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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Treatment of Problematic Reactive Metal Wastes Using the GeoMelt{sup R} In-Container Vitrification (ICV{sup TM}) Process - 18639

Decommissioning of sodium cooled reactors and fast reactor technologies have generated a number of reactive metal waste configurations that are problematic to treat and typically lack cost effective treatment methods and disposition options. As a result, Veolia Nuclear Solutions, under contract with Idaho National Laboratory (owned by the U.S. Department of Energy and managed and operated by Battelle Energy Alliance, LLC) demonstrated its GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} technology to safely convert sodium metal to a non-reactive vitrified oxide form. The demonstration project, supported by glass formulation and crucible testing, consisted of a series of ICV{sup TM} melts that processed elemental sodium into stable non-reactive glass. Battelle Energy Alliance, LLC is evaluating the GeoMelt{sup R} technology as a means to safely and reliably convert radioactive reactive metal residues that contaminate components from sodium cooled reactors into waste forms that comply with existing disposition pathways. Reactive metal wastes at INL require treatment in order to remove the Resource Conservation and Recovery Act (RCRA) reactivity and ignitability characteristics in order to comply with land disposal restrictions. GeoMelt{sup R}, which is an alternative to other potential treatment approaches, provides a robust approach that chemically converts the reactive metals to an inert oxide while also immobilizing radionuclides in a vitrified waste form with durability equal to or better than vitrified nuclear fuel reprocessing wastes (very robust and inert waste forms). Most other treatment approaches generate hydrogen gas which is problematic. In 2016, Veolia Nuclear Solutions demonstrated the effectiveness of the GeoMelt{sup R} ICV{sup TM} process in deactivating reactive sodium metal. Crucible, bench-scale, and engineering-scale demonstrations were conducted on several surrogate waste configurations with various ratios of sodium metal and glassformers. Each ratio and configuration demonstrated complete deactivation of the surrogate sodium metal. Follow-on work in 2017 demonstrated the deactivation of reactive sodium by GeoMelt{sup R} ICV{sup TM} at a higher waste loading relative to previously demonstrated work performed in 2016. The higher waste loading optimized glass chemistry while enhancing the economical full-scale treatment of reactive metals. The GeoMelt{sup R} technology is a proven radioactive waste treatment technology capable of immobilizing radioactive wastes, including bulk rubble such as drums and other steel vessels usually without pretreatment. Utilizing the GeoMelt{sup R} technology to treat reactive metals eliminates pretreatment steps resulting from having to separate the reactive metal from steel containers or jackets as GeoMelt{sup R} can easily operate at temperatures sufficient to melt the steel and expose the reactive metal for treatment. Eliminating handling steps of reactive metals is a significant safety advantage since reactive metals are pyrophoric. The results of this two-year demonstration program and future planned activities are presented in the paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Corrosion Monitoring in an Irradiated/Used Fuel Dry Storage Container - 19193

A corrosion monitoring system was developed to monitor the corrosion behaviour of steel components embedded in the high density concrete of a Dry Storage Container (DSC). The DSC is a free-standing reinforced concrete container, with an inner carbon-steel liner and an outer carbon-steel shell, for the storage, on-site transfer and off-site transportation of irradiated Candu fuel. Normally, uncontaminated concrete is benign with regards to embedded steel components because high alkalinity in the concrete leads to formation of a passive film on the steel surface, which prevents excessive metal loss. However, corrosion of steel in concrete may be promoted by one or more of local concentration of chloride ions or local loss of alkalinity. For the DSC, it is recognized that the above mechanism(s) are unlikely, however, if any did exist, the corrosion mechanisms that could then occur would include corrosion of carbon steel components and stress corrosion cracking of 304L stainless steel components. In order to confirm that these unlikely events are not occurring, Ontario Power Generation has undertaken a project to investigate the corrosion behaviour of metallic components embedded in the DSC's high density concrete. A corrosion monitoring system that can be installed within the concrete space of a DSC was designed and installed to monitor changes in temperature, corrosion potential, corrosion rate, and electrochemical noise. The corrosion monitoring system was commissioned in July 2012, followed by the commencement of monitoring and measurements. The corrosion data, collected for the three years from year 2012 to 2015, were analyzed. It was concluded that the corrosion rates of both carbon steel and stainless steel within the DSC are very low and consistent with the intended minimum operational life of the DSC. The monitoring system as a whole has allowed a systematic and long term judgement regarding the conditions within the DSCs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Strategic Implications of Active In-Container Vitrification Trials on Thermal Treatment of UK LLW and ILW - 19240

Thermal treatment is being considered in the UK for the treatment of a wide range of low and intermediate level wastes (LLW and ILW). To support this objective, a range of in-container vitrification trials were conducted to test a wide range of simulated waste streams. One of the major aims of these trials was to assess the disposability of the thermally treated products and the potential for using this process, either for management of wastes that currently have no clear disposal route, or for reducing the cost of disposal (through volume and hazard reduction). To this end, this paper considers the disposability of the disposal products produced during these treatment trials. Particular focus is given to the waste loading and volume reduction achieved by the process, based on the explicitly calculated values for each of the melts. A brief discussion of other disposability assessment criteria is also provided covering: Homogeneity (are radionuclides evenly distributed through the package): Porosity and permeability of the product; Water content; Potential for gas generation; Organic content; and chemical properties. It was observed that the highest waste loading and greatest volume reduction was achieved when treating wastes that could themselves act as glass formers, such as silicate minerals or soils, removing the need for addition of glass frit. Glass-forming wastes also produced homogenous products with low visible porosity and favourable chemical characteristics. Conversely treatment of wastes containing significant volumes of metal gave relatively poor volume reduction and a heterogenous product with visible porosity. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Radiation hardened RF transceiver for in-containment environment applications using commercial off the shelf components - 154

The ability to use wireless devices and other electronics in a radiation environment such as Nuclear Power Plant containment is mostly limited by the radiation sensitivity of these electronics. The benefits derived from wireless technology such as the reduction of the amount of cable needed for new sensors, the reduction of the labor associated with cable routing and the reduction or elimination of containment penetrations for new sensors is significant and well understood; unfortunately these benefits have not been fully accomplished yet because of numerous challenges, one being the radiation environment. Functional operation and radiation effects of a transceiver, which utilizes an integrated circuit system-on-chip, with a micro controller, serial driver, phase-locked loop, crystal oscillators and an RF amplifier, will be described. The second type of transceiver that will be discussed uses discrete components such as JFETs, MOSFETs and op-amps to perform the signal conditioning and RF transmission is also described. Operation capabilities and radiation effects for these two approaches as well as energy sources will be described and compared in detail. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Tailored Persistent Radical‐containing Heterotrimetal‐Organic Framework for Boosting Efficiency of Visible/NIR Light‐driven Photocatalytic CO 2 Reduction

Abstract Promoting light absorption range of photocatalysts is of great significance to improve solar light‐driven photocatalytic CO 2 reduction efficiency. Herein, a new viologen‐based multicomponent heterotrimetallic metal–organic framework (MOF) [Cu 3 Th 6 ( µ 3 ‐O) 4 ( µ 3 ‐OH) 4 (cpb) 12 ][Fe III (CN) 6 ] 6 (IHEP‐14) with an unprecedented (6, 18)‐connected she ‐ d topology is presented. Upon UV irradiation, this MOF undergoes ligand and iron photoreduction, and a single‐crystal‐to‐single‐crystal transformation to generate persistent radical‐containing MOF [Cu 3 Th 6 ( µ 3 ‐O) 4 ( µ 3 ‐OH) 4 (cpb • ) 12 ][Fe II (CN) 6 ] 6 (IHEP‐15). This radical‐containing MOF shows excellent stability without fading after at least 2 months in air. Besides extending the photoabsorption to a wider wavelength range covering from 200 to 2,500 nm, the generation of persistent radical in IHEP‐15 also largely enhances its CO 2 adsorption capacity by a factor of three due to the strong affinity between π orbital of the radical and the π system of CO 2 . These attributes endow IHEP‐15 with excellent visible/NIR light‐driven CO 2 photoreduction activity, with CO production rates under visible and NIR irradiation of 570.3 and 209.3 µmol h −1 g −1 , respectively. Notably, the latter is a record high for NIR‐induced CO production among all MOFs reported so far.

Hu, Kong‐Qiu↗
DOE OSTI2025

Role of Histidine‐Containing Peptoids in Accelerating the Kinetics of Calcite Growth

Carbonate mineralization, the conversion of CO 2 into stable, thermodynamically favorable carbonate minerals, offers a promising strategy for permanent and environmentally friendly carbon storage, with minimal risk of long-term leakage and minimal monitoring requirements. Drawing inspiration from carbonic anhydrase (CA), a family of zinc-containing metalloenzymes that catalyze the hydration of CO 2 to bicarbonate and promote carbonate precipitation, a class of histidine-containing peptoids was designed that is capable of coordinating with Zn 2+ ions to act as CA mimetics for accelerating calcite step growth. In situ atomic force microscopy (AFM) measurements reveal that these peptoids significantly enhance step advancement, with a more pronounced effect observed when combined with Zn 2+ ions and under higher calcium-to-carbonate activity ratios, indicating that peptoids facilitate the incorporation of CO 3 2− ions at step edges. Solution NMR and 3D atomic force microscopy (3D AFM) analyses show that the coordination of peptoids with Zn 2+ promotes both the deprotonation of HCO 3 − to CO 3 2− and restructures the interfacial hydration layers of calcite, collectively lowering the activation barrier for step growth. These findings establish a design framework for sequence-defined polymers to regulate carbonate mineralization, offering promising applications in CO 2 capture and long-term storage.

CO2 mineralization↗
DOE OSTI2025

Lithium‐Containing Hybrid SEI Layer Enabling High Mass Loading and Anode‐Less Sodium Metal Batteries

Abstract The continuous rupturing and rebuilding of unstable solid electrolyte interphase (SEI) layer during cycling would block Na + diffusion and induce Na dendrite formation, ultimately limiting the practical application of high‐energy‐density sodium metal batteries. Herein, a hybrid SEI layer containing Li‐species is dexterously constructed on the surface of sodium metal anode. Li‐containing inorganic components (Li 3 N, LiF, and Li 2 CO 3 ) are introduced to stabilize the Na/electrolyte interface and enhance the mechanical and diffusion kinetic properties of the SEI layer, which can reduce the side reactions and gas generation, regulate Na + flux during cycling and promote rapid Na + migration for uniform dendrite‐free Na deposition. As a result, the constructed Na symmetric cells achieve low overpotential and long cycle life of 5900, 1800, and 500 h at current densities of 3, 10, and 30 mA cm −2 , respectively. Furthermore, the full cells paired with the Na₃V₂(PO₄)₃ cathode demonstrate high specific capacity and excellent cycle stability, even at an ultra‐high cathode loading of 39.3 mg cm −2 and a low N/P ratio (negative/positive electrode capacity ratio of 1.21).

Xia, Li [State Key Laboratory of Physical Chemistr↗
DOE OSTI2025

Lithium‐Containing Hybrid SEI Layer Enabling High Mass Loading and Anode‐Less Sodium Metal Batteries

The continuous rupturing and rebuilding of unstable solid electrolyte interphase (SEI) layer during cycling would block Na + diffusion and induce Na dendrite formation, ultimately limiting the practical application of high-energy-density sodium metal batteries. Herein, a hybrid SEI layer containing Li-species is dexterously constructed on the surface of sodium metal anode. Li-containing inorganic components (Li 3 N, LiF, and Li 2 CO 3 ) are introduced to stabilize the Na/electrolyte interface and enhance the mechanical and diffusion kinetic properties of the SEI layer, which can reduce the side reactions and gas generation, regulate Na + flux during cycling and promote rapid Na + migration for uniform dendrite-free Na deposition. As a result, the constructed Na symmetric cells achieve low overpotential and long cycle life of 5900, 1800, and 500 h at current densities of 3, 10, and 30 mA cm −2 , respectively. Furthermore, the full cells paired with the Na₃V₂(PO₄)₃ cathode demonstrate high specific capacity and excellent cycle stability, even at an ultra-high cathode loading of 39.3 mg cm −2 and a low N/P ratio (negative/positive electrode capacity ratio of 1.21).

Diffusion kinetic↗
DOE OSTI2020

Characterization of a Mo-Nitrogenase Variant Containing a Citrate-Substituted Cofactor

Nitrogenase converts N 2 to NH 3 , and CO to hydrocarbons, at its cofactor site. In this work, we report a biochemical and spectroscopic characterization of a Mo-nitrogenase variant expressed in an Azotobacter vinelandii strain containing a deletion of nifV, the gene encoding the homocitrate synthase. Designated NifDK Cit , the catalytic component of this Mo-nitrogenase variant contains a citrate-substituted cofactor analogue. Activity analysis of NifDK Cit reveals a shift of CO reduction from H 2 evolution toward hydrocarbon formation and an opposite shift of N 2 reduction from NH 3 formation toward H 2 evolution. Consistent with a shift in the Mo K-edge energy of NifDK Cit relative to that of its wild-type counterpart, EPR analysis demonstrates a broadening of the line-shape and a decrease in the intensity of the cofactor-originated S=3/2 signal, suggesting a change in the spin properties of the cofactor upon citrate substitution. These observations point to a crucial role of homocitrate in substrate reduction by nitrogenase and the possibility to tune product profiles of nitrogenase reactions via organic ligand substitution.

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

RNA oligomers at atomic resolution containing 1‐methylpseudouridine, an essential building block of mRNA vaccines

Abstract All widely used mRNA vaccines against COVID‐19 contain in their sequence 1‐methylpseudouridine ( m1Ψ ) instead of uridine. In this publication, we report two high resolution crystal structures (at up to 1.01 and 1.32 Å, respectively) of one such double‐stranded 12‐mer RNA sequence crystallized in two crystal forms. The structures are compared with similar structures which do not contain this modification. Additionally, the X‐ray structure of 1‐methyl‐pseudouridine itself was determined.

Nievergelt, Philipp↗
DOE OSTI2021

Rhizosphere bacteria containing ACC deaminase decrease root ethylene emission and improve maize root growth with localized nutrient supply

Abstract Localized nutrient supply can enhance maize root proliferation, but also increase root ethylene production. Whether engineering ethylene signalling in the rhizosphere can further enhance root growth and nutrient uptake remains unknown. Here, field and column experiments for maize ( Zea mays . L) were designed as different nutrient treatments (broadcast or localized nutrient supply containing ammonium and phosphorus) with or without inoculation with rhizobacterium Variovorax paradoxus 5C‐2 containing the 1‐aminocyclopropane‐1‐carboxylate (ACC) deaminase. Rhizobacterial inoculation increased shoot biomass by 12% and root length density by 50% with localized nutrient supply. Meanwhile, localized nutrient supply increased root ethylene production by 54% compared with broadcast, and rhizobacterial inoculation prevented the increase in root ethylene. Reduced root ethylene production following V. paradoxus 5C‐2 inoculation was highly associated with a greater proportion of fine root proliferation under localized nutrient supply, which may account for the increased nitrogen and phosphorus uptake. Our work sheds light on the understanding of the interactions between root and microbe through taking hormone into consideration to dissect the relationship between below ground and above ground. It is useful to explore the strategy of soil–crop management by introducing rhizosphere microorganisms to regulate plant ethylene signal and then benefit sustainable agriculture.

Jin, Kemo↗
DOE OSTI2023

Protein3D: Enabling analysis and extraction of metal‐containing sites from the Protein Data Bank with molSimplify

Abstract Metalloenzymes catalyze a wide range of chemical transformations, with the active site residues playing a key role in modulating chemical reactivity and selectivity. Unlike smaller synthetic catalysts, a metalloenzyme active site is embedded in a larger protein, which makes interrogation of electronic properties and geometric features with quantum mechanical calculations challenging. Here we implement the ability to fetch crystallographic structures from the Protein Data Bank and analyze the metal binding sites in the program molSimplify. We show the usefulness of the newly created protein3D class to extract the local environment around non‐heme iron enzymes containing a two histidine motif and prepare 372 structures for quantum mechanical calculations. Our implementation of protein3D serves to expand the range of systems molSimplify can be used to analyze and will enable high‐throughput study of metal‐containing active sites in proteins.

Edholm, Freya↗
DOE OSTI2025

Impacts of Disulfide‐Containing Monomers in Alternating Diene Metathesis Polymerization

ABSTRACT Among the classes of synthetic polymers, disulfide‐containing structures offer unique opportunities due to their accessibility to redox chemistry that allows for degradation or reversible disulfide formation and exchange under mild conditions. Here, we examine the role of disulfides in olefin metathesis polymerization, specifically alternating diene metathesis (ALTMET) polymerization, for synthesizing unsaturated polyolefins with embedded disulfides. Our synthetic strategy hinged on the use of α,ω‐diacrylate monomers, including those connected by a disulfide unit, via copolymerization by the ALTMET mechanism to yield copolymers containing a range of disulfide content. In addition, the potential impacts of sulfur‐ruthenium interactions on the ALTMET process were investigated spectroscopically, while the degradation of the resultant polymers was affected by mild reducing agents. Overall, this study contributes to the development of degradable synthetic polymers using olefin metathesis methods, with an increased understanding of the potential for further use of disulfide groups in such metathesis reactions.

Lee, Kyoungwon↗
DOE OSTI2015

Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP 2 -containing membranes: Modeling of DAT N-Terminus/PIP 2 Interactions

The dopamine transporter (DAT) is a transmembrane protein belonging to the family of neurotransmitter:sodium symporters (NSS). Members of the NSS are responsible for the clearance of neurotransmitters from the synaptic cleft, and for their translocation back into the presynaptic nerve terminal. The DAT contains long intracellular N- and C-terminal domains that are strongly implicated in the transporter function. The N-terminus (N-term), in particular, regulates the reverse transport (efflux) of the substrate through DAT. Currently, the molecular mechanisms of the efflux remain elusive in large part due to lack of structural information on the N-terminal segment. Here we report a computational model of the N-term of the human DAT (hDAT), obtained through an ab initio structure prediction, in combination with extensive atomistic molecular dynamics (MD) simulations in the context of a lipid membrane. Our analysis reveals that whereas the N-term is a highly dynamic domain, it contains secondary structure elements that remain stable in the long MD trajectories of interactions with the bilayer (totaling >2.2 μs). Combining MD simulations with continuum mean-field modeling we found that the N-term engages with lipid membranes through electrostatic interactions with the charged lipids PIP 2 (phosphatidylinositol 4,5-Biphosphate) or PS (phosphatidylserine) that are present in these bilayers. We identify specific motifs along the N-term implicated in such interactions and show that differential modes of N-term/membrane association result in differential positioning of the structured segments on the membrane surface. These results will inform future structure-based studies that will elucidate the mechanistic role of the N-term in DAT function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Effects of Sediment Containing Coal Ash from the Kingston Ash Release on Embryo-Larval Development in the Fathead Minnow, Pimephales promelas (Rafinesque, 1820)

The largest environmental release of coal ash in U.S. history occurred in December 2008 with the failure of a retention structure at the Tennessee Valley Authority (TVA) Kingston Fossil Plant in East Tennessee. A byproduct of coal-burning power plants, coal ash is enriched in metals and metalloids such as selenium and arsenic with known toxicity to fish including embryonic and larval stages. The effects of contact exposure to sediments containing up to 78 % coal ash from the Kingston spill on the early development of fish embryos and larvae were examined in 7-day laboratory tests with the fathead minnow (Pimephales promelas). No significant effects were observed on hatching success, incidences of gross developmental abnormalities, or embryo-larval survival. Results suggest that direct exposures to sediment containing residual coal ash from the Kingston ash release may not present significant risks to fish eggs and larvae in waterways affected by the spill.

Coal Ash Toxicity Fish Early Life Stages Selenium ↗
DOE OSTI2022

Evaluating the Lightning Strike Damage Tolerance for CFRP Composite Laminates Containing Conductive Nanofillers

Conductive nanofillers, such as carbon nanotube, graphene nanoplatelets, and carbon black particles (with diameters in nanometers) have been shown to enhance the electrical conductivity of fiber reinforced polymer matrix composites in many existing studies. The motivation is primarily for lightning strike protection, electromagnetic interference shielding, de-icing, and the manufacturing of lightweight electronic components. Here, we evaluate the lightning strike damage tolerance of carbon fiber reinforced polymer (CFRP) matrix composite laminates containing conductive nanofillers with varying weight fractions, including carbon black (CB), carbon nanotubes (CNT), and a mix of CB and CNT, through simulated lightning strike tests, followed by both non-destructive ultrasonic inspection and destructive sectioning to characterize the damage inflicted by the simulated lightning strike. Three-point flexural tests are performed to evaluate the residual strength retained by all CFRP specimens. Results show that lightning strike damage experienced varying levels of reduction for CFRP composite specimens containing conductive fillers in comparison to the baseline specimen without fillers. Notably, the delamination only penetrated to the interface between the 1st and 2nd layer for the specimen with 0.25 wt.% CNT in comparison to the baseline CFRP specimen for which the delamination penetrated to the interface between the 5th and 6th layer. Moreover, the retention of the flexural modulus increased from 26.5% to a maximum of 95.0% for the specimen with 0.25 wt.% hybrid CB and CNT. Yet, we show that using our chosen conductive fillers cannot fully eliminate lightning strike damage. Additionally, adding conductive fillers could compromise the flexural properties. We provide discussions on future recommendations on using conductive fillers for the lightning strike protection of CFRP composites.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Preparation and Characterization of Iminodiacetate Group Containing Nonwoven Polyethylene Fabrics and Its Application in Chromium Adsorption

An iminodiacetate (IDA) group containing nonwoven polyethylene (PE) film was prepared by radiation induced graft polymerization of an epoxy group containing monomer, glycidyl methacrylate (GMA) onto nonwoven PE fabric and subsequent chemical modification to IDA group. The effect of solvents (water, methanol, ethanol, isopropyl alcohol and dimethyl sulfoxide) on modification of epoxy group of GMA grafted PE (GMA-g-PE) fabric to IDA group was investigated. Ethanol provided a higher density of IDA group on GMA-g-PE fabric. Fourier transform infrared spectroscopy, scanning electron microscopy, thermogravimetric analysis and dynamic mechanical analysis of IDA-GMA-PE adsorbent, GMA-g-PE fabric and pure PE fabric were studied. The ability of resultant IDA adsorbent to absorb chromium from aqueous medium was evaluated by batch method. The parameters such as feeding chromium concentration, pH of chromium solution and adsorption time of IDA adsorbent were discussed. The obtained results illustrate that the IDA adsorbent could be fruitful to absorb chromium from water. The equilibrium experimental data for the adsorption of chromium on IDA adsorbent fitted Langmuir isotherm model.

36 MATERIALS SCIENCE↗