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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Two-layer convective heating prediction procedures and sensitivities for blunt body reentry vehicles

This paper provides a description of procedures typically used to predict convective heating rates to hypersonic reentry vehicles using the two-layer method. These procedures were used to compute the pitch-plane heating distributions to the Apollo geometry for a wind tunnel test case and for three flight cases. Both simple engineering methods and coupled inviscid/boundary layer solutions were used to predict the heating rates. The sensitivity of the heating results in the choice of metrics, pressure distributions, boundary layer edge conditions, and wall catalycity used in the heating analysis were evaluated. Streamline metrics, pressure distributions, and boundary layer edge properties were defined from perfect gas (wind tunnel case) and chemical equilibrium and nonequilibrium (flight cases) inviscid flow-field solutions. The results of this study indicated that the use of CFD-derived metrics and pressures provided better predictions of heating when compared to wind tunnel test data. The study also showed that modeling entropy layer swallowing and ionization had little effect on the heating predictions.

Bouslog, Stanley A.↗
DOE OSTI2017

Structural Rearrangement of Au–Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study

The structure, composition, and atomic distribution of nanoalloys under operating conditions are of significant importance for their catalytic activity. In the present work, ab initio molecular dynamics simulations are performed to understand the structural behavior of a Au-Pd nanoalloy supported on rutile TiO2 under different conditions. We find that the Au-Pd structure is strongly dependent on the redox properties of the support, originating from strong metal-support interactions. Under reducing conditions, Pd atoms are inclined to move toward the metal/oxide interface, evidenced by a significant increase of Pd-Ti bonds. This could be attributed to the charge localization at the interface that leads to Coulomb attractions to positively charged Pd atoms. In contrast, Pd atoms would rather stay inside the nanoparticle or on the alloy surface under oxidizing conditions. Moreover, Pd atoms on can be stabilized by hydrogen adsorption, forming Pd-H bonds, which are stronger than Au-H bonds. Our work provides an important insight into the structure design of Pd-Au nanoalloy catalyst and may lead to potential applications in dioxygen activation processes where Pd atoms are generally considered to be the active sites.

Xu, Cong-Qiao↗
NASA NTRS1967

Theoretical Study of Natural Convection Flows in Closed-End Cylindrical Vessels Final Report

This study is concerned with the analytical solutions of natural convection flows in closed-end cylindrical vessels to obtain exact solutions of temperature and velocity distribution in the laminar flow region under steady state condition. The temperature and velocity distributions, in general power series of displacements, are substituted into the three basic equations of continuity, momentum and energy. The relationships between coefficients of all powers are obtained through initial and boundary conditions and recurrence formulae. For constant wall temperature conditions the general solution of temperature and velocity may be expressed as a function of displacement, geometry ratio and Rayleigh number. Prandtl number does not enter as an independent parameter.

Convective flow↗
NASA NTRS1975

Flow characteristics of various swirl-can module designs

Flow measurements were performed on each of six swirl-can combustor module designs under simulated combustor operating conditions to find the design which exhibited a small recirculation zone, intense air mixing, and good fuel distribution in its wake. Conditions that are favorable for producing low oxides of nitrogen emissions and high combustion efficiency were investigated. The recirculation zone, the turbulence intensity and the fuel distribution pattern are obtained in the wake region of the center module of a three module array. The most promising swirl-can module design incorporates two air swirlers which discharge air in opposite directions (contraswirl), mixes the fuel and air upstream of the inner swirler, and has a flow area blockage of 64.3% for the three module array.

Mularz, E. J.↗
DOE OSTI2017

Simulation of an intracavity Q -switched optical parametric oscillator using rate equations

Based on rate equations we have refined the model of an intracavity Q -switched optical parametric oscillator (IOPO) by taking into account the influence of self-Raman stimulated scattering. The rate equations are solved and analysed in the plane-wave approximation for a Gaussian spatial beam distribution profile under various conditions. The spatial rate equations are also solved numerically for a beam with a field distribution of the TEM{sub 00} mode. The numerical analysis shows that stimulated self-Raman scattering leads to a decrease in the output signal power and an increase in the signal pulse width. This model allows one to predict that the output signal power can be increased with increasing ratio of Raman to fundamental photon lifetimes. This suggests a practical method for determining the self-Raman gain coefficient experimentally. In addition, a multi-pulse process for the signal beam of the IOPO can be regenerated by the presented model. However, in comparison with the previous research, the presented model is more accurate and allows one to design and optimise single-resonator IOPOs.The bibliography includes 25 references. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Water network-mediated, electron-induced proton transfer in [C{sub 5}H{sub 5}N ⋅ (H{sub 2}O){sub n}]{sup −} clusters

The role of proton-assisted charge accommodation in electron capture by a heterocyclic electron scavenger is investigated through theoretical analysis of the vibrational spectra of cold, gas phase [Py ⋅ (H{sub 2}O){sub n=3−5}]{sup −} clusters. These radical anions are formed when an excess electron is attached to water clusters containing a single pyridine (Py) molecule in a supersonic jet ion source. Under these conditions, the cluster ion distribution starts promptly at n = 3, and the photoelectron spectra, combined with vibrational predissociation spectra of the Ar-tagged anions, establish that for n > 3, these species are best described as hydrated hydroxide ions with the neutral pyridinium radical, PyH{sup (0)}, occupying one of the primary solvation sites of the OH{sup −}. The n = 3 cluster appears to be a special case where charge localization on Py and hydroxide is nearly isoenergetic, and the nature of this species is explored with ab initio molecular dynamics calculations of the trajectories that start from metastable arrangements of the anion based on a diffuse, essentially dipole-bound electron. These calculations indicate that the reaction proceeds via a relatively slow rearrangement of the water network to create a favorable hydration configuration around the water molecule that eventually donates a proton to the Py nitrogen atom to yield the product hydroxide ion. The correlation between the degree of excess charge localization and the evolving shape of the water network revealed by this approach thus provides a microscopic picture of the “solvent coordinate” at the heart of a prototypical proton-coupled electron transfer reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

The role of hydrogen thermalization in shaping the Lyman-alpha coma

Two interrelated aspects of the thermalization of cometary hydrogen were addressed using a three-dimensional Monte Carlo particle trajectory model: photochemical heating of the coma and the velocity distribution of cometary hydrogen leaving the inner coma that produces the extended Lyman-alpha coma. Observed cometary conditions were examined, ranging from productive comets like Kohoutek at very small heliocentric distances to intrinsically small comets like Giacobini-Zinner at 1 AU. The collisional decoupling of hydrogen yields bulk flow speeds and gas temperatures which are smaller than generally predicted in hydrodynamic models. By properly including these conditions the hydrogen velocity distribution required to produce the observed Lyman-alpha coma can be derived naturally. The two-dimensional morphology of the H coma is diagnostic of the physical conditions in the inner coma.

Combi, Michael R.↗
NASA NTRS2014

NASA Numerical and Experimental Evaluation of UTRC Low Emissions Injector

Computational and experimental analyses of a PICS-Pilot-In-Can-Swirler technology injector, developed by United Technologies Research Center (UTRC) are presented. NASA has defined technology targets for near term (called "N+1", circa 2015), midterm ("N+2", circa 2020) and far term ("N+3", circa 2030) that specify realistic emissions and fuel efficiency goals for commercial aircraft. This injector has potential for application in an engine to meet the Pratt & Whitney N+3 supersonic cycle goals, or the subsonic N+2 engine cycle goals. Experimental methods were employed to investigate supersonic cruise points as well as select points of the subsonic cycle engine; cruise, approach, and idle with a slightly elevated inlet pressure. Experiments at NASA employed gas analysis and a suite of laser-based measurement techniques to characterize the combustor flow downstream from the PICS dump plane. Optical diagnostics employed for this work included Planar Laser-Induced Fluorescence of fuel for injector spray pattern and Spontaneous Raman Spectroscopy for relative species concentration of fuel and CO2. The work reported here used unheated (liquid) Jet-A fuel for all fuel circuits and cycle conditions. The initial tests performed by UTRC used vaporized Jet-A to simulate the expected supersonic cruise condition, which anticipated using fuel as a heat sink. Using the National Combustion Code a PICS-based combustor was modeled with liquid fuel at the supersonic cruise condition. All CFD models used a cubic non-linear k-epsilon turbulence wall functions model, and a semi-detailed Jet-A kinetic mechanism based on a surrogate fuel mixture. Two initial spray droplet size distribution and spray cone conditions were used: (1) an initial condition (Lefebvre) with an assumed Rosin-Rammler distribution, and 7 degree Solid Spray Cone; and (2) the Boundary Layer Stripping (BLS) primary atomization model giving the spray size distribution and directional properties. Contour and line plots are shown in comparison with experimental data (where this data is available) for flow velocities, fuel, and temperature distribution. The CFD results are consistent with experimental observations for fuel distribution and vaporization. Analysis of gas sample results, using a previously-developed NASA NOx correlation, indicates that for sea-level takeoff, the PICS configuration is predicted to deliver an EINOx value of about three for the targeted supersonic aircraft. Emissions results at supersonic cruise conditions show potential for meeting the NASA goals with liquid fuel.

Hicks, Yolanda R.↗
NASA NTRS2014

NASA Numerical and Experimental Evaluation of UTRC Low Emissions Injector

Computational and experimental analyses of a PICS-Pilot-In-Can-Swirler technology injector, developed by United Technologies Research Center (UTRC) are presented. NASA has defined technology targets for near term (called "N+1", circa 2015), midterm ("N+2", circa 2020) and far term ("N+3", circa 2030) that specify realistic emissions and fuel efficiency goals for commercial aircraft. This injector has potential for application in an engine to meet the Pratt & Whitney N+3 supersonic cycle goals, or the subsonic N+2 engine cycle goals. Experimental methods were employed to investigate supersonic cruise points as well as select points of the subsonic cycle engine; cruise, approach, and idle with a slightly elevated inlet pressure. Experiments at NASA employed gas analysis and a suite of laser-based measurement techniques to characterize the combustor flow downstream from the PICS dump plane. Optical diagnostics employed for this work included Planar Laser-Induced Fluorescence of fuel for injector spray pattern and Spontaneous Raman Spectroscopy for relative species concentration of fuel and CO2. The work reported here used unheated (liquid) Jet-A fuel for all fuel circuits and cycle conditions. The initial tests performed by UTRC used vaporized Jet-A to simulate the expected supersonic cruise condition, which anticipated using fuel as a heat sink. Using the National Combustion Code a PICS-based combustor was modeled with liquid fuel at the supersonic cruise condition. All CFD models used a cubic non-linear k-epsilon turbulence wall functions model, and a semi-detailed Jet-A kinetic mechanism based on a surrogate fuel mixture. Two initial spray droplet size distribution and spray cone conditions were used: 1) an initial condition (Lefebvre) with an assumed Rosin-Rammler distribution, and 7 degree Solid Spray Cone; and 2) the Boundary Layer Stripping (BLS) primary atomization model giving the spray size distribution and directional properties. Contour and line plots are shown in comparison with experimental data (where this data is available) for flow velocities, fuel, and temperature distribution. The CFD results are consistent with experimental observations for fuel distribution and vaporization. Analysis of gas sample results, using a previously-developed NASA NOx correlation, indicates that for sea-level takeoff, the PICS configuration is predicted to deliver an EINOx value of about 3 for the targeted supersonic aircraft. Emissions results at supersonic cruise conditions show potential for meeting the NASA goals with liquid fuel.

Hicks, Yolanda R.↗
DOE OSTI2023

Characterization of the aerosol vertical distributions and their impacts on warm clouds based on multi-year ARM observations

Aerosol vertical distribution plays a crucial role in cloud development and thus precipitation since both aerosol indirect and semi-direct effects significantly depend on the relative position of aerosol layer in reference to cloud, but its precise influence on cloud remains unclear. In this study, we integrated multi-year Raman Lidar measurements of aerosol vertical profiles from the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) facility with available Value-Added Products of cloud features to characterize aerosol vertical distributions and their impacts on warm clouds over the continental and marine ARM atmospheric observatories, i.e., Southern Great Plains (SGP) and Eastern North Atlantic (ENA). A unimodal seasonal distribution of aerosol optical depths (AODs) with a peak in summer is found at upper boundary layer over SGP, while a bimodal distribution is observed at ENA for the AODs at lower levels with a major winter-spring maximum. The diurnal mean of upper-level AOD at SGP shows a maximum in the early evening. According to the relative positions of aerosol layers to clouds we further identify three primary types of aerosol vertical distribution, including Random, Decreasing, and Bottom. It is found that the impacts of aerosols on cloud may or may not vary with aerosol vertical distribution depending on environmental conditions, as reflected by the wide variations of the relations between AOD and cloud properties. For example, as AOD increases, the liquid water paths (LWPs) tend to be reduced at SGP but enhanced at ENA. The relations of cloud droplet effective radius with AOD largely depend on aerosol vertical distributions, particularly showing positive values in the Random type under low-LWP condition (<50gm -2 ). In conclusion, the distinct features of aerosol-cloud interactions in relation to aerosol vertical distribution are likely attributed to the continental-marine contrast in thermodynamic environments and aerosol conditions between SGP and ENA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

The stochastic spectator

We study the stochastic distribution of spectator fields predicted in different slow-roll inflation backgrounds. Spectator fields have a negligible energy density during inflation but may play an important dynamical role later, even giving rise to primordial density perturbations within our observational horizon today. During de-Sitter expansion there is an equilibrium solution for the spectator field which is often used to estimate the stochastic distribution during slow-roll inflation. However slow roll only requires that the Hubble rate varies slowly compared to the Hubble time, while the time taken for the stochastic distribution to evolve to the de-Sitter equilibrium solution can be much longer than a Hubble time. We study both chaotic (monomial) and plateau inflaton potentials, with quadratic, quartic and axionic spectator fields. We give an adiabaticity condition for the spectator field distribution to relax to the de-Sitter equilibrium, and find that the de-Sitter approximation is never a reliable estimate for the typical distribution at the end of inflation for a quadratic spectator during monomial inflation. The existence of an adiabatic regime at early times can erase the dependence on initial conditions of the final distribution of field values. In these cases, spectator fields acquire sub-Planckian expectation values. Otherwise spectator fields may acquire much larger field displacements than suggested by the de-Sitter equilibrium solution. We quantify the information about initial conditions that can be obtained from the final field distribution. Our results may have important consequences for the viability of spectator models for the origin of structure, such as the simplest curvaton models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Morphological Characterization of Uranyl Fluoride Particles via Atomic Force Microscopy

Uranium hexafluoride (UF 6 ) undergoes a rapid hydrolysis reaction when exposed to atmospheric water. In addition to producing hazardous HF gas, the hydrolysis reaction produces uranyl fluoride (UO 2 F 2 ), a radioactive solid phase particulate material. Because of the technological utility of UF 6 in the nuclear fuel cycle, understanding the transport properties of UO 2 F 2 aerosol produced via UF 6 hydrolysis is important for accident scenarios. Moreover, the fundamental chemical and physical properties of the UF 6 hydrolysis reaction are not completely understood. Recently, several experiments on the aerosol phase properties of UO 2 F 2 produced in this way have shown that under most relevant conditions, the particle size distribution (PSD) of UO 2 F 2 can be extremely small, approximately 3 to 5 nm, which is well below the threshold that can be routinely observed via scanning electron microscopy (SEM). Although readily observable in the aerosol phase, observation of nanometer-sized particles in the condensed phase (i.e. deposited on surfaces) remains a challenge. Here, in this study, we have used atomic force microscopy (AFM) to study the PSD and morphological characteristics of UO 2 F 2 deposited at low and high concentrations under different humidity conditions, a primary variable in the hydrolysis reaction. Here, we find strong agreement between PSD measured in the aerosol phase via scanning mobility particle sizing and PSD measured via AFM, with particle sizes peaked below 4 nm for low-humidity conditions. At higher humidity, the distribution is centered around 5 to 10 nm but extends up to 20 nm. These results are in stark contrast to previous measurements using SEM that show PSD on the order of 300- to 1000-nm particle sizes; moreover, these are the first direct measurements of individual particles of UO 2 F 2 having been produced via UF 6 hydrolysis deposited on surfaces. These measurements, therefore, open a new avenue for collecting and detecting UO 2 F 2 in the condensed phase and further refine the PSD, which is critical for environmental transport determinations.

Uranium hexafluoride↗
NASA NTRS1984

A fast viscous correction method for full-potential transonic wing analysis

An analysis of the transonic flowfield around a three-dimensional wing is carried out using a strip method. Attention is given to the boundary layer growth in the streamwise direction. A viscous correction technique is defined for the TWING code for solving the full potential equations. A viscous ramp at the base of a shock is superimposed on the boundary layer displacement thickness generated by an integral boundary layer method. A relationship is then obtained between the effective displacement thickness and a vertical component of the surface velocity, a transpirational boundary condition. The viscous correction is found to be unnecessary in weak shock conditions but gives a better shock position and pressure distribution in a strong shock condition when compared with data from an ONERA M6 airfoil and the Hinson and Burdges (1980) Wing A.

Lee, S. C.↗
DOE OSTI2021

(U) A Theoretical Study of Asay Foil Trajectories (V.02)

We consider the trajectory of a generic Asay foil ejecta momentum diagnostic sensor, for scenarios where ejecta are produced at a planar surface and fly ballistically through a perfect vacuum to the sensor. To do so, we build upon a previously established mathematical formalism derived for the analytic study of stationary sensors (i.e., piezopins). First, we derive the momentum conservation equation for the problem, in a form amenable to accelerating sensors, in terms of a generic ejecta source areal mass function (“source model”). This defines an integro-differential equation (IDE) for the foil trajectory. When ejecta production is instantaneous - as is generally assumed in momentum diagnostic data analyses - the IDE leads to an implicit and easily calculable closed-form solution for the foil trajectory in a perfect system, as long as the ejecta particle velocity distribution is twice-integrable. General properties of the instant-production trajectory solution indicate the existence of a boundary condition the particle velocity distribution must satisfy in order for the analytically predicted foil trajectories to be compatible with certain features commonly observed in foil data. This boundary condition is identical to one derived previously from a consideration of piezopin data. Armed with the analytic solution for instant production, we also consider various techniques used to extract time-dependent cumulative ejecta masses from foil trajectories, and derive an expression for the error imposed by using an approximated equation of motion. This analytic trajectory solution furthermore makes it possible to examine the common practice of presenting inferred cumulative ejecta masses as a function of a normalized implied velocity; we derive conditions under which this methodology is and is not meaningful. We also propose a strategy for extending the instant-production trajectory solution to time-dependent source functions.

42 ENGINEERING↗
DOE OSTI2021

Bayesian analysis for estimating statistical parameter distributions of elasto-viscoplastic material models

High temperature design methods rely on constitutive models for inelastic deformation and failure typically calibrated against the mean of experimental data without considering the associated scatter. Variability may arise from the experimental data acquisition process, from heat-to-heat material property variations, or both and need to be accurately captured to predict parameter bounds leading to efficient component design. Applying the Bayesian Markov Chain Monte Carlo (MCMC) method to produce statistical models capturing the underlying uncertainty in the experimental data is an area of ongoing research interest. This work varies aspects of the Bayesian MCMC method and explores their effect on the posterior parameter distributions for a uniaxial elasto-viscoplastic damage model using synthetically generated reference data. From our analysis with the uniaxial inelastic model we determine that an informed prior distribution including different types of test conditions results in more accurate posterior parameter distributions. The parameter posterior distributions, however, do not improve when increasing the number of similar experimental data. Additionally, changing the amount of scatter in the data affects the quality of the posterior distributions, especially for the less sensitive model parameters. Moreover, we perform a sensitivity study of the model parameters against the likelihood function prior to the Bayesian analysis. The results of the sensitivity analysis help to determine the reliability of the posterior distributions and reduce the dimensionality of the problem by fixing the insensitive parameters. The comprehensive study described in this work demonstrates how to efficiently apply the Bayesian MCMC methodology to capture parameter uncertainties in high temperature inelastic material models. Quantifying these uncertainties in inelastic models will improve high temperature engineering design practices and lead to safer, more effective component designs.

42 ENGINEERING↗