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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Thermodynamic stability of xenon-doped liquid argon detectors

Liquid argon detectors are employed in a wide variety of nuclear and particle physics experiments. The addition of small quantities of xenon to argon modifies its scintillation, ionization, and electroluminescence properties and can improve its performance as a detection medium. However, a liquid argon-xenon mixture can develop instabilities, especially in systems that require phase transitions or that utilize high xenon concentrations. In this work, we analyze the causes of these instabilities and describe a small (liter-scale) apparatus with a unique cryogenic circuit specifically designed to handle argon-xenon mixtures. The system is capable of condensing argon gas mixed with $\mathscr{O}$ (1%) xenon by volume and maintains a stable liquid mixture near the xenon saturation limit while actively circulating it in the gas phase. We also demonstrate control over instabilities that develop when the detector condition is allowed to deviate from optimized settings. This progress enables future liquid argon detectors to benefit from the effects of high concentrations of xenon doping, such as more efficient detection of low-energy ionization signals. In conclusion, this work also develops tools to study and mitigate instabilities in large argon detectors that use low concentration xenon doping.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Chloride Salt Purification by Reaction With Thionyl Chloride Vapors to Remove Oxygen, Oxygenated Compounds, and Hydroxides

Molten chloride salts (including MgCl 2 , KCl, NaCl, and ZnCl 2 ) are being considered for heat transfer media for renewable (solar) and nuclear power generators, as fuel carrier for nuclear reactors, and as thermal energy storage media. Impurities such as oxygen, hydroxides, moisture, and sulfur are known to negatively influence the corrosion of materials in contact with the salt (e.g., structural metals). Commercially available chloride salts come with a range of impurities. Before using the chloride salts at high temperature, it is desirable to remove the impurities to increase the performance of the salt and reduce corrosion. In this study, we tested the use of thionyl chloride vaporized into a stream of argon to react with oxygenated impurities in a mixture of MgCl 2 -KCl-NaCl, removing them as HCl and SO 2 . The reagent was bubbled through the salt when both above and below the melting point. The reaction was followed using thermocouple data from the salt and by Fourier transform infrared (FTIR) spectroscopy on the exhaust of the reactor. The reaction kinetics were followed by comparing the peaks from SO 2 product to SOCl 2 reagent in the FTIR spectra. The purity of the salt was assessed at the end of the purification process by x-ray diffraction and inductively coupled plasma analysis. Although the process was effective in removing the oxygen content of the mixture, ternary compounds were formed in the process, including KNiCl 3 and KMgCl 3 . The nickel in KNiCl 3 came from the reaction between the salt and the nickel vessel. Thus, these experiments suggest that improvements to the process must be made before using SOCl 2 vapors for the purification of chloride salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Emissions of oxides of nitrogen from an experimental premixed-hydrogen burner

Flame-tube experiments using premixed hydrogen and air were conducted to determine the emissions of oxides of nitrogen (NOx) resulting from ultralean combustion. Measurements of NOx emissions and combustion efficiency were made for inlet mixture temperatures of 600 and 700 K, pressures of 3.8 x 10 to the 5th power and 5.2 x 10 to the 5th power N/m squared, reference velocities of 15 to 18 m/sec, and equivalence ratios of 0.2 to 0.4. At the 700 K inlet mixture temperature, NOx emissions were 0.06 ppmv, and combustion efficiency was 98 percent at an equivalence ratio of 0.24. The use of a high-blockage (92-percent blockage) flameholder made it possible to conduct tests without upstream burning in the premixing duct for mixtures with equivalence ratios less than 0.4. For richer mixtures upstream burning did occur and prevented further testing.

Anderson, D. N.↗
NASA NTRS1983

Observations of odd-half cyclotron harmonic emissions in a shell-Maxwellian laboratory plasma

During the last 14 years, the subject of odd-half electron cyclotron harmonic emission from plasma has been given considerable attention. It was apparently first reported to occur in a beam plasma machine. The existence of the emission in space has been well documented through observations made with satellites. Because wavelengths are difficult to observe in space, no wave number spectrum has ever been obtained for the half-odd harmonic emission. Such a spectrum together with a frequency spectrum might provide the basis for a successful modeling of the instability. The present investigation is concerned with the design of a laboratory experiment in which a plasma with an anisotropic velocity distribution is produced and measured. In addition, the dispersion relation is directly measured, and a noise analysis is conducted. The obtained plasma, a mixture of shell and Maxwellian distributions, is found to emit waves within the Bernstein wave branches. By correlation measurements, a mode is found which is essentially an absolute instability in a narrow frequency band.

Urrutia, J. M.↗
DOE OSTI2012

Diffusion velocity correlation for nuclear graphite gasification at high temperature and low Reynolds numbers

The safety analysis of High-Temperature and Very High Temperature gas-cooled Reactors requires reliable estimates of nuclear graphite gasification as a function of temperature, among other parameters, in the unlikely event of an air ingress accident. Although the rates of the prevailing chemical reactions increase exponentially with temperature, graphite gasification at high temperatures is limited by the oxygen diffusion through the boundary layer. The effective diffusion velocity depends on the total flow rate and pressure of the bulk air-gas mixture. This paper develops a semi-empirical Sherwood number correlation for calculating the oxygen diffusion velocity. The correlation is based on a compiled database of the results of convective heat transfer experiments with wires and cylinders of different diameters in air, water and paraffin oil at 0.006 {<=} Re {<=} 1,604 and 0.068 {<=} Sc {<=} 35.2, and of mass transfer experiments at 4.8 {<=} Re {<=} 77 and 1,300 {<=} Sc {<=} 2,000. The developed correlation is within {+-} 8% of the compiled database of 567 data points and consistent with reported gasification rate measurements at higher temperatures in experiments using different size specimens of nuclear graphite grades of NBG-18 and NB-25, IG-11, IG-110 and IG-430 in atmospheric air at 0.08 {<=} Re {<=} 30. Unlike the Graetz solution that gives a constant Sh of 3.66 at Re {<=} 1.0, the present correlation shows Sh decreases monotonically to much lower values with decreasing Re. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2012

Fabrication of Fe16N2 Films by Sputtering Process and Experimental Investigation of Origin of Giant Saturation Magnetization in Fe16N2

We present a systematic study to address a longstanding mystery in magnetic materials and magnetism, whether there is giant saturation magnetization in Fe{sub 16}N{sub 2} and why. Experimental results based on sputtered thin film samples are presented. The magnetism of Fe{sub 16}N{sub 2} is discussed systematically from the aspects of material processing, magnetic characterization and theoretical investigation. It is observed that thin films with Fe{sub 16}N{sub 2}+Fe{sub 8}N mixture phases and high degree of N ordering, exhibit a saturation magnetization up to 2.68T at room temperature, which substantially exceeds the ferromagnetism limit based on the traditional band magnetism understanding. From X-ray magnetic circular Dichorism (XMCD) experiment, transport measurement and first-principle calculation based on LDA+U method, it is both experimentally and theoretically justified that the origin of giant saturation magnetization is correlated with the formation of highly localized 3d electron states in this Fe-N system. A large magnetocrystalline anisotropy for such a material is also discussed. Our proposed 'cluster+atom' theory provides promising directions on designing novel magnetic materials with unique performances.

36 MATERIALS SCIENCE↗
DOE OSTI2019

On using a multiphase combustion configuration to evaluate detailed kinetic mechanisms of gasoline/biofuel blends

The atmospheric pressure results presented show that n-heptane and iso-butanol mixtures had droplet diameter squares that decreased nearly linearly with time during burning while the flame standoff ratio increased throughout burning. Increasing the iso-butanol fraction decreased the burning-rate because of the accompanying increase in the density of the iso-butanol compared to heptane. At the same time, increasing iso-butanol mixture fraction appreciably reduced the maximum acetylene mole fraction and the sooting tendency. The mechanism is consistent with carbon atoms in iso-butanol binding to oxygen atoms that cannot then be transformed into soot. Computational and experimental results exhibited generally very good agreement. The simulated flame diameters bounded the measurements using definitions of flame diameter based on the maximum temperature and maximum OH mole fraction. With the simulations validated by the experiments, predictions of the peak acetylene concentrations as a soot precursor were made and found to occur very near the 1350 K isotherm as a soot inception temperature. Moreover, simulated greenhouse gas concentrations (CO2) were not appreciably changed with increasing iso-butanol concentration. As such, the results show a tradeoff with iso-butanol addition, namely that mixture droplets burn slower but produce less particulates and with little influence on formation of CO2 as a representative greenhouse gas.

Avedisian, Thomas↗
DOE OSTI2019

Combustion of petroleum-based transportation fuels and their blends with biofuels

The atmospheric pressure results presented show that n-heptane and iso-butanol mixtures had droplet diameter squares that decreased nearly linearly with time during burning while the flame standoff ratio increased throughout burning. Increasing the iso-butanol fraction decreased the burning-rate because of the accompanying increase in the density of the iso-butanol compared to heptane. At the same time, increasing iso-butanol mixture fraction appreciably reduced the maximum acetylene mole fraction and the sooting tendency. The mechanism is consistent with carbon atoms in iso-butanol binding to oxygen atoms that cannot then be transformed into soot. Computational and experimental results exhibited generally very good agreement. The simulated flame diameters bounded the measurements using definitions of flame diameter based on the maximum temperature and maximum OH mole fraction. With the simulations validated by the experiments, predictions of the peak acetylene concentrations as a soot precursor were made and found to occur very near the 1350 K isotherm as a soot inception temperature. Moreover, simulated greenhouse gas concentrations (CO2) were not appreciably changed with increasing iso-butanol concentration. As such, the results show a tradeoff with iso-butanol addition, namely that mixture droplets burn slower but produce less particulates and with little influence on formation of CO2 as a representative greenhouse gas.

Avedisian, Thomas↗
DOE OSTI2020

Influence of Equation-of-States on Supercritical CO2 Combustion Mixtures

Abstract Fossil fuel based direct-fired supercritical CO2 (sCO2) cycles are gaining the attention of industry, academia, and government due to their remarkable efficiency and carbon capture at high-source temperatures. Modeling plays an important role in the development of sCO2 combustors because experiments are very expensive at the designed operating conditions of these direct-fired cycles. Inaccurate density estimates are detrimental to the simulation output. Hence, this work focuses on comprehensive evaluation of the influence and applicability of various equation-of-states (EOS) which are being used in the supercritical combustion modeling literature. A state-of-the-art supercritical combustion modeling methodology is used to simulate counter-flow supercritical CO2 flames by using various equation-of-states. The results show that using the corresponding state principle to evaluate compressibility factor is not accurate. Also, van der Waal type EOSs predictions can be as accurate as complex Benedict–Webb–Rubin EOSs; hence van der Waal EOSs are more suitable to simulate sCO2 combustor simulations. Non-ideal effects are significant under the operating conditions considered in this work. The choice of EOS significantly influences the flame structure and heat release rate. Also, assuming the binary interaction parameter as zero is reasonable in sCO2 combustion simulations.

Energy & Fuels↗
DOE OSTI2025

Charge regulation effects on colloidal mixture nanoparticles

Changes in pH within a system containing dissociable sites affect the protonation and deprotonation of these groups, thereby influencing their physical properties. In response, the system modifies their surface charge, affecting electrostatic interactions, aggregation, stability, and structural behavior. Although the pH can be tuned in experiments, it is difficult to model this phenomenon using simulations or theoretical approaches. Here, we perform hybrid Monte Carlo-molecular dynamics simulations to model charge regulation effects in an equimolar colloidal charged system. We compare charge regulation effects with those of a system in which the charges of colloidal nanoparticles are not dissociable. The comparison between the two cases modifies the phase diagram, and it changes the volume fraction where a percolation network of nanoparticles is found. Charge regulation is found to destroy network formation, as the charge in the nanoparticles is modified because of the cooperativity dependency of the degree of charge dissociation sites among the nanoparticles favoring cluster formation. Furthermore, our work suggests that the ionic and/or electronic conductivity in functionalized nanoparticles can be modified by changing pH values. It also guides the experimental design of oppositely charged nanoparticles as inks for 3D printing processes.

Classical statistical mechanics↗
DOE OSTI2024

Effects of spatiotemporal plasma power distribution on the modeling of ignition kernel evolution in quiescent and turbulent methane/air mixtures

Abstract The present work improves a phenomenological plasma-assisted combustion model by integrating the spatiotemporal distribution of plasma power density, thereby considering the evolution of plasma streamers in the modeling, and subsequently, better predicting the ignition kernel evolution. The improved phenomenological model is validated against experiments representing the plasma discharge and post-discharge ignition kernel evolution. Specifically, the new model demonstrates a more accurate prediction of ultrafast gas heating and O 2 dissociation during the plasma discharge, compared to the original model. In addition, the new model is found to closely match the experimental pressure wave and heated channel profiles post-discharge without the need for tuning the energy deposition (unlike the original model), highlighting its accuracy of post-discharge ignition kernel dynamics. The improved phenomenological model is then employed to investigate ignition kernel evolution for a stoichiometric methane-air discharge across various discharge gap configurations. Simulations reveal a non-uniform temperature and streamer distribution progressing from the electrode tips toward the center, contrasting uniform cylindrical discharges previously described in the original model. Streamer propagation is observed to be faster for larger gaps when maintained at the same average electric field for different discharge gaps. The tendency of smaller gaps to produce detached toroidal ignition kernels is observed, while larger gaps promote cylindrical and attached ignition kernels. Interactions between successive ignition kernels from consecutive discharges varied significantly, with the smallest gap (1 mm) promoting the quenching of the preceding ignition kernel due to the initial kernel–kernel separation. The intermediate gap (2 mm) promotes detached kernel growth. In contrast, in the largest gap (4 mm), kernels consistently combine and expand attached to electrodes. The impact of homogeneous isotropic turbulence is also explored, showing the persistence of ignition kernels early on but eventually quenching due to enhanced radical and heat losses with pronounced turbulence intensity.

Johnson, Praise Noah↗
DOE OSTI2023

Stability study of aqueous foams under high-temperature and high-pressure conditions relevant to Enhanced Geothermal Systems (EGS)

In Enhanced Geothermal System (EGS) hydraulic fracturing is carried out by injecting cold water into deep Hot Dry Rocks (HDR) under carefully controlled conditions to create new or reopen existing fractures. Water-based fracturing fluids demonstrate some challenges including immense quantity of water usage, water sensitivity of the formations, water blocking, and lack of proppant carrying capacity and transportation. Thus, an alternative is to use foam-based fracturing fluid which offers potential advantage over conventional water-based fracturing fluid such as minimum water usage, reduced wellbore damage, high proppant carrying capacity, and less environmental damage. However, foams are complex mixture of gaseous phase and liquid phase which are thermodynamically unstable at downhole conditions, and their stability can decrease over time due to liquid drainage, bubble coarsening, and coalescence. This paper shows laboratory experiments executed to study foam stability at high temperature (200°C) and high pressure (6.9MPa) conditions which simulates the geothermal environment. Foam stability was characterized by half-life of foam, which is defined as the time taken by the foam to decreases by 50% of its original height due to drainage. In this paper, two types of gaseous phases, nitrogen (N 2 ) and carbon dioxide (CO 2 ) were investigated. Also, based on successful practice of foam-based fracturing fluid in oil and gas industries, four surfactants, including Alpha olefin sulfonate (AOS), Sodium dodecyl sulfonate (SDS), Tergitol™ (NP – 40), and Cetyltrimethylammonium chloride (CTAC) at optimum concentration of 1wt.% were tested for best stability performance. In addition, different stabilizing agents including guar gum, bentonite clay, crosslinker, silicon dioxide nanoparticles (SiO 2 ), graphene oxide (GO) were also studied. Experimental results showed that N 2 foams were more stable than CO 2 foams. It was observed that foam half-life decreased with the increase in temperature. Among all the surfactants, AOS foams showed the most promising thermal stability at high temperatures. Moreover, with the addition of stabilizing agents, foam's half-life was enhanced. Stabilizing agents such as crosslinker and GO dispersion showed the most stable foams with half-life recorded at 20min and 17min, respectively, at 200°C and 6.9MPa. Finally, pressure also showed a positive effect on foam stability; with increased pressure, foam half-life was increased. Based on the experimental data, analytical models for the effect of temperature and pressure were developed, considering foam degradation is a first-order kinetic reaction that linearly depends on the foam drainage mechanism. The effect of temperature on foam half-life was studied as an exponential decay model. In this model, foam half-life is a function of drainage rate constant (D A ) and activation energy (E a ) of the foam system. The effect of pressure on foam half-life was found to obey a power-law model where an increase in pressure showed an increase in foam half-life. Furthermore, a linear relation was studied for the effect of pressure on foam activation energy and drainage rate. Then the combined effects of temperature and pressure were studied, which yielded an analytical model to predict the foam stabilities in terms of half-life for different foam compositions. In conclusion, this research indicates that with an appropriate selection of surfactants and stabilizing agents, it is possible to obtain stable foams, which could replace conventional water fracturing fluid under EGS conditions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2012

Controlled synthesis and optical properties of BaFBr:Eu{sup 2+} crystals via ethanol/water solutions

Graphical abstract: A facile and cost-effective approach for the controlled synthesis of BaFBr:Eu{sup 2+} crystals is introduced. The structures and morphologies of the obtained products are affected by the amount of water and ethanol in the solvent mixtures. Highlights: ► Precipitation route for preparing BaFBr nano and micro crystals in water/ethanol solvent mixtures. ► Controlled growth of BaFBr nano crystals by tuning the volume ratio of Ethanol/water. ► Luminescence properties after annealing at 200 °C are investigated. ► Short lifetimes of photoluminescence and photostimulated luminescence in BaFBr:Eu{sup 2+} nano crystals are presented. ► Shortened lifetimes in BaFBr:Eu{sup 2+} nano crystals demonstrate that they are promising materials for use in X-ray imaging systems. -- Abstract: BaFBr:Eu{sup 2+} crystals with different structures were successfully fabricated via a simple precipitation method using ethanol/water mixtures as solvents. The amount of ethanol in the solvent mixtures played a significant role in the formation of final products, enabling the well-controlled growth of the BaFBr crystals. A possible formation mechanism was proposed based on the results of controlled experiments. The phases and morphologies of the resulting samples were systematically investigated by X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), selected area electron diffraction (SAED) and elementary analysis. The optical properties of the annealed BaFBr:Eu{sup 2+} nano-cuboids were investigated using photoluminescence (PL), photo-stimulated luminescence spectroscopy (PSL) and kinetic decays. Faster decay behaviors demonstrate that these BaFBr:Eu{sup 2+} phosphors are promising materials for applications in optical storage fields. Furthermore, it is envisaged that this environmentally benign method can be extended to prepare other fluoride halides.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ab Initio Density Functional Calculations and Infra-Red Study of CO Interaction with Pd Atoms on θ-Al 2 O 3 (010) Surface

The ab initio density functional theoretical studies show that energetics favor CO oxidation on single Pd atoms supported on θ-alumina. The diffuse reflectance infra-red spectroscopy (DRIFTS) results show that carbonates are formed as intermediates when single supported Pd atoms are exposed to a gaseous mixture of CO + O 2 . The rapid agglomeration of Pd atoms under CO oxidation conditions even at 6°C leads to the presence of Pd particles along with single atoms during CO oxidation experiments. Thus, the observed CO oxidation has contributions from both single Pd atoms and Pd particles.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Controlling saturation to improve per- and polyfluoroalkyl substance (PFAS) removal in biochar-amended stormwater bioretention systems

Black carbon-amended bioretention systems are an increasingly popular strategy for the removal of organic contaminants, including poly- and perfluoroalkyl substances (PFASs) and other trace organic contaminants (TOrCs), from urban stormwater. Many PFASs preferentially accumulate at the air–water interface, but detention time requirements for stormwater bioretention systems typically result in full saturation of the bioretention systems, effectively removing their air–water interfaces. This study assessed the effect of bioretention system saturation on removal of PFASs, metals, and hydrophilic TOrCs. A field-aged mixture of 40% v/v sand, 30% v/v zeolite, and 30% v/v biochar was packed into columns which were operated with hydraulic controls to remain unsaturated or fully saturated throughout the duration of the experiment. Twenty-four storm events sized to a 95th percentile storm at a California, United States military site were simulated using synthetic stormwater fortified with aqueous film forming foam-derived PFASs, TOrCs, and metals to mimic real-world conditions. Unsaturated conditions outperformed saturated conditions for removal of all PFASs analyzed. A simulated inadvertent system perturbation (i.e. flooding event) in the unsaturated columns did not result in significantly greater mobilization of PFAS mass, suggesting that more sorption to the biochar occurred as a result of the transient retention of PFASs at the air–water interface reducing kinetic sorption limitations. Overall, maintaining unsaturated conditions in a biofilter may extend the sorptive filter lifetime for PFASs by up to 83%. The results have implications for bioretention system application and design for PFAS removal in contaminated catchment areas.

13 HYDRO ENERGY↗
DOE OSTI2025

Expansion dynamics of femtosecond laser-induced plasmas: Influence of thermophysical plasma properties

This study investigates the expansion dynamics of femtosecond laser-induced plasmas, emphasizing the impact of plasma thermophysical properties and ambient gas composition. Through shadowgraphy experiments and multiphase computational fluid dynamics (CFD) simulations, the influence of parameters such as heat capacity, molecular weight, and thermal conductivity on plume morphology, shockwave evolution, and energy dissipation mechanisms is examined. A mixture multiphase model is implemented to capture the interaction between the plasma and the surrounding gas. Simulation results reveal that plasma expansion is strongly inertia-driven. Results show that differences in plasma properties and ambient conditions affect the shape and temperature distribution of the expanding plume. The early-stage dynamics are primarily dictated by pressure forces, whereas thermal and viscous effects play a growing role in the plume's behavior during later stages of expansion. The CFD findings show the necessity of accurate initial condition characterization, including crater geometry and plasma pressure and temperature, for reliable modeling of plasma evolution in laser ablation processes.

CFD modeling↗