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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Acceleration and loss of relativistic electrons during small geomagnetic storms

We report that past studies of radiation belt relativistic electrons have favored active storm time periods, while the effects of small geomagnetic storms (Dst >₋50 nT) have not been statistically characterized. In this timely study, given the current weak solar cycle, we identify 342 small storms from 1989 through 2000 and quantify the corresponding change in relativistic electron flux at geosynchronous orbit. Surprisingly, small storms can be equally as effective as large storms at enhancing and depleting fluxes. Slight differences exist, as small storms are 10% less likely to result in flux enhancement and 10% more likely to result in flux depletion than large storms. Nevertheless, it is clear that neither acceleration nor loss mechanisms scale with storm drivers as would be expected. Small geomagnetic storms play a significant role in radiation belt relativistic electron dynamics and provide opportunities to gain new insights into the complex balance of acceleration and loss processes.

58 GEOSCIENCES↗
DOE OSTI2019

The Tribological Behavior of Hybrid Graphene/Tungsten Disulfide Nanoparticle Coatings

Environmental concerns regarding the disposal of fluid lubricants have led to the application of green technologies to metalworking processes in the form of dry lubricants. These dry lubricants are typically applied as spray coatings that employ the use of nanoparticles. The possible use of graphene in the form of graphene/tungsten disulfide (G/WS{sub 2}) nanoparticle spray coatings has been examined in this research. The investigation was performed through the use of ball-on-disk tests at ambient temperatures to ascertain the possible application of the aerosol spray coatings to the aluminum forming processes. The coatings proved to possess good adhesion to the Al-Mg alloy substrate. The nanoparticle spray coatings were tested at various graphene to WS{sub 2} concentrations and under varying loads. A low steady-state COF was noted for all graphene concentrations during sliding contact under all the loads examined. The durability of the coatings was observed to improve with increasing loads. The low COF was attributed to the formation of wear-induced transfer layers on the steel balls and tribolayers on the coated Al-Mg surfaces. The coating durability was related to the concentration of graphene within the nanoparticle spray coatings and the stability of the tribolayers during sliding contact. The results highlight that the G/WS{sub 2} nanoparticle spray coatings could be considered for aluminum metalworking processes.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Causal Factors of Weld Porosity in Gas Tungsten Arc Welding of Powder Metallurgy Produced Titanium Alloys

ORNL undertook an investigation using gas tungsten arc (GTA) welding on consolidated powder metallurgy (PM) titanium (Ti) plate, to identify the causal factors behind observed porosity in fusion welding. Tramp element compounds of sodium and magnesium, residual from the metallothermic reduction of titanium chloride used to produce the titanium, were remnant in the starting powder and were identified as gas forming species. PM-titanium made from revert scrap where sodium and magnesium were absent, showed fusion weld porosity, although to a lesser degree. We show that porosity was attributable to hydrogen from adsorbed water on the surface of the powders prior to consolidation. The removal / minimization of both adsorbed water on the surface of titanium powder and the residues from the reduction process prior to consolidation of titanium powders, are critical to achieve equivalent fusion welding success similar to that seen in wrought titanium produced via the Kroll process.

Gas Tungsten Arc Welding↗
DOE OSTI2019

Techno-economic analysis and life cycle assessment for electrochemical ammonia production using proton conducting membrane

Green ammonia production is facing increasing interest on a global scale as a hydrogen carrier for power generation as well as fertilizer for food production. The conventional Haber-Bosch method for ammonia synthesis is energy demanding, requires high purity hydrogen, and is based on fossil fuels. A preliminary techno-economic model for electrochemical ammonia synthesis at near ambient pressure using feed rates of 32 metric ton/day for hydrogen and 135 metric ton/day for nitrogen is presented in this study. Various pathways using different methods for nitrogen generation and hydrogen production were investigated to gain insight into added energy savings per metric ton of ammonia. Electrochemical synthesis using electrolysis for hydrogen and cryogenic nitrogen was found to be a potentially viable pathway for green ammonia. The profitability metrics including discounted cash flow rate of return, net present value and discounted payback period were estimated to be 8%, $40 MM, and 4–6 years respectively for this pathway. The cost of electricity, conversion rate, and conversion efficiency dominate the tonnage cost of ammonia and were used to assess the feasibility of the model. A life cycle assessment was also conducted to assess the environmental impact of a well to product ammonia process.

08 HYDROGEN↗
DOE OSTI2018

Energy production from waste: Evaluation of anaerobic digestion and bioelectrochemical systems based on energy efficiency and economic factors

Anaerobic digesters (AD) and bioelectrochemical systems (BES) are becoming increasingly popular technologies for the generation of renewable energy from wastes. Synergies between these technologies exist, however, configurations to couple them have been insufficiently investigated. This study compares the theoretical energy efficiencies of converting waste directly into electricity, using AD and BES alone and in various combinations. This study reviews the experimentally demonstrated energy efficiencies reported in the literature with comparisons to the maximum theoretical efficiencies, considering thermodynamic limits. Acetate is used as an ideal substrate for theoretical calculations, whereas complex wastes are used for extended analyses of practical efficiencies. In addition, to evaluate the economic potential of this technology, a brief case study was conducted using the Oak Ridge National Laboratory (ORNL) water resource recovery facility (WRRF). Sensitivity analysis was performed on several parameters in the economic model. The results of this study indicate the combined Anaerobic Digester/Microbial Electrolysis Cell (ADMEC) process may be the best path forward due to the high energy efficiency, combined with potential economic benefits, but is not at commercial readiness. We estimate energy efficiencies of 52.9% and 45.6% for the ADMEC process, using current state-of-the-technology, for converting food waste and sewage sludge to a CH 4 /H 2 mix, respectively. Finally, this study concludes with a discussion of new strategies to improve the energy efficiency of AD and BES processes.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

New directions and principles for solvent extraction for recovery of lithium from aqueous brines and mineral leachates: A brief review

Increasing demand for lithium for manufacturing of batteries is fueling the unprecedented search for improved recovery and alternative sources. Wider source distribution, lower energy consumption, and greater sustainability make extraction of lithium from brines, both natural and process-derived, an attractive alternative to mineral ores. Solvent extraction, used industrially for production of metals, salts, and pharmaceuticals, has been investigated as a methodology for lithium recovery for several decades. However, industrial application of solvent extraction for lithium recovery has so far been limited. In contrast, direct lithium extraction using adsorbents based on inorganic minerals has rapidly advanced from research to commercialization. A comparison of solvent extraction processes to adsorption highlights these issues and explains the preference for adsorbents. Although the application of solvent extraction has been criticized for use of large amounts of acid, alkali, and organic solvents, steady progress has been made to improve its potential for industrial lithium production, spurred on generally by the advantages of solvent extraction in selectivity and throughput. Previously developed beta-diketone, organophosphate, and crown ether ligands are being adapted and improved. Their novel use with ionic liquids, deep eutectic solvents, and membrane technologies promises to expand capabilities for extraction of lithium from dilute aqueous sources while improving sustainability. Possibilities for further discovery and innovation abound. In this review, we provide a unique perspective from the field of solvent extraction starting with fundamentals such as ion-transfer theory and apply them to understanding lithium selectivity and extraction behavior. In conclusion, the results are cast in the light of the practical realities of developing economical solvent extraction processes.

Brine↗
DOE OSTI2018

Synthesis of Supported Pd 0 Nanoparticles from a Single-Site Pd 2+ Surface Complex by Alkene Reduction

Here, a surface metal–organic complex, (-AlO x )Pd(acac) (acac = acetylacetonate), is prepared by chemically grafting the precursor Pd(acac) 2 onto γ-Al 2 O 3 in toluene at 25 °C. The resulting surface complex is characterized by inductively coupled plasma atomic emission spectroscopy (ICP-AES), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and dynamic nuclear polarization surface-enhanced solid-state nuclear magnetic resonance spectroscopy (DNP SENS). This surface complex is a precursor in the direct synthesis of size-controlled Pd nanoparticles under mild reductive conditions and in the absence of additional stabilizers or pretreatments. Indeed, upon exposure to gaseous ethylene or liquid 1-octene at 25 °C, the Pd 2+ species is reduced to form Pd 0 nanoparticles with a mean diameter of 4.3 ± 0.6 nm, as determined by scanning transmission electron microscopy (STEM). These nanoparticles are catalytically relevant using the aerobic 1-phenylethanol oxidation as a probe reaction, with rates comparable to a conventional Pd/Al 2 O 3 catalyst but without an induction period. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed reaction mass spectrometry (TPR-MS) reveal that the surface complex reduction with ethylene coproduces H 2 , acetylene, and 1,3-butadiene. This process reasonably proceeds via an olefin activation/coordination/insertion pathway, followed by β-hydride elimination to generate free Pd 0 . Lastly, the well-defined nature of the single-site supported Pd 2+ precursor provides direct mechanistic insights into this unusual and likely general reductive process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates

Crystallization of Al-bearing solid phases from highly alkaline Na 2 O:Al 2 O 3 :H 2 O solutions commonly necessitates an Al 3+ coordination change from tetrahedral to octahedral, but intermediate coordination states are often difficult to isolate. Here, a similar Al 3+ coordination change process is examined during the solid-state recrystallization of sodium oxohydroxoaluminate hydrate (MSA) to nonasodium bis(hexahydroxy aluminate) trihydroxide hexahydrate (NSA) at ambient temperature. While the MSA structure contains solely polymerized tetrahedral Al 3+ , the NSA structure is a molecular aluminate salt solely based upon monomeric octahedral Al 3+ . Spontaneous recrystallization of MSA and excess sodium hydroxide hydrate into NSA over 3 days of reaction time was clearly evident in X-ray diffractograms and in Raman spectra. In situ 27 Al multiple quantum MAS NMR spectroscopy showed no evidence of intermediate aluminates, suggesting that intermediates, such as pentacoordinate Al 3+ , are short-lived and require more highly time resolved spectroscopies to detect. Such research is advancing upon detailed mechanistic understanding of Al 3+ coordination change mechanisms in these highly alkaline systems, with relevance to aluminum refining, corrosion sciences, and nuclear waste processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Coupled Multimodal Dynamics of Hydrogen-Containing Ion Networks in Water-Deficient, Sodium Hydroxide-Aluminate Solutions

The (meta)stability of low water activity sodium hydroxide/aluminate (Na + OH–/Al(OH) 4 –) electrolytes dictates kinetics in the Bayer process for aluminum refining and high-level nuclear waste processing. We utilized quasi-elastic neutron scattering (QENS) and proton nuclear magnetic resonance spectroscopy ( 1 H NMR) in extremely concentrated sodium aluminate solutions to investigate the picosecond (ps) to microsecond (ms) timescale motions of H-bearing species (Al(OH) 4 – monomers/clusters, OH– and H 2 O). In the QENS data, in contrast to typical liquids, no short-time translational diffusion was observed at 293 K, but two types of localized motions were found: (i) local backbone tumbling or a formation of large hydrated ion clusters on the order of 40–60 ps; and (ii) much slower, complex, and collective dynamics of the ensemble of H-bearing species on the order of 350–750 ps. Variable temperature, pulsed field gradient, diffusion-ordered 1H NMR was used to determine the ensemble translational motion along with relaxometry to calculate rotational correlation coefficients. The ensemble rotational correlation times were on the order of 184–300 ps from 1 H NMR, which is consistent with the timescale of the QENS components. Complementary molecular dynamics simulation of NaOH solutions exhibit extensive ion networks potentially responsible for the observed dynamical coupling of water with the motion of large hydrated ion clusters. Understanding these collective motions will aid in predicting the behavior of complex solutions during aluminum production and during nuclear waste processing.

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

Understanding Time Dependence on Zinc Metal-Organic Framework Growth Using In Situ Liquid Secondary Ion Mass Spectrometry

The abundance of novel metal-organic framework (MOF) materials continues to increase as more applications are discovered for these highly porous, well-ordered crystalline adsorbents. The simplicity of its constituents allows for the design of new MOFs with virtue of functionality and pore topology towards target adsorbates. However, the fundamental understanding of how these frameworks age during nucleation and growth is mostly limited to speculation from simulation studies. In this effort, we utilize the microfluidic interface of liquid and vacuum in a unique SALVI device to analyze the formation and aging of the benchmark MOF-74 framework using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Principal component analysis (PCA) of the SIMS mass spectra together with ex situ microscopy and porosimetry, provide new insights into the growth and aging process.

Sabale, Sandip R.↗
DOE OSTI2016

Reactivity of a Carbon-Supported Single-Site Molybdenum Dioxo Catalyst for Biodiesel Synthesis

A single-site molybdenum dioxo catalyst, (O c ) 2 Mo(=O)2@C, was prepared via direct grafting of MoO 2 Cl 2 (dme) (dme = 1,2-dimethoxyethane) on high-surface-area activated carbon. The physicochemical and chemical properties of this catalyst were fully characterized by N 2 physisorption, ICP-AES/OES, PXRD, STEM, XPS, XAS, temperature-programmed reduction with H 2 (TPR-H 2 ), and temperature-programmed NH 3 desorption (TPD-NH 3 ). The single-site nature of the Mo species is corroborated by XPS and TPR-H2 data, and it exhibits the lowest reported MoO x T max of reduction reported to date, suggesting a highly reactive Mo VI center. (O c ) 2 Mo(=O) 2 @C catalyzes the transesterification of a variety of esters and triglycerides with ethanol, exhibiting high activity at moderate temperatures (60–90 °C) and with negligible deactivation. (O c ) 2 Mo(=O) 2 @C is resistant to water and can be recycled at least three times with no loss of activity. The transesterification reaction is determined experimentally to be first order in [ethanol] and first order in [Mo] with ΔH ‡ = 10.5(8) kcal mol –1 and ΔS ‡ = –32(2) eu. Here, the low energy of activation is consistent with the moderate conditions needed to achieve rapid turnover. This highly active carbon-supported single-site molybdenum dioxo species is thus an efficient, robust, and low-cost catalyst with significant potential for transesterification processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Tunable Visibly Transparent Optics Derived from Porous Silicon

Visibly transparent porous silicon dioxide (PSiO 2 ) and PSiO 2 /titanium dioxide (TiO 2 ) optical elements were fabricated by thermal oxidation, or a combination of thermal oxidation and atomic layer deposition infilling, of an electrochemically etched porous silicon (PSi) structure containing an electrochemically defined porosity profile. The thermally oxidized PSiO 2 structures are transparent at visible wavelengths and can be designed to have refractive indices ranging from 1.1 to 1.4. The refractive index can be increased above 2.0 through TiO 2 infilling of the pores. Applying this oxidation and TiO 2 infilling methodology enabled tuning of a distributed Bragg reflector (DBR) formed from PSi across the visible spectrum. At the maximum filling, the DBR exhibited a transmission of 2% at 620 nm. Simulations match well with measured spectra. In addition to forming DBR filters, phase-shaping gradient refractive index (GRIN) elements were formed. As a demonstration, a 4 mm diameter radial GRIN PSiO 2 element with a parabolic, lens-like phase profile with a calculated focal length of 1.48 m was formed. The calculated focal length was reduced to 0.80 m upon the addition of TiO 2 . All the structures showed broad transparency in the visible and were stable to the materials conversion process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Au and Pt Remain Unoxidized on a CeO 2 -Based Catalyst during the Water–Gas Shift Reaction

The active form of Au and Pt in CeO 2 based catalysts for the WGS reaction is an issue that although it has been widely studied remains unclear. On one hand, ionic species might be responsible of weakening the Ce-O bonds increasing the oxygen mobility and WGS activity. On the other hand, the close contact of Au or Pt atoms with CeO 2 oxygen vacancies at the metal/CeO 2 interface might provide the active sites for an efficient reaction. In this work, by using in-situ X-ray absorption spectroscopy, we demonstrate that both Au and Pt remain unoxidized during the reaction. Here, remarkable differences involving the dynamics established by both species under WGS atmospheres were recognized. For the pre-reduced Pt catalyst, an increase of the conversion coincided with a re-structuration of the Pt atoms into cuboctahedrical metallic particles without significant variations on the overall particle size. Contrary to the relatively static behavior of Pt 0 , Au 0 nanoparticles exhibited a sequence of particle splitting and agglomeration whilst maintaining a zero oxidation state, even though not being located in a metallic environment during the process. High WGS activity was obtained when Au atoms were surrounded by oxygen. The fact that Au preserves its unoxidized state indicates that the chemical interaction between Au and oxygen must be necessarily electrostatic being such electrostatic interaction fundamental for a top performance in the WGS process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Matrix-Assisted Ionization of Molecular Uranium Species

Matrix-assisted ionization (MAI) demonstrates high sensitivity for a variety of organic compounds; however, few studies have reported the application of MAI for the detection and characterization of inorganic analytes. Trace-level uranium analysis is important in the realms of nuclear forensics, nuclear safeguards, and environmental monitoring. Traditional mass spectrometry methods employed in these fields require combinations of extensive laboratory chemistry sample preparation and destructive ionization methods. There has been recent interest in exploring ambient mass spectrometry methods that enable timely sample analysis and higher sensitivity than what is attainable by field-portable radiation detectors. Rapid characterization of uranium at nanogram levels is demonstrated in this study using MAI techniques. Mass spectra were collected on an atmospheric pressure mass spectrometer for solutions of uranyl nitrate, uranyl chloride, uranyl acetate, and uranyl oxalate utilizing 3-nibrobenzonitrile as the ionization matrix. The uranyl complexes investigated were detectable, and the chemical speciation was preserved. Sample analysis was accomplished in a matter of seconds, and limits of detection of 5 ng of uranyl nitrate, 10 ng of uranyl oxalate, 100 ng of uranyl chloride, and 200 ng of uranyl acetate were achieved. The observed gas-phase speciation was similar to negative-ion electrospray ionization of uranyl compounds with notable differences. Six matrix-derived ions were detected in all negative-ion mass spectra, and some of these ions formed adducts with the uranyl analyte. Subsequent analysis of the matrix suggests that these molecules are not matrix contaminants and are instead created during the ionization process.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Effect of D2O on growth properties and chemical structure of annual ryegrass (Lolium multiflorum)

In present paper, we report the production and detailed structural analysis of deuterium-enriched rye grass (Lolium multiflorum) for neutron scattering experiments. An efficient method to produce deuterated biomass was developed by designing hydroponic perfusion chambers. In preliminary studies, the partial deuterated rye samples were grown in increasing levels of D2O to study the seed germination and the level of deuterium incorporation as a function of D2O concentration. Solution NMR method indicated 36.9 % deuterium incorporation in 50 % D2O grown annual rye samples and further significant increase in the deuterium incorporation level was observed by germinating the rye seedlings in H2O and growing in 50 % D2O inside the perfusion chambers. Moreover, in an effort to compare the substrate characteristics related to enzymatic hydrolysis on deuterated and protiated version of biomass, annual rye grown in 50 % D2O was selected for detailed biomass characterization studies. The compositional analyses, degree of polymerization and cellulose crystallinity were compared with its protiated control. The cellulose molecular weight indicated slight variation with deuteration; however, hemicellulose molecular weights and cellulose crystallinity remain unaffected with the deuteration. Besides the minor differences in biomass components, the development of deuterated biomass for neutron scattering application is essential to understand the complex biomass conversion processes.

deuteration↗
DOE OSTI2016

Out of the Corner of My Eye: Foveal Semantic Load Modulates Parafoveal Processing in Reading.

In two experiments, we examined the impact of foveal semantic expectancy and congruity on parafoveal word processing during reading. Experiment 1 utilized an eye-tracking gaze contingent display change paradigm, and Experiment 2 measured event-related brain potentials (ERP) in a modified RSVP paradigm to track the time-course of foveal semantic influences on convert attentional allocation to parafoveal word processing. Furthermore, eye-tracking and ERP data converged to reveal graded effects of semantic foveal load on parafoveal processing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Aging power spectrum of membrane protein transport and other subordinated random walks

Single-particle tracking offers detailed information about the motion of molecules in complex environments such as those encountered in live cells, but the interpretation of experimental data is challenging. One of the most powerful tools in the characterization of random processes is the power spectral density. However, because anomalous diffusion processes in complex systems are usually not stationary, the traditional Wiener-Khinchin theorem for the analysis of power spectral densities is invalid. Here, we employ a recently developed tool named aging Wiener-Khinchin theorem to derive the power spectral density of fractional Brownian motion coexisting with a scale-free continuous time random walk, the two most typical anomalous diffusion processes. Using this analysis, we characterize the motion of voltage-gated sodium channels on the surface of hippocampal neurons. Our results show aging where the power spectral density can either increase or decrease with observation time depending on the specific parameters of both underlying processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

High-speed X-ray imaging of the Leidenfrost collapse

Abstract The Leidenfrost layer is characterized by an insulating vapor film between a heated surface and an ambient liquid. The collapse of this film has been canonically theorized to occur from an interfacial instability between the liquid and vapor phases. The interfacial instability alone, however, is insufficient to explain the known influence of the surface on the film collapse process. In this work, we provide visual evidence for two key mechanisms governing the film collapse: the interfacial instability, and the nucleation of vapor upon multiple non-terminal liquid-solid contacts. These results were obtained by implementing high-speed X-ray imaging of the film collapse on a heated sphere submerged in liquid-water. The X-ray images were synchronized with a second high-speed visible light camera and two thermocouples to provide insight into the film formation and film collapse processes. Lastly, the dynamic film thickness was quantified by analysis of the X-ray images. This helped assess the influence of surface roughness on the disruption of the film. The results of this work encourage further investigation into non-linear stability theory to consolidate the role of the surface on the liquid-vapor interface during the film collapse process.

47 OTHER INSTRUMENTATION↗