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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Refined Outgassing Model for the LiH/LiOH System

Previous models for H 2 and H 2 O outgassing from moisture exposed LiH specimens were based on temperature programmed desorption/decomposition (TPD) experiments and analyses that yielded kinetic descriptions which were specific to defined sets of initial conditions. Subsequently the inputs to the kinetic models were refined to correlate with infrared spectra of the adsorbed species. In this current enhancement, better agreement between prediction and experiment was obtained through: 1) refining the reaction mechanisms for some of the decomposition reactions; 2) developing the potential range of kinetic parameters by simultaneous fitting of all the TPD outgassing curves obtained at different heating rates; and, 3) limiting the scope of possible kinetic parameters to an optimized subset by matching the outgassing prediction curves at 3 different temperatures to the outcomes from the accurate but cumbersome, non-intuitive, and effort demanding isoconversional analysis.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Decomposition of nitric oxide in a hot nitrogen stream to synthesize air for hypersonic wind tunnel combustion testing

A clean source of high enthalpy air was obtained from the exothermic decomposition of nitric oxide in the presence of strongly heated nitrogen. A nitric oxide jet was introduced into a confined coaxial nitrogen stream. Measurements were made of the extent of mixing and reaction. Experimental results are compared with one- and two-dimensional chemical kinetics computations. Both analyses predict much lower reactivity than was observed experimentally. Inlet nitrogen temperatures above 2400 K were sufficient to produce experimentally a completely reacted gas stream of synthetic air.

Zumdieck, J. F.↗
NASA NTRS1977

Large space erectable structures - building block structures study

A modular planar truss structure and a long slender boom concept identified as building block approaches to construction of large spacecraft configurations are described. The concepts are compatible in weight and volume goals with the Space Transportation System, use standard structural units, and represent high on-orbit productivity in terms of structural area or beam length. Results of structural trade studies involving static and dynamic analyses of a single module and rigid body deployment analyses to assess kinetics and kinematics of automatic deployment of the building block modules are presented.

Armstrong, W. H.↗
NASA NTRS1985

Physical processes in prediction of explosive maritime cyclogenesis

Explosive maritime cyclogenetic events are usually aligned with the warm currents off the east coasts of Japan and the U.S. One such event occurred during FGGE in an area which featured good instrumented ship and aircraft coverage. The UCLA 4th order GMC was employed to generate predictions of the event for comparisons with the real-world data. FGGE III-b data were used to initialize the model calculations. Attention was directed to the physical processes causing the onset of the cyclogenesis, particularly the heat budgets of the fluxes involved. The diabatic heating was observed to be equivalent to the horizontal temperature advection. The main source of energy around the cyclone center was identified as the conversion of energy from static energy to kinetic energy. Further analyses of similar events are required if the present results are to be validated.

Liou, C.-S.↗
DOE OSTI2014

Mathematical simulation of the amplification of 1790-nm laser radiation in a nuclear-excited He – Ar plasma containing nanoclusters of uranium compounds

The possibility of applying dusty active media in nuclearpumped lasers has been considered. The amplification of 1790-nm radiation in a nuclear-excited dusty He – Ar plasma is studied by mathematical simulation. The influence of nanoclusters on the component composition of the medium and the kinetics of the processes occurring in it is analysed using a specially developed kinetic model, including 72 components and more than 400 reactions. An analysis of the results indicates that amplification can in principle be implemented in an active laser He – Ar medium containing 10-nm nanoclusters of metallic uranium and uranium dioxide. (lasers)

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Interaction between Al and atomic layer deposited (ALD) ZrN under high-energy heavy ion irradiation

Uranium-molybdenum (U-Mo) particles dispersed in an aluminum matrix is the most promising candidate fuel to convert high-power research and test reactors in Europe from using high-enriched to using low-enriched fuel. However, chemical interaction between the U-Mo and the Al matrix leads to undesirable fuel behavior. Zirconium nitride (ZrN) is used as a diffusion barrier between the U-Mo fuel particles and the Al matrix. To understand the potential microstructural evolution of ZrN during irradiation, a high-energy heavy ion (84 MeV Xe) irradiation experiment was performed on atomic layer deposited (ALD) nanocrystalline ZrN deposited on an Al plate. A fluence of 1.86 x 10 17 ions/cm 2 , or 90.3 dpa was reached during this experiment. Both analytic transmission electron microscopy (TEM) and synchrotron microbeam X-ray diffraction (ARD) techniques were utilized to investigate the kinetics of radiation-induced grain growth of ZrN at various radiation doses based on the Williamson-Hall analyses. The grain growth kinetics can be described by a power law expression, D n - D$n\atop{0}$ = K phi, with n = 5.1. The Al-ZrN interaction products (Al 3 Zr and AIN) created by radiation-induced ballistic mixing/radiation-enhanced diffusion and their corresponding formation mechanism were determined from electron diffraction and elemental composition analysis. These experimental results were confirmed by first principle thermodynamic density functional theory (DFT) calculations. The results from this ion irradiation study were also compared to in-pile irradiation data from physical vapor deposited (PVD) ZrN samples for a comprehensive evaluation of the interaction between Al and ZrN and its influence on diffusion barrier performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Residual elastic strain evolution due to thermal cycling of a ceramic-metal composite (WC-Cu) via high energy X-ray diffraction and analytical modeling

Residual stress, when superimposed with in-service loading, can significantly reduce the lifetime and performance of a component. Ceramic-metal composites are susceptible to residual stresses due to the thermal expansion mismatch of the ceramic and metallic phases. The WC-Cu composite explored in the present study provides a promising combination of thermal conductivity and strength properties, while exhibiting counterintuitive improvements in strength and ductility after thermal cycling. Further, this work quantifies the evolution of the residual elastic strains as a result of processing and cyclic thermal loading in a co-continuous WC-Cu composite through experimental high energy X-ray diffraction and kinetics-based modeling. Both analyses indicate that processing-induced residual tensile stress in the copper phase is relieved upon subsequent thermal cycling, with kinetics modeling revealing the cyclic-dependent nature of the active power-law creep mechanisms. The results indicate that, through stress relaxation, this material system maintains structural stability during thermal cycling. The illustrated kinetics of relaxation can inform general material processors and designers of ceramic-metal composites to minimize detrimental residual stress and improve performance of these material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Biomass char gasification kinetic rates compared to data, including ash effects

This investigation provides both experimental and theoretical analyses of biomass char gasification kinetics over 1150–1350 °C in the environment of CO 2 , H 2 O and combinations of these reactants. The experimental data include continuous measurements of particle mass, external and internal temperatures, shape, and size with periodic but not continuous measurements of char porosity, pore size distribution, and pore surface area. The model describes heterogeneous char gasification for poplar wood, corn stover and switchgrass in different shapes and industrially relevant sizes (12.5 mm and smaller). Nonlinear least-squares regression produces optimized power-law model parameters for global kinetics that describe biomass char gasification with respect to both CO 2 and H 2 O separately and in combination. A single set of kinetic parameters describes reaction rates for all three fuels. Model simulations agree with measured data at all stages of char conversion even though the observed mass loss rates change significantly with conversion. In conclusion, the change in rate with conversion depends strongly on ash content, and this investigation provides a simple and theoretically based reaction rate expression that includes the effect of inert ash occupying an increasing portion of the reactive surface with increased conversion.

09 BIOMASS FUELS↗
DOE OSTI2011

Controlled positions and kinetic analysis of spontaneous tin whisker growth

This study achieved controlling the positions of spontaneous growth of tin whiskers. We surmounted the unpredictable growing nature of such whiskers and performed accurately quantitative analyses of the growth kinetics and yielded precise measurement of the growth rate. Furthermore, using synchrotron radiation x-ray, this study determined the stress variations in conjunction with whisker growth that fitted appropriately to the model. Accordingly, the results could address the debate held for decades and prove that forming a surface oxide layer is one of the required and necessary conditions for controlling the positions of spontaneous growth of tin whiskers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Protein folding from heterogeneous unfolded state revealed by time-resolved X-ray solution scattering

One of the most challenging tasks in biological science is to understand how a protein folds. In theoretical studies, the hypothesis adopting a funnel-like free-energy landscape has been recognized as a prominent scheme for explaining protein folding in views of both internal energy and conformational heterogeneity of a protein. Despite numerous experimental efforts, however, comprehensively studying protein folding with respect to its global conformational changes in conjunction with the heterogeneity has been elusive. Here we investigate the redox-coupled folding dynamics of equine heart cytochrome c (cyt-c) induced by external electron injection by using time-resolved X-ray solution scattering. A systematic kinetic analysis unveils a kinetic model for its folding with a stretched exponential behavior during the transition toward the folded state. With the aid of the ensemble optimization method combined with molecular dynamics simulations, we found that during the folding the heterogeneously populated ensemble of the unfolded state is converted to a narrowly populated ensemble of folded conformations. These observations obtained from the kinetic and the structural analyses of X-ray scattering data reveal that the folding dynamics of cyt-c accompanies many parallel pathways associated with the heterogeneously populated ensemble of unfolded conformations, resulting in the stretched exponential kinetics at room temperature. This finding provides direct evidence with a view to microscopic protein conformations that the cyt-c folding initiates from a highly heterogeneous unfolded state, passes through still diverse intermediate structures, and reaches structural homogeneity by arriving at the folded state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Chemical Kinetics of the TPS and Base Bleeding During Flight Test

The present research deals with thermal degradation of polyurethane foam (PUF) during flight test. Model of thermal decomposition was developed that accounts for polyurethane kinetics parameters extracted from thermogravimetric analyses and radial heat losses to the surrounding environment. The model predicts mass loss of foam, the temperature and kinetic of release of the exhaust gases and char as function of heat and radiation loads. When PUF is heated, urethane bond break into polyol and isocyanate. In the first stage, isocyanate pyrolyses and oxidizes. As a result, the thermo-char and oil droplets (yellow smoke) are released. In the second decomposition stage, pyrolysis and oxidization of liquid polyol occur. Next, the kinetics of chemical compound release and the information about the reactions occurring in the base area are coupled to the CFD simulations of the base flow in a single first stage motor vertically stacked vehicle configuration. The CFD simulations are performed to estimate the contribution of the hot out-gassing, chemical reactions, and char oxidation to the temperature rise of the base flow. The results of simulations are compared with the flight test data.

Osipov, Viatcheslav↗
DOE OSTI2015

Oxidation characteristics of gasoline direct-injection (GDI) engine soot: Catalytic effects of ash and modified kinetic correlation

In this paper, experimental analyses are conducted into the GDI soot oxidation characteristics as dependent on engine operating conditions. Soot is sampled at various engine operating conditions of a commercial 2.4 L GDI engine with a naturally aspirated, homogeneous, and stoichiometric operation strategy. The oxidation reactivity, ash composition, and carbon nanostructure of the GDI soot samples are analyzed using thermogravimetric analysis (TGA), scanning electron microscope–energy-dispersive spectroscopy (SEM-EDS), high-resolution transmission electron microscopy (HR-TEM), and Raman spectroscopy. Based on the analyses, a global GDI soot oxidation mechanism is proposed which includes the effects of soluble organic fractions (SOF)/weakly bonded carbon (WBC), and three types of ash on GDI soot oxidation. The results show that GDI soot contains an order of magnitude higher ash fraction than does conventional diesel soot, and oxidation reactivity is significantly enhanced by the catalytic effects of ash, as a function of ash content in soot. A modified empirical kinetic correlation for GDI soot oxidation is suggested on the basis of the results, and the modified kinetic correlation predicts the GDI soot oxidation rate accurately for various engine operation points at wide ranges of soot conversion and temperature without modifying kinetic parameters. The kinetic parameters are determined from isothermal and non-isothermal thremogravimetric analysis (TGA) soot oxidation tests; the methods are elucidated in detail.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Origin of Rapid Delithiation In Secondary Particles Of LiNi 0.8 Co 0.15 Al 0.05 O 2 and LiNi y Mn z Co 1− y − z O 2 Cathodes

Abstract Most research on the electrochemical dynamics in materials for high‐energy Li‐ion batteries has focused on the global behavior of the electrode. This approach is susceptible to misleading analyses resulting from idiosyncratic kinetic conditions, such as surface impurities inducing an apparent two‐phase transformation within LiNi 0.8 Co 0.15 Al 0.05 O 2 . Here, nano‐focused X‐ray probes are used to measure delithiation operando at the scale of secondary particle agglomerates in layered cathode materials during charge. After an initial latent phase, individual secondary particles undergo rapid, stochastic, and largely uniform delithiation, which is in contrast with the gradual increase in cell potential. This behavior reproduces across several layered oxides. Operando X‐ray microdiffraction (‐XRD) leverages the relationship between Li content and lattice parameter to further reveal that rate acceleration occurs between Li‐site fraction ( x Li ) ≈0.9 and ≈0.5 for LiNi 0.8 Co 0.15 Al 0.05 O 2 . Physics‐based modeling shows that, to reproduce the experimental results, the exchange current density ( i 0 ) must depend on x Li , and that i 0 should increase rapidly over three orders of magnitude at the transition point. The specifics and implications of this jump in i 0 are crucial to understanding the charge‐storage reaction of Li‐ion battery cathodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Transition state stabilization depends on solvent identity, pore size, and hydrophilicity for epoxidations in zeolites

Ti-silicates activate H 2 O 2 to form Ti-hydroperoxo and Ti-peroxo intermediates that can react with alkenes to form epoxide products. Comparisons of kinetics for 1-octene epoxidation with H 2 O 2 on Ti-BEA and Ti-MFI catalysts with different hydrophilicities in methanol (CH 3 OH) or acetonitrile (CH 3 CN) solvents show the significance of the solvent for stabilizing catalytically-relevant species and the complex interdependencies between solvent, catalyst topology, and hydrophilicity. Epoxidation turnover rates are higher in CH 3 CN than CH 3 OH for Ti-BEA, but the opposite trend is observed for Ti-MFI. Ti-silicates with greater silanol densities, however, give greater epoxidation turnover rates than their hydrophobic counterparts in both solvents. Kinetic, spectroscopic, and thermodynamic analyses show that differences in turnover rates mainly arise from changes in the stabilization of reactive surface species by solvent mediated interactions, because the mechanism of the reaction and stability of the fluid-phase reactants remain similar in CH 3 CN and CH 3 OH. Specifically, apparent activation free energy values ($ΔG^{‡}_{App}$) indicate that surface intermediates responsible for alkene epoxidation are stabilized to a greater extent in CH 3 CN on Ti-BEA and in CH 3 OH on Ti-MFI. Hydrophilic Ti-silicates present lower ($ΔG^{‡}_{App}$) values regardless of solvent identity, which suggests that these differences correspond to the number of hydrogen-bonding solvent molecules found near reactive species bound to Ti active sites. Finally, taken together, these findings demonstrate the role of solvent molecules in allowing reactive intermediates to recognize the properties of active sites beyond the length-scale of covalent bonds, which carry implications for epoxidation but also other reactions within solvent-filled pores of microporous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Risk assessment of coccidostatics during feed cross-contamination: Animal and human health aspects

Coccidiosis, an intestinal plasmodium infection, is a major infectious disease in poultry and rabbits. Eleven different coccidiostats are licensed in the EU for the prevention of coccidiosis in these animal species. According to their chemical nature and main biological activity, these compounds can be grouped as ionophoric (monensin, lasalocid sodium, salinomycin, narasin, maduramicin and semduramicin) or non-ionophoric (robenidine, decoquinate, nicarbazin, diclazuril, and halofuginone) substances. Coccidiostats are used as feed additives, mixed upon request into the compounded feed. During the technical process of commercial feed production, cross-contamination of feed batches can result in the exposure of non-target animals and induce adverse health effects in these animals due to a specific sensitivity of mammalian species as compared to poultry. Residue formation in edible tissues of non-target species may result in unexpected human exposure through the consumption of animal products. This review presents recent risk assessments performed by the Scientific Panel on Contaminants in the Food Chain (CONTAM) of the European Food Safety Authority (EFSA). The health risk to non-target species that would result from the consumption of cross-contaminated feed with coccidostats at levels of 2, 5 or 10% was found to be negligible for most animal species with the exception of salinomycin and monensin in horses because of the particular sensitivity for which toxicity may occur when cross-contamination exceeds 2% and 5% respectively. Kinetic data and tissue analyses showed that residues of coccidiostats may occur in the liver and eggs in some cases. However, the level of residues of each coccidiostat in edible animal tissues remained sufficiently low that the aggregate exposure of consumers would not exceed the established acceptable daily intake (ADI) of each coccidiostat. It could be concluded that technical cross-contamination of animal feeds would not be expected to adversely affect the health of consumers.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Isolation and phase-space energization analysis of the instabilities in collisionless shocks

We analyse the generation of kinetic instabilities and their effect on the energization of ions in non-relativistic, oblique collisionless shocks using a 3D-3V (three spatial with three velocity components) simulation by dHybridR, a hybrid particle-in-cell code. At sufficiently high Mach number, quasi-perpendicular and oblique shocks can experience rippling of the shock surface caused by kinetic instabilities arising from free energy in the ion velocity distribution due to the combination of the incoming ion beam and the population of ions reflected at the shock front. To understand the role of the ripple on particle energization, we devise a new instability isolation method to identify the unstable modes underlying the ripple and interpret the results in terms of the governing kinetic instability. We generate velocity-space signatures using the field–particle correlation technique to look at energy transfer in phase space from the isolated instability driving the shock ripple, providing a viewpoint on the different dynamics of distinct populations of ions in phase space. Together, the field–particle correlation technique and our new instability isolation method provide a unique viewpoint on the different dynamics of distinct populations of ions in phase space and allow us to completely characterize the energetics of the collisionless shock under investigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

SOLAR WIND PROTONS AT 1 AU: TRENDS AND BOUNDS, CONSTRAINTS AND CORRELATIONS

The proton temperature anisotropy in the solar wind exhibits apparent bounds which are compatible with the theoretical constraints imposed by temperature-anisotropy-driven kinetic instabilities. Recent statistical analyses based on conditional averaging indicate that near these theoretical constraints the solar wind protons typically have enhanced temperatures and a weaker collisionality. Here we carefully analyze the solar wind data and show that these results are a consequence of superposition of multiple correlations in the solar wind, namely, they mostly result from the correlation between the proton temperature and the solar wind velocity and from the superimposed anti-correlation between the proton temperature anisotropy and the proton parallel beta in the fast solar wind. Colder and more collisional data are distributed around temperature isotropy whereas hotter and less collisional data have a wider range of the temperature anisotropy anti-correlated with the proton parallel beta with signatures of constraints owing to the temperature-anisotropy-driven instabilities. However, most of the hot and weakly collisional data, including the hottest and least collisional ones, lies far from the marginal stability regions. Consequently, we conclude that there is no clear relation between the enhanced temperatures and instability constraints and that the conditional averaging used for these analyses must be used carefully and need to be well tested.

79 ASTRONOMY AND ASTROPHYSICS↗