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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evaluating Pretreatment Strategies with Modeling for Reducing Scaling Potential of Reverse Osmosis Concentrate: Insights from Ion Exchange and Activated Alumina

Reverse osmosis concentrate (ROC) treatment is critical for enhancing water recovery and minimizing concentrate volume for disposal, especially in regions facing water scarcity. This study investigates the application of ion exchange (IX) resins and activated alumina (AA) as pretreatment strategies to mitigate scaling in ROC due to high concentrations of total dissolved solids, hardness (Ca 2+ and Mg 2+ ), and silica. Through a series of Langmuir isotherms, continuous column experiments, and model simulation, two types of strong acid cation IX resins and three types of strong base anion IX resins alongside three types of AA were evaluated. Results indicate that AA exhibits superior performance in silica removal, achieving up to a 65% reduction and maintaining performance for up to 800 bed volume without reaching saturation. Model simulation of a secondary reverse osmosis treating ROC after the IX and AA pretreatment indicated an additional water recovery of ~70% using antiscalants. This study demonstrates the potential for achieving higher water recovery while also identifying opportunities for pretreatment improvement. Challenges such as the limited IX capacity treating ROC, which requires frequent regeneration and increases operational costs, along with the restricted regeneration capacity of AA, underscore the importance of innovation. These findings emphasize the critical need for developing advanced materials and optimized strategies to further enhance the efficiency of ROC treatment processes.

activated alumina↗
DOE OSTI2020

Review of Experimental Decontamination Factors (DF) of Iodine in the Pilot-Scale Law Melter Off-Gas Systems

The Low Activity Waste (LAW) melters at the Hanford Tank Waste Treatment and Immobilization Plant (WTP) will convert low-activity tank wastes containing high concentrations of sodium salts into glass for onsite disposal. Much of the airborne particulates during the calcination/fusion of the feed solids will be removed by condensation and scrubbing of the melter exhaust in the Submerged Bed Scrubber (SBS) and Wet Electrostatic Precipitator (WESP)of the primary off-gas treatment system. The gases exiting the WESP enter a secondary off-gas treatment system, which includes a High-Efficiency Particulate Air (HEPA) filter, an activated carbon absorber, a Thermal Catalytic Oxidizer (TCO), a Selective Catalytic Reduction (SCR) unit, a caustic scrubber, and an exhauster. Much of the volatile organics and NOx will be removed in the TCO and SCR, respectively. Under WTP Direct Feed LAW (DFLAW) configuration, the liquid effluents from the SBS and WESP will be collected and evaporated under vacuum with the evaporator concentrate recycled back to the LAW melter, while the evaporator condensate will be merged with the caustic scrubber solution and sent to the Effluent Treatment Facility (ETF).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Targeting the Y-box Binding Protein-1 Axis to Overcome Radiochemotherapy Resistance in Solid Tumors

Multifunctional Y-box binding protein-1 (YB-1) is highly expressed in different human solid tumors and is involved in various cellular processes. DNA damage is the major mechanism by which radiochemotherapy (RCT) induces cell death. On induction of DNA damage, a multicomponent signal transduction network, known as the DNA damage response, is activated to induce cell cycle arrest and initiate DNA repair, which protects cells against damage. YB-1 regulates nearly all cancer hallmarks described to date by participating in DNA damage response, gene transcription, mRNA splicing, translation, and tumor stemness. YB-1 lacks kinase activity, and p90 ribosomal S6 kinase and AKT are the key kinases within the RAS/mitogen-activated protein kinase and phosphoinositide 3-kinase pathways that directly activate YB-1. Thus, the molecular targeting of ribosomal S6 kinase and AKT is thought to be the most effective strategy for blocking the cellular function of YB-1 in human solid tumors. In this review, after describing the prosurvival effect of YB-1 with a focus on DNA damage repair and cancer cell stemness, clinical evidence will be provided indicating an inverse correlation between YB-1 expression and the treatment outcome of solid tumors after RCT. In the interest of being concise, YB-1 signaling cascades will be briefly discussed and the current literature on YB-1 posttranslational modifications will be summarized. Finally, the current status of targeting the YB-1 axis, especially in combination with RCT, will be highlighted.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2023

2021-2022 Long-Term Groundwater Monitoring Report Industrial Area Kennedy Space Center, Florida

This report presents the groundwater sampling results from the National Aeronautics and Space Administration (NASA) Industrial Area (IA) 2021-2022 Long-Term Monitoring (LTM) activities and results of the 2023 DPT activities at three of the sites. The NASA IA LTM Program includes the following 14 sites: - Ransom Road Landfill (RRLF) – Solid Waste Management Unit (SWMU) 003 - Orsino Storage Yard (ORSY) – SWMU 004 - Building M7-0505 Treatment Tank Area (M505) – SWMU 039 - Hypergol Maintenance Facility Hazardous Waste South Staging Area (HMF South) – SWMU 070 - Operations and Checkout Building (O&C) – SWMU 076 - Vertical Processing Facility (VPF) – SWMU 077 - Environmental Health Facility (EHF) – SWMU 079 - Kennedy Athletic, Recreation, and Social Park 1 (KARS Park 1) – SWMU 084 - Engineering Development Laboratory (EDL) – SWMU 085 - Launch Equipment Test Facility (LETF) – SWMU 091 - Mobil Service Station (MOBIL) – SWMU 093 - General Services Administration Seized Property (GSSP) – SWMU 095 - Space Station Processing Facility (SSPF) – SWMU 098 - Fuel Storage Area #1 Underground Storage Tank (UST) [Building 1044] (FSA1) – Potential Release Location (PRL) 157 Groundwater levels were gauged at each site during the 2021 and 2022 LTM field activities. Sampling events for the IA LTM Program are conducted seasonally during the dry and wet seasons, which occur in May and November, respectively. The sites in the NASA IA LTM Program are sampled on annual, biennial, or 5-year sampling frequencies based on historical trends. Due to contract transitions and monitoring well installations, 2021 dry season activities were conducted during September 2021, while dry season activities for 2022 resumed in May 2022.

groundwater↗
DOE OSTI2022

Activator-doped Hg 2 Br 2 as next generation high performance scintillator for high energy physics research and other scientific and imaging applications

Existing COTS inorganic scintillators all have the characteristic of being very good at certain desirable properties, but not sufficient at other desirable properties for HEP. The demand for suitable scintillators (with regards to both scintillation detector properties and suitable pricing), to be used for modern intensities frontier (Mu2e-II), energy frontier (High luminosity large hadron collider) and future e+e- collider projects (aimed as Higgs bosons factory, such as the International Linear Collider (ILC) and the Future Circular Collider (FCC) are putting even higher challenges on crystal scintillators.In this work, we report the development of a novel high-performance scintillators that can address the issues associated with existing scintillators, the activator doped Hg2Br2. Initial results are very encouraging on the detection of gamma and alpha particles using a solid-state photomultiplier (SSPM). The responses have been stable and repeatable. Hg2Br2 also has many advantages over existing COTS scintillators such as: high density, bright, fast, good energy resolution, no intrinsic radiation, radiation hard and cost-effectiveness. Here, we present here why Hg2Br2 is the next generation scintillator for high energy physics experiments as well as other scientific and imaging applications such as planetary science and medical imaging.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Surface activation of air oxidation of hydrazine on kaolinite. 2. Consideration of oxidizing/reducing entities in relationship to other compositional, structural, and energetic factors

The rates (previously reported) for the air oxidation of hydrazine on kaolinite and substituent oxides of kaolinite showed a complex dependence on the relative amounts of several structural oxidizing/reducing entities within the reaction-promoting solids. The rates indicated an important role of the clay but no dominant role of any one of the oxidizing/reducing entities. In this paper we review (a) the reaction-promoting activity of these centers as studied in other systems, (b) various spectroscopic results showing interaction between these entities in clays, and (c) reported spectroscopic studies of the complexation between hydrazine and aluminosilicate surfaces as a whole, in an effort to propose a mechanism for the reaction. Whereas some uncertainties remain, the present synthesis concludes that a mechanism operating through single electron/hole transfers and hydrogen atom transfers by discrete centers is adequate to explain the observed rate behaviors including the observed second order dependence of the oxidation rate on catalyst amount. The effects of these operations on the catalyst can result in no alteration of, or complete or partial electronic relaxation of its contingent of trapped separated charge pairs. The degree to which surface complexation as a whole, intercalation, or luminescent processes may also be associated with the reaction cannot be adequately assessed with the information in hand.

NASA Program Exobiology↗
DOE OSTI2022

High‐Field NMR, Reactivity, and DFT Modeling Reveal the γ‐Al 2 O 3 Surface Hydroxyl Network**

Abstract Aluminas are strategic materials used in many major industrial processes, either as catalyst supports or as catalysts in their own right. The transition alumina γ‐Al 2 O 3 is a privileged support, whose reactivity can be tuned by thermal activation. This study provides a qualitative and quantitative assessment of the hydroxyl groups present on the surface of γ‐Al 2 O 3 at three different dehydroxylation temperatures. The principal [AlOH] configurations are identified and described in unprecedented detail at the molecular level. The structures were established by combining information from high‐field 1 H and 27 Al solid‐state NMR, IR spectroscopy and DFT calculations, as well as selective reactivity studies. Finally, the relationship between the hydroxyl structures and the molecular‐level structures of the active sites in catalytic alkane metathesis is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

First-principles study of CaB 12 H 12 as a potential solid-state conductor for Ca

Calcium dodecahydro-closo-dodecaborate, CaB 12 H 12 , was calculated to have a percolating Ca migration path with low activation barrier (650 meV). The formation of Ca vacancies required for diffusion was calculated to be thermodynamically feasible by substitution of Ca with Al, Bi, or a number of trivalent rare-earth cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials

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

Silicon Nitride Surface Enabled Propane Dehydrogenation Catalyzed by Supported Organozirconium

Mesoporous silicon nitride (Si 3 N 4 ) is a nontraditional support for the chemisorption of organometallic complexes with the potential for enhancing catalytic activity through features such as the increased Lewis basicity of nitrogen for heterolytic bond activation, increased ligand donor strength, and metal–ligand orbital overlap. In this report tetrabenzyl zirconium (ZrBn 4 ) was chemisorbed on Si 3 N 4 , and the resulting supported organometallic species was characterized by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS), Dynamic Nuclear Polarization-enhanced Solid State Nuclear Magnetic Resonance (DNP-SSNMR), and X-ray Absorption Spectroscopy (XAS). Based on the hypothesis that the nitride might enable facile heterolytic C–H bond activation along the Zr–N bond, this material was found to be a highly active (1.53 mol propene mol Zr –1 h –1 at 450 °C) and selective (99% to propylene) catalyst for propane dehydrogenation. In contrast, the homologous silica supported complex exhibited negligible activity under these conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Laser-based firing systems for prompt initiation of secondary explosives

Motivated by issues of weapon safety and security, laser based firing systems for promptly initiating secondary explosives have been under active development at Sandia National Laboratories for more than four years. Such a firing system consists of miniaturized, Q-switched, solid-state laser, optical detonators, optical safety switches, and elements for splitting, coupling, and transmitting the laser output. Potential system applications pose significant challenges in terms of server mechanical and thermal environments and packaging constraints, while requiring clear demonstration of safety enhancements. The Direct Optical Initiation (DOI) Program at Sandia is addressing these challenges through progress development phases during which the design, fabrication, and testing of prototype hardware is aimed at more difficult application requirements. A brief history of the development program, and a summary of current and planned activities, will be presented.

Meeks, Kent D.↗
NASA NTRS2011

Active Neutron and Gamma-Ray Instrumentation for In Situ Planetary Science Applications

We describe the development of an instrument capable of detailed in situ bulk geochemical analysis of the surface of planets, moons, asteroids, and comets. This instrument technology uses a pulsed neutron generator to excite the solid materials of a planet and measures the resulting neutron and gamma-ray emission with its detector system. These time-resolved neutron and gamma-ray data provide detailed information about the bulk elemental composition, chemical context, and density distribution of the soil within 50 cm of the surface. While active neutron scattering and neutron-induced gamma-ray techniques have been used extensively for terrestrial nuclear well logging applications, our goal is to apply these techniques to surface instruments for use on any solid solar system body. As described, experiments at NASA Goddard Space Flight Center use a prototype neutron-induced gamma-ray instrument and the resulting data presented show the promise of this technique for becoming a versatile, robust, workhorse technology for planetary science, and exploration of any of the solid bodies in the solar system. The detection of neutrons at the surface also provides useful information about the material. This paper focuses on the data provided by the gamma-ray detector.

Parsons, A.↗
DOE OSTI2025

Cycling Performance and Structure Evolution of Co-Free Lithium- and Manganese-Rich Layered Oxides in Lithium-Ion Batteries

Lithium- and manganese-rich (LMR) layered oxides are high-capacity cathode materials that are being considered for electric vehicle (EV) lithium-ion batteries (LIBs). Here, we investigate the electrochemical cycling behavior of cells containing a cobalt-free LMR oxide, 0.3Li 2 MnO 3 ·0.7LiMn 0.5 Ni 0.5 O 2 , paired with either Li or graphite anodes. Two- and three-electrode cells are cycled under varying conditions to examine the effects of oxide activation, upper cutoff voltage, separator type, and electrolyte composition. Post-cycling characterization of harvested electrodes, with electrochemical, X-ray absorption spectroscopy, and solid-state 6 Li nuclear magnetic resonance spectroscopy techniques, are used to correlate cell performance changes with redox state evolution in the oxide and Li inventory shifts in the cell. Our results show that capacity fade and impedance rise primarily originate at the graphite anode and LMR cathode, respectively. Notably, while Ni undergoes reversible redox, Mn shows no evidence of bulk redox activity even in highly-aged electrodes: only relithiated LMR electrodes show some reduction of Mn. Graphite electrodes degrade due to particle isolation and SEI growth, exacerbated by Mn dissolution and deposition on graphite anodes. These findings highlight the coupled structural and electrochemical degradation mechanisms in LMR/graphite cells and underscore lithium inventory retention and electrode interfacial stability as critical factors for enhancing long-term performance.

Badami, Pavan P. [Argonne National Laboratory (ANL↗
DOE OSTI2022

LiNi 0.8 Fe 0.1 Al 0.1 O 2 as a Cobalt-Free Cathode Material with High Capacity and High Capability for Lithium-Ion Batteries

Obtaining cathode materials with high capacity and cycle stability is one of the main challenges regarding the success of electric vehicle technologies. However, most of the widely used materials with these properties involve the use of toxic and expensive cobalt as the active material. To overcome this challenge, this work proposes a novel cobalt-free cathode material, synthesized for the first time using a solid-state reaction, whose general formula is LiNi 0.8 Fe 0.1 Al 0.1 O 2 (NFA). This class of materials offers high capacity and reduces the battery costs by removing cobalt, without jeopardizing the structural stability and safety of the NFAs. The morphology and the structural properties of the obtained NFA cathode material were characterized using different techniques, e.g., scanning electronic microscopy, X-ray diffraction, X-ray fluorescence, and infrared and Raman spectroscopies. The electrochemical activity and diffusivity of the Li-ion during lithium removal and its insertion into the bulk of the NFA cathode demonstrated high-yield specific capacities of ≈180 mAh g –1 at 0.1C, along with a reasonable rate capability and cycling stability, with a capacity retention of ≈99.6% after 100 charge/discharge cycles at a rate of C/2, and whose operando X-ray diffraction experiments have been used to study the crystallographic transitions during the lithiation–delithiation reaction.

25 ENERGY STORAGE↗
DOE OSTI2020

High-Entropy Metal Sulfide Nanoparticles Promise High-Performance Oxygen Evolution Reaction

Transition metal sulfide with a multi-elemental nature represents a class of promising catalysts for oxygen evolution reaction (OER) owing to its good catalytic activity. However, its synthesis remains a grand challenge due to the thermodynamic immiscibility of the constituent multimetallic elements in a sulfide structure. Herein, we for the first time report a high-entropy metal sulfide (HEMS, i.e., (CrMnFeCoNi)Sx) solid solution nanoparticles. Computational and X-ray photoelectron spectroscopy analysis suggest that the (CrMnFeCoNi)S x exhibits a synergistic effect among metal atoms that leads to desired electronic states to enhance OER activity. The (CrMnFeCoNi)Sx nanoparticles showed one of the best activities (low overpotential 295 mV at 100 mA cm -2 in 1 M KOH solution) and good durability (only slight polarization after 10 hours by chronopotentiometry) compared with the unary, binary, ternary, and quaternary sulfide counterparts. This work opens up a new synthesis paradigm for high-entropy compound nanoparticles for highly efficient electrocatalysis applications.

25 ENERGY STORAGE↗
DOE OSTI2025

CO 2 Oxidative Ethane Dehydrogenation on CeO 2 /SiO 2 ‐Supported NiFe 3 Catalysts

CO 2 -assisted oxidative dehydrogenation of ethane is a sustainable alternative to steam cracking for ethylene production. In this study, a series of CeO 2 on SiO 2 supported NiFe 3 catalysts were synthesized by incipient wetness impregnation and tested for oxidative dehydrogenation performance. The CeO 2 /SiO 2 supported catalysts with high weight loading of CeO 2 (50%–75%) provided higher activity than the lower CeO 2 (0%–25%) loaded catalysts (with ethylene production rates of 0.62–0.98 µmol/g cat /s and 0.19–0.3 µmol/g cat /s, respectively) while maintaining high ethylene selectivity (43%–45%). In contrast, the NiFe 3 supported on only CeO 2 also exhibited high activity (ethylene production rate of 0.71 µmol/g cat /s), but the ethylene selectivity (16%) was greatly decreased compared to the mixed system. Temperature programmed reduction, X-ray diffraction, and Raman spectroscopy all indicate the creation of a solid solution of the Fe and Ni doped into the CeO 2 crystal structure in the catalysts with high CeO 2 loading/bulk CeO 2 support. Here, the high ethylene selectivity in the high CeO 2 loading catalysts indicates that the Fe is preferentially creating the solid solution, with the decrease in selectivity observed in the CeO 2 -only supported catalyst likely resulting from CeO 2 interacting directly with Ni, creating Ni-CeO X interfaces that are known active sites for the unwanted side reaction of dry reforming.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1951

Resolution of annealing experiments for the study of nonequilibrium states

The two techniques for conducting annealing experiments for the purpose of determining the distribution of atoms of a solid among non equilibrium states are considered. Related definitions for resolving power for annealing with steadily rising temperature and for annealing at a series of fixed temperatures are given. The necessary separation of activation energies for the resolution of two different non equilibrium states is found to be greater in the case of a steadily rising temperature, but of the order of 10 percent of the activation energy for both techniques. The resolving power in the case of a steadily rising temperature is independent of the rate of temperature rise.

SOLIDS↗