scaling technologies that can reduce cost and increase speed and mobility.

Burner, Alpheus W.↗