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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics

Reactive Molecular Dynamics (MD) and Density Functional Theory (DFT) computations are performed to provide insight into the effects of external electrostatic fields on hydrocarbon reaction kinetics. By comparing the results from MD and DFT, the suitability of the MD method in modeling electrodynamics is first assessed. Results show that the electric field-induced polarization predicted by the MD charge equilibration method is in good agreement with various DFT charge partitioning schemes. Then, the effects of oriented external electric fields on the transition pathways of non-redox reactions are investigated. Results on the minimum energy path suggest that electric fields can cause catalysis or inhibition of oxidation reactions, whereas pyrolysis reactions are not affected due to the weaker electronegativity of the hydrogen and carbon atoms. MD simulations of isolated reactions show that the reaction kinetics is also affected by applied external Lorentz forces and interatomic Coulomb forces since they can increase or decrease the energy of collision depending on the molecular conformation. In addition, electric fields can affect the kinetics of polar species and force them to align in the direction of field lines. These effects are attributed to energy transfer via intermolecular collisions and stabilization under the external Lorentz force. The kinetics of apolar species is not significantly affected mainly due to the weak induced dipole moment even under strong electric fields. The dynamics and reaction rates of species are studied by means of large-scale combustion simulations of n-dodecane and oxygen mixtures. Results show that under strong electric fields, the fuel, oxidizer, and most product molecules experience translational and rotational acceleration mainly due to close charge transfer along with a reduction in their vibrational energy due to stabilization. This study will serve as a basis to improve the current methods used in MD and to develop novel methodologies for the modeling of macroscale reacting flows under external electrostatic fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Analysis of Environmentally Friendly Refrigerant Options for Window Air Conditioners

This paper presents a technical assessment of environmentally friendly refrigerants as alternatives to R410A for window air conditioners. The alternative refrigerants that are studied for its replacement include R32, a mixture of R32/R125 with 90%/10% molar concentration, R600a, R290, R1234yf, R1234ze and R134a. Baseline experiments were performed on a window unit charged with R410A. The heat pump design model (HPDM) was modified and calibrated with the baseline data and was used to evaluate the comparative performance of the WAC with alternative refrigerants. The paper discusses the advantages and disadvantages of each refrigerants and their suitability for window air conditioners. Among all the refrigerants studied, R32 offers the best efficiency and the lowest Global Warming Potential (GWP), and hence its use will result in the overall environmental friendliness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Ignition delay time and CO time-history measurements in a shock tube during high performance jet fuel surrogate combustion

The chemical kinetics of diisobutylene, a proposed biofuel, has been studied behind reflected shock waves near 10 atm over a temperature range of 1186 – 1414 K. A stoichiometric mixture consisting of 0.15% diisobutylene was used to investigate ignition behavior and speciation during oxidation experiments performed in a shock tube. Time resolved measurements of carbon monoxide were measured behind reflected shock waves with a continuous wave quantum cascade laser centered at a frequency of 2046.20 cm^-1 using a fixed-wavelength spectroscopy scheme.

09 BIOMASS FUELS↗
DOE OSTI2021

Overview of Algorithms for Using Particle Morphology in Pre-Detonation Nuclear Forensics

A major goal in pre-detonation nuclear forensics is to infer the processing conditions and/or facility type that produced radiological material. This review paper focuses on analyses of particle size, shape, texture (“morphology”) signatures that could provide information on the provenance of interdicted materials. For example, uranium ore concentrates (UOC or yellowcake) include ammonium diuranate (ADU), ammonium uranyl carbonate (AUC), sodium diuranate (SDU), magnesium diuranate (MDU), and others, each prepared using different salts to precipitate U from solution. Once precipitated, UOCs are often dried and calcined to remove adsorbed water. The products can be allowed to react further, forming uranium oxides UO3, U3O8, or UO2 powders, whose surface morphology can be indicative of precipitation and/or calcination conditions used in their production. This review paper describes statistical issues and approaches in using quantitative analyses of measurements such as particle size and shape to infer production conditions. Statistical topics include multivariate t tests (Hotelling’s T 2 ), design of experiments, and several machine learning (ML) options including decision trees, learning vector quantization neural networks, mixture discriminant analysis, and approximate Bayesian computation (ABC). ABC is emphasized as an attractive option to include the effects of model uncertainty in the selected and fitted forward model used for inferring processing conditions.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1981

The infrared spectrum of ammonia hydrate - Explanation for a reported ammonia phase

A number of anomalous spectra of solid NH3 deposited from the vapor phase have appeared in the literature. These spectra have been ascribed to a new phase of NH3. In the experiment reported here these anomalous spectra were reproduced by depositing a thin film from a mixture of gaseous NH3 and H2O and annealing this film at a temperature of 162 K. The thin film spectra showed excellent agreement with recent data on NH3.H2O. The anomalous 'NH3' spectra are, therefore, seen to be caused by H2O contamination of solid NH3 with formation of NH3 hydrate.

Still, G.↗
NASA NTRS1995

Combustion of two-component miscible droplets in reduced gravity

This research focuses on the combustion of binary miscible droplets initially in the mm size range. Experiments are performed using the NASA Lewis 2.2 sec drop tower in Cleveland, Ohio, where mixtures of alkanes and/or alcohols are studied. The fuel components are selected to have significantly different volatilities. Initial oxygen mole fractions from about 0.15-0.5 and initial pressures from 0.2-2 atm are employed. Different inerts are used (He, CO2, Ar, N2) to change burning rates and sooting behaviors. Objectives are to observe the following: (1) Transient droplet diameters (including three-staged combustion behaviors and microexplosion; (2) Transient flow behaviors (sudden flame contraction, luminosity, extinction); and (3) Behaviors of observable soot particles. theoretical and computational research in support of this program has also been undertaken. This research includes analytical studies to determine the effects of small but nonzero gravitational levels on droplet gasification, analytical studies of hydrodynamic stability of spherically-symmetrical droplet gasification (to address the question as to whether spherically-symmetrical droplet gasification may be destabilized from capillary, i.e., Marangoni effects), and computational modeling of effects of capillary stresses on droplet gasification.

Shaw, Benjamin D.↗
NASA NTRS1999

Hydrous pyrolysis of polycyclic aromatic hydrocarbons and implications for the origin of PAH in hydrothermal petroleum

Polycyclic aromatic hydrocarbons (PAH) are found at high concentrations in thermally altered organic matter and hydrothermally generated petroleum from sediment-covered seafloor hydro-thermal systems. To better understand the factors controlling the occurrence of PAH in thermally altered environments, the reactivities of two PAH, phenanthrene and anthracene, were investigated in hydrothermal experiments. The compounds were heated with water at 330 degrees C in sealed reaction vessels for durations ranging from 1 to 17 days. Iron oxide and sulfide minerals, formic acid, or sodium for-mate were included in some experiments to vary conditions within the reaction vessel. Phenanthrene was unreactive both in water alone and in the presence of minerals for up to 17 days, while anthracene was partially hydrogenated (5-10%) to di- and tetrahydroanthracene. In the presence of 6-21 vol % formic acid, both phenanthrene and anthracene reacted extensively to form hydrogenated and minor methylated derivatives, with the degree of hydrogenation and methylation increasing with the amount of formic acid. Phenanthrene was slightly hydrogenated in sodium formate solutions. The hydrogenation reactions could be readily reversed; heating a mixture of polysaturated phenanthrenes resulted in extensive dehydrogenation (aromatization) after 3 days at 330 degrees C. While the experiments demonstrate that reaction pathways for the hydrogenation of PAH under hydrothermal conditions exist, the reactions apparently require higher concentrations of H2 than are typical of geologic settings. The experiments provide additional evidence that PAH may be generated in hydrothermal systems from progressive aromatization and dealkylation of biologically derived polycyclic precursors such as steroids and terpenoids. Furthermore, the results indicate that PAH initially present in sediments or formed within hydrothermal systems are resistant to further thermal degradation during hydrothermal alteration.

NASA Discipline Exobiology↗
NASA NTRS2018

Forming Perchlorates on Mars Through Plasma Chemistry During Dust Events

We report experimental evidences to support a new formation mechanism, multiphase redox plasma chemistry, for perchlorate on Mars observed during the Phoenix mission, whose high concentrations and high ClO4/Cl ratio cannot be fully interpreted by photochemistry. This chemical reaction occurs between Cl-bearing minerals on the Mars surface and free radicals generated by electrostatic discharge (ESD) during Mars dust events (dust storms, dust devils, and grain saltation). We conducted simulated ESD experiments in a Mars chamber with pure CO2, CO2+H2O(g), and Mars Simulate Gas Mixture at Martian atmospheric pressure. We directly observed (1) the instantaneous generation of atmospheric free radicals CO2+, CO+, OI, HIII, HII, OH, ArI, N2, and N2+in normal glow discharge (NGD), detected by in situ plasma emission spectroscopy, and O3by UV and Mid-IR spectroscopy; (2) the fast transformation of NaCl to NaClO3and NaClO4detected by laser Raman spectroscopy, with oxychlorine enrichment at the sample surfaces confirmed by ion chromatography. Through two sets of experimental comparison, we found that the oxidation power of ESD-electron is three orders of magnitude higher than that of UVC-photon. We scaled our experimental results to the modeled ESD in Mars dust events and Mars surface UV radiation level, and concluded that plasma chemistry occurred during Mars dust events can be an additional important formation mechanism for the large amounts of perchlorates observed during various missions to Mars.

Wu, Zhongchen↗
DOE OSTI2016

Data from: Can the results of biodiversity-ecosystem productivity studies be translated to bioenergy production?

Biodiversity experiments show that increases in plant diversity can lead to greater biomass production, and some researchers suggest that high diversity plantings should be used for bioenergy production. However, many methods used in past biodiversity experiments are impractical for bioenergy plantings. For example, biodiversity experiments often use intensive management such as hand weeding to maintain low diversity plantings and exclude unplanted species, but this would not be done for bioenergy plantings. Also, biodiversity experiments generally use high seeding densities that would be too expensive for bioenergy plantings. Here we report the effects of biodiversity on biomass production from two studies of more realistic bioenergy crop plantings in southern Michigan, USA. One study involved comparing production between switchgrass (Panicum virgatum) monocultures and species-rich prairie plantings on private farm fields that were managed similarly to bioenergy plantings. The other study was an experiment where switchgrass was planted in monoculture and in combination with increasingly species-rich native prairie mixtures. Overall, we found that bioenergy plantings with higher species richness did not produce more biomass than switchgrass monocultures. The lack of a positive relationship between planted species richness and production in our studies may be due to several factors. Non-planted species (weeds) were not removed from our studies and these non-planted species may have competed with planted species and also prevented realized species richness from equaling planted species richness. Also, we found that low seeding density of individual species limited the biomass production of these individual species. Production in future bioenergy plantings with high species richness may be increased by using a high density of inexpensive seed from switchgrass and other highly productive species, and future efforts to translate the results of biodiversity experiments to bioenergy plantings should consider the role of seeding density.

09 BIOMASS FUELS↗
DOE OSTI2015

Can the Results of Biodiversity-Ecosystem Productivity Studies Be Translated to Bioenergy Production?

Biodiversity experiments show that increases in plant diversity can lead to greater biomass production, and some researchers suggest that high diversity plantings should be used for bioenergy production. However, many methods used in past biodiversity experiments are impractical for bioenergy plantings. For example, biodiversity experiments often use intensive management such as hand weeding to maintain low diversity plantings and exclude unplanted species, but this would not be done for bioenergy plantings. Also, biodiversity experiments generally use high seeding densities that would be too expensive for bioenergy plantings. Here we report the effects of biodiversity on biomass production from two studies of more realistic bioenergy crop plantings in southern Michigan, USA. One study involved comparing production between switchgrass (Panicum virgatum) monocultures and species-rich prairie plantings on private farm fields that were managed similarly to bioenergy plantings. The other study was an experiment where switchgrass was planted in monoculture and in combination with increasingly species-rich native prairie mixtures. Overall, we found that bioenergy plantings with higher species richness did not produce more biomass than switchgrass monocultures. The lack of a positive relationship between planted species richness and production in our studies may be due to several factors. Non-planted species (weeds) were not removed from our studies and these non-planted species may have competed with planted species and also prevented realized species richness from equaling planted species richness. Also, we found that low seeding density of individual species limited the biomass production of these individual species. Finally, production in future bioenergy plantings with high species richness may be increased by using a high density of inexpensive seed from switchgrass and other highly productive species, and future efforts to translate the results of biodiversity experiments to bioenergy plantings should consider the role of seeding density.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Application of 'Six Sigma{sup TM}' and 'Design of Experiment' for Cementation - Recipe Development for Evaporator Concentrate for NPP Ling AO, Phase II (China) - 12555

Cementation of radioactive waste is a common technology. The waste is mixed with cement and water and forms a stable, solid block. The physical properties like compression strength or low leach ability depends strongly on the cement recipe. Due to the fact that this waste cement mixture has to fulfill special requirements, a recipe development is necessary. The Six Sigma{sup TM}' DMAIC methodology, together with the Design of experiment (DoE) approach, was employed to optimize the process of a recipe development for cementation at the Ling Ao nuclear power plant (NPP) in China. The DMAIC offers a structured, systematical and traceable process to derive test parameters. The DoE test plans and statistical analysis is efficient regarding the amount of test runs and the benefit gain by getting a transfer function. A transfer function enables simulation which is useful to optimize the later process and being responsive to changes. The DoE method was successfully applied for developing a cementation recipe for both evaporator concentrate and resin waste in the plant. The key input parameters were determined, evaluated and the control of these parameters were included into the design. The applied Six Sigma{sup TM} tools can help to organize the thinking during the engineering process. Data are organized and clearly presented. Various variables can be limited to the most important ones. The Six Sigma{sup TM} tools help to make the thinking and decision process trace able. The tools can help to make data driven decisions (e.g. C and E Matrix). But the tools are not the only golden way. Results from scoring tools like the C and E Matrix need close review before using them. The DoE is an effective tool for generating test plans. DoE can be used with a small number of tests runs, but gives a valuable result from an engineering perspective in terms of a transfer function. The DoE prediction results, however, are only valid in the tested area. So a careful selection of input parameter and their limits for setting up a DoE is very important. An extrapolation of results is not recommended because the results are not reliable out of the tested area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1996

Spectral Irradiance Measurements of Simulated Lightning in Planetary Atmospheres

Optical emissions from lightning provide information to estimate the altitude, latitude and longitude of lightning storms, the energy of the discharges, and the production of important trace species such as HCN and C2H2. Knowledge of the spectra of planetary lightning is needed to deduce the total energy dissipated by lightning (and thereby, the production of trace gases) and to help design experiments to detect and track lightning storms. Measurements of the spectral irradiance from approximately 380 to 820 nm are reported for laboratory simulations of lightning in the atmospheres of Venus, Jupiter, and Titan. In our laboratory, laser-induced plasmas (LIP) are used to simulate lightning discharges. This technique avoids contamination of the spectra by elect-ode material and maintains a safe environment while allowing the use of flammable gases, such as hydrogen and methane, found in outer planet atmospheres. The observations were made at I and 5 bars pressure for Venus and Jupiter and at 1 bar for the Titan mixture. At a pressure of one bar, our results show prominent lines from H(sub alpha), H(sub beta), H(sub gamma), and H(sub delta) lines of the Balmer Series of atomic hydrogen, a single line from Helium at 588 nm and strong continuum radiation. At pressures of 5 bars, the H(sub alpha) and H(sub beta) lines are wider, the H(sub gamma), and H(sub delta) lines merge into the continuum because of pressure broadening, and the helium line at 588 nm is no longer visible. The observed spectra of simulated lightning in the venusian atmosphere at 1 and 5 bars shows that the OI multiplet at 777.7 nm dominates the spectra, but weak features due to atomic carbon and singly excited and singly ionized oxygen atoms are also visible. Although lightning has not yet been observed on Titan, it conceivable that some form of lightning discharge could be occurring. Therefore experiments on a Titan atmosphere mixture were conducted. The most prominent features seen in the simulated spectra are the H(sub alpha) at 656 nm. from the dissociation of the methane and two strong features at 740 and 820 nm from singly excited nitrogen atoms. Most of the features between 400 and 656 nm are due to ionized nitrogen atoms. A broad, highly structured feature centered near 389 nm is molecular band radiation from CN molecules formed in the cooling plasma of atomic nitrogen, carbon, and hydrogen. It is observed in the lightning simulations of both the venusian and Titan atmospheres, For Venus, Jupiter, and Titan, narrow spectral features that are ideal for detecting lightning in the presence of sunlight are present in the spectra. These features could allow lightning to be detected and tracked by Earth-based instruments.

Borucki, W. J.↗
DOE OSTI2025

Final Design for Additional Thermal/Epithermal eXperiments (TEX) with Sodium Chloride Absorbers to Provide Validation Benchmarks for TerraPower

The first set of Thermal/Epithermal eXperiments (TEX) with chlorine absorbers (TEX-Cl) were executed in Q4FY24 and are in the process of being benchmarked for the ICSBEP. TEX-Cl builds upon the TEX-HEU baseline cases that were published in the 2022 International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. TEX-HEU, like TEX-Pu, was designed to be modular to allow for the incorporation of various absorbers and reflectors to test nuclear data and application case needs. For example, TEX-HEU with hafnium (TEX-Hf) utilizes hafnium plates as both absorbers and reflectors, depending on the tested configuration. A second set of chlorine experiments, dubbed More TEX-Cl, are laid out in this report to meet the needs of TerraPower for chlorine validation for their Molten Chloride Fast Reactor (MCFR) systems. TerraPower’s Molten Chloride Reactor Experiment (MCRE) and MCFR are fast molten salt reactors that utilize sodium chloride (NaCl) salt eutectics as the fuel and coolant. The MCRE eutectic is a mixture of NaCl and uranium trichloride (UCl 3 ). An abundant need for chlorine absorption validation has been expressed by multiple members of the community, including Y-12 (whose needs were addressed with the first set of experiments), LANL (whose needs were addressed with the Chlorine Worth Study (CWS)), TerraPower, institute de radioprotection et de sûreté nucléaire (IRSN), Savannah River Nuclear Solutions (SNRS), and others. Of the members who have expressed interest in this validation, most are interested in the fast neutron energy region, where the 35 Cl(n,p) reaction is most prominent. New 35 Cl(n,p) differential cross section measurements performed by LANL at LANCSE show substantial changes to the cross sections (Figure 1) and may be validated through these experiments as some configurations are optimally sensitive to this cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1982

Oxidation of SO2 by NO2 and air in an aqueous suspension of carbon

A series of experiments has been performed using carbon black as a surrogate for soot particles. Carbon black was suspended in water and gas mixtures were bubbled into the suspensions to observe the effect of carbon particles on the oxidation of SO2 by air and NO2. Identical gas mixtures were bubbled into a black containing only pure water. After exposure each solution was analyzed for pH and sulfate. It was found that NO2 greatly enhances the oxidation of SO2 to sulfate in the presence of carbon black. The amount of sulfate in the blanks was significantly less. Under the conditions of the experiments no saturation of the reaction was observed and SO2 was converted to sulfate even in a highly acid medium (pH not less than 1.5).

Rogowski, R. S.↗
DOE OSTI2017

Isotope effects on L-H threshold and confinement in tokamak plasmas

The dependence of plasma transport and confinement on the main hydrogenic ion isotope mass is of fundamental importance for understanding turbulent transport and, therefore, for accurate extrapolations of confinement from present tokamak experiments, which typically use a single hydrogen isotope, to burning plasmas such as ITER, which will operate in deuterium–tritium mixtures. Knowledge of the dependence of plasma properties and edge transport barrier formation on main ion species is critical in view of the initial, low-activation phase of ITER operations in hydrogen or helium and of its implications on the subsequent operation in deuterium–tritium. The favourable scaling of global energy confinement time with isotope mass, which has been observed in many tokamak experiments, remains largely unexplained theoretically. Moreover, the mass scaling observed in experiments varies depending on the plasma edge conditions. In preparation for upcoming deuterium–tritium experiments in the JET tokamak with the ITER-like Be/W Wall (JET-ILW), a thorough experimental investigation of isotope effects in hydrogen, deuterium and tritium plasmas is being carried out, in order to provide stringent tests of plasma energy, particle and momentum transport models. Recent hydrogen and deuterium isotope experiments in JET-ILW on L-H power threshold, L-mode and H-mode confinement are reviewed and discussed in the context of past and more recent isotope experiments in tokamak plasmas, highlighting common elements as well as contrasting observations that have been reported. The experimental findings are discussed in the context of fundamental aspects of plasma transport models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1997

Gas Chromatographic Detectors for Exobiology Flight Experiments

Exobiology flight experiments require highly sensitive instrumentation for in situ chemical analysis of the volatile chemical species that occur in the atmospheres and surfaces of various bodies within the solar system. The complex mixtures encountered place a heavy burden on the analytical instrumentation to detect and identify all species present. Future missions to Mars', comets, or planetary moons such as Europa, will perform experiments with complex analyses. In addition, instrumentation for such missions must perform under severely restricted conditions with limited resources. To meet these analytical requirements, improved methods and highly sensitive yet smaller instruments must continually be developed with increasingly greater capabilities. We describe here efforts to achieve this objective, for past and future missions, through the development of new or the improvement of existing sensitive, miniaturized gas chromatographic detectors.

Kojiro, Daniel R.↗
DOE OSTI2014

Enhanced x-ray emissions from Au-Gd mixture targets ablated by a high-power nanosecond laser

As an important x-ray source, enhancement of x-ray emissions from laser-produced plasmas is imperative for various applications. High-Z Au-Gd mixture targets are proposed to enhance the laser to x-ray conversion efficiency compared to pure Au target. In the experiments, a 1 ns frequency-tripled (351 nm wavelength) laser light was used to obtain an intensity of 3×10{sup 14} W/cm{sup 2} on the targets. The x-ray spectra, total absolute x-ray emissions of all space, M-band fraction and backscattering from pure Au and Au-Gd mixture have been measured, respectively. It is shown that the absolute laser to x-ray conversion efficiency for the Au-Gd mixture containing 60% gold by atom is 47.7%, which has a 15% enhancement compared with that of the pure Au target. The experimental results are consistent with the radiation hydrodynamic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗