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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Establishing structure-sensitivity of ceria reducibility: real-time observations of surface-hydrogen interactions

The first layer of atoms on an oxide catalyst provides the first sites for adsorption of reactants and the last sites before products or oxygen are desorbed. We employ a unique combination of morphological, structural, and chemical analyses of a model ceria catalyst with different surface terminations under an H 2 environment to unequivocally establish the effect of the last layer of atoms on surface reduction. (111) and (100) terminated epitaxial islands of ceria are simultaneously studied in situ allowing for a direct investigation of the structure–reducibility relationship under identical conditions. Kinetic rate constants of Ce 4+ to Ce 3+ transformation and equilibrium concentrations are extracted for both surface terminations. Unlike the kinetic rate constants, which are practically the same for both types of islands, more pronounced oxygen release, and overall higher reducibility were observed for (100) islands compared to (111) ones. The findings are in agreement with coordination-limited oxygen vacancy formation energies calculated by density functional theory. The results point out the important aspect of surface terminations in redox processes, with particular impact on the catalytic reactions of a variety of catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Electronic, magnetic, and optical properties of bulk and (1 1 1)-surfaces of CoMnZnSi quaternary Heusler alloy

The structural stability, electronic structure, and magnetic and optical properties of CoMnZnSi quaternary Heusler alloy (QHA) in the bulk and (1 1 1)-slab forms have been investigated by performing density functional theory (DFT) calculations. Formation and cohesive energies, and elastic constants confirm that the bulk CoMnZnSi is chemically and mechanically stable at an equilibrium lattice parameter of 5.81 Å. The calculated elastic constants also indicate that this QHA has ductile and anisotropic features. We investigate and discuss the bonding behavior from charge density distribution and density of states. Furthermore, these calculations in the bulk phase show a perfect half-metallic behavior with an integer value of magnetic moment (4 µB) and a large spin-flip gap of 0.39 eV. On the other hand, the Co (1 1 1) and Si (1 1 1)-slabs exhibit semi-metallic nature at the Fermi level. These results indicate that CoMnZnSi qualifies for spintronic applications. In the bulk and Co (1 1 1), Zn (1 1 1), and Si (1 1 1)-surfaces, the magnetic moment of Co and Mn atoms are ferromagnetically aligned, while the ferrimagnetic alignment of Co with Mn has been found in Mn (1 1 1)-surface. We also investigate the optimal conductivity, dielectric functions, reflectivity, absorption coefficient, refractive index, and loss function to understand the underlying optical properties of this alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaluating Novel Polymer-Composite Resins for the Ability to Derive Elastic Properties for Explicit Formulations, or to Develop Nonlinear Models Thereof

This project evaluates the ability to derive elastic material properties for novel additively manufactured carbon-polymer matrix materials. Initially stress-strain equilibrium equations were thought to be sufficient to characterize the elastic region of material performance. However, initial test data shows the cured material behaves nonlinearly in the elastic region. To properly determine the elastic performance, additional strain data must be collected in future testing. This paper discusses the initial test data, methods and models used to describe nonlinear elasticity, and the determination of mean elastic material properties, such as Lame’s constants, using the stress-strain equilibrium equations.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Aerothermodynamic methods for a Mars environmental survey Mars entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley aerothermodynamics upwind relaxation algorithm (LAURA) for Mars atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Mars-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Mars-entry conditions characteristics of the Mars environmental survey mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/cm(exp 2). Radiative heating is negligible.

AEROTHERMODYNAMIC METHODS↗
NASA NTRS1993

Aerothermodynamics of a MESUR Martian entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley Aerothermodynamics Upwind Relaxation Algorithm (LAURA) for Martian Atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Martian-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Martian-entry conditions characteristic of the Mars Environmental Survey (MESUR) mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/sq cm. Radiative heating is negligible.

Mitcheltree, R. A.↗
DOE OSTI2024

Quantum real-time evolution of entanglement and hadronization in jet production: Lessons from the massive Schwinger model

The possible link between entanglement and thermalization, and the dynamics of hadronization are addressed by studying the real-time response of the massive Schwinger model coupled to external sources. This setup mimics the production and fragmentation of quark jets, as the Schwinger model and quantum chromodynamics (QCD) share the properties of confinement and chiral symmetry breaking. By using simulations of quantum dynamics on classical hardware, we study the entanglement between the produced jets, and observe the growth of the corresponding entanglement entropy in time. This growth arises from the increased number of contributing eigenstates of the reduced density matrix with sufficiently large and close eigenvalues. We also investigate the physical nature of these eigenstates, and find that at early times they correspond to fermionic Fock states. We then observe the transition from these fermionic Fock states to mesonlike bound states as a function of time. In other words, we observe how hadronization develops in real time. At late times, the local observables at midrapidity (such as the fermion density and the electric field) approach approximately constant values, suggesting the onset of equilibrium and approach to thermalization. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Assemblies of Polyacrylonitrile-Derived Photoactive Polymers as Blue and Green Light Photo-Cocatalysts for Cu-Catalyzed ATRP in Water and Organic Solvents

Photoluminescent nanosized quasi-spherical polymeric assemblies prepared by the hydrothermal reaction of polyacrylonitrile (PAN), ht-PLP PAN , were demonstrated to have the ability to photo-induce atom transfer radical polymerization (ATRP) catalyzed by low, parts per million concentrations of Cu II complex with tris(2-pyridylmethyl)amine (TPMA). Such photo induced ATRP reactions of acrylate and methacrylate monomers were performed in water or organic solvents, using ht-PLP PAN as the photo-cocatalyst under blue or green light irradiation. Mechanistic studies indicate that ht-PLP PAN helps to sustain the polymerization by facilitating the activation of alkyl bromide species by two modes: 1) green or blue light-driven photoreduction of the Cu II catalyst to the activating Cu I form, and 2) direct activation of dormant alkyl bromide species which occurs only under blue light. The photoreduction of the Cu II complex by ht-PLP PAN was confirmed by linear sweep voltammetry performed under illumination. Analysis of the polymerization kinetics in aqueous media indicated even though Cu I complexes comprised only 1–1.4% of all Cu species at equilibrium, they exhibited high activation rate constant and activated the alkyl bromide initiators five to six orders of magnitude faster than ht-PLP PAN .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Theoretical study of H2/+/ spectroscopic properties. II, III

Description of the theoretical spectroscopic properties of the 2p pi/sub u/ and 3d sigma/sub g/ excited states of the H2/+/ hydrogen molecular ion. Numerical integration of the Schrodinger equation is used to determine vibration-rotation eigenvalues. Dunham power series expansions are used to determine the equilibrium separation, potential coefficients, and spectroscopic constants. The eigenvalues are used to determine delta-G, Bv, Dv, and Hv.

Beckel, C. L.↗
NASA NTRS1991

Variational finite element-tensor formulation for the large deflection random vibration of composite plates

A numerical integration routine is derived from a set of unified single step integration algorithms using a weighted satisfaction of the equilibrium equation governing the large deflection random response of laminated composite plates. The equilibrium equation is derived using a constant matrix large deflection finite-element formulation. In-plane inertia terms are considered in the formulation, however, rotary inertia terms are assumed negligible. Probability density, spectral density and autocorrelation functions of the maximum displacement and strain responses are presented for three acoustic excitation levels. Classical thin plate boundary conditions and pseudo white noise excitation are used in this investigation.

Robinson, Jay H.↗
NASA NTRS1992

Users manual for updated computer code for axial-flow compressor conceptual design

An existing computer code that determines the flow path for an axial-flow compressor either for a given number of stages or for a given overall pressure ratio was modified for use in air-breathing engine conceptual design studies. This code uses a rapid approximate design methodology that is based on isentropic simple radial equilibrium. Calculations are performed at constant-span-fraction locations from tip to hub. Energy addition per stage is controlled by specifying the maximum allowable values for several aerodynamic design parameters. New modeling was introduced to the code to overcome perceived limitations. Specific changes included variable rather than constant tip radius, flow path inclination added to the continuity equation, input of mass flow rate directly rather than indirectly as inlet axial velocity, solution for the exact value of overall pressure ratio rather than for any value that met or exceeded it, and internal computation of efficiency rather than the use of input values. The modified code was shown to be capable of computing efficiencies that are compatible with those of five multistage compressors and one fan that were tested experimentally. This report serves as a users manual for the revised code, Compressor Spanline Analysis (CSPAN). The modeling modifications, including two internal loss correlations, are presented. Program input and output are described. A sample case for a multistage compressor is included.

Glassman, Arthur J.↗
NASA NTRS1992

Experimental study of the flow field inside a whirling annular seal

The flow field inside a whirling annular seal was measured using a 3-D Laser Doppler Anemometer (LDA) system. The seal investigated has a clearance of 1.27 mm, a length of 37.3 mm, and is mounted on a drive shaft with a 50 percent eccentricity ratio. This results in the rotor whirling at the same speed as the shaft rotation (whirl ratio = 1.0). The seal is operated at Reynolds number of 12,000 and a Taylor number of 6,300 (3,600 rpm). The 3-D LDA system is equipped with a rotary encoding system which is used to produce phase averaged measurements of the entire mean velocity vector field and Reynolds stress tensor field from 0.13 mm upstream to 0.13 mm downstream of the seal. The mean velocity field reveals a highly three dimensional flow field with large radial velocities near the inlet of the seal as well as a recirculation zone on the rotor surface. The location of maximum mean axial velocity migrates from the pressure side of the rotor at the inlet to the suction side at turbulence kinetic energy. However, turbulence production and dissipation attain equilibrium fairly quickly with remaining relatively constant over the last half of the seal.

Morrison, Gerald L.↗
NASA NTRS1993

Microgravity combustion of dust suspensions

Unlike the combustion of homogeneous gas mixtures, there are practically no reliable fundamental data (i.e., laminar burning velocity, flammability limits, quenching distance, minimum ignition energy) for the combustion of heterogeneous dust suspensions. Even the equilibrium thermodynamic data such as the constant pressure volume combustion pressure and the constant pressure adiabatic flame temperature are not accurately known for dust mixtures. This is mainly due to the problem of gravity sedimentation. In normal gravity, turbulence, convective flow, electric and acoustic fields are required to maintain a dust in suspension. These external influences have a dominating effect on the combustion processes. Microgravity offers a unique environment where a quiescent dust cloud can in principle be maintained for a sufficiently long duration for almost all combustion experiments (dust suspensions are inherently unstable due to Brownian motion and particle aggregation). Thus, the microgravity duration provided by drop towers, parabolic flights, and the space shuttle, can all be exploited for different kinds of dust combustion experiments. The present paper describes some recent studies on microgravity combustion of dust suspension carried out on the KC-135 and the Caravelle aircraft. The results reported are obtained from three parabolic flight campaigns.

Lee, John H. S.↗
NASA NTRS2000

Measurement of the Surface Dilatational Viscosity of an Insoluble Surfactant Monolayer at the Air/Water Interface Using a Pendant Drop Apparatus

When a fluid interface with surfactants is at rest, the interfacial stress is isotropic (as given by the equilibrium interfacial tension), and is described by the equation of state which relates the surface tension to the surfactant surface concentration. When surfactants are subjected to shear and dilatational flows, flow induced interaction of the surfactants; can create interfacial stresses apart from the equilibrium surface tension. The simplest relationship between surface strain rate and surface stress is the Boussinesq-Scriven constitutive equation completely characterized by three coefficients: equilibrium interfacial tension, surface shear viscosity, and surface dilatational viscosity Equilibrium interfacial tension and surface shear viscosity measurements are very well established. On the other hand, surface dilatational viscosity measurements are difficult because a flow which change the surface area also changes the surfactant surface concentration creating changes in the equilibrium interfacial tension that must be also taken into account. Surface dilatational viscosity measurements of existing techniques differ by five orders of magnitude and use spatially damped surface waves and rapidly expanding bubbles. In this presentation we introduce a new technique for measuring the surface dilatational viscosity by contracting an aqueous pendant drop attached to a needle tip and having and insoluble surfactant monolayer at the air-water interface. The isotropic total tension on the surface consists of the equilibrium surface tension and the tension due to the dilation. Compression rates are undertaken slow enough so that bulk hydrodynamic stresses are small compared to the surface tension force. Under these conditions we show that the total tension is uniform along the surface and that the Young-Laplace equation governs the drop shape with the equilibrium surface tension replaced by the constant surface isotropic stress. We illustrate this technique using DPPC as the insoluble surfacant monolayer and measured for it a surface dilatational viscosity in the LE phase that is 20 surface poise.

Lorenzo, Jose↗
NASA NTRS2008

Limit Cycle Analysis Applied to the Oscillations of Decelerating Blunt-Body Entry Vehicles

Many blunt-body entry vehicles have nonlinear dynamic stability characteristics that produce self-limiting oscillations in flight. Several different test techniques can be used to extract dynamic aerodynamic coefficients to predict this oscillatory behavior for planetary entry mission design and analysis. Most of these test techniques impose boundary conditions that alter the oscillatory behavior from that seen in flight. Three sets of test conditions, representing three commonly used test techniques, are presented to highlight these effects. Analytical solutions to the constant-coefficient planar equations-of-motion for each case are developed to show how the same blunt body behaves differently depending on the imposed test conditions. The energy equation is applied to further illustrate the governing dynamics. Then, the mean value theorem is applied to the energy rate equation to find the effective damping for an example blunt body with nonlinear, self-limiting dynamic characteristics. This approach is used to predict constant-energy oscillatory behavior and the equilibrium oscillation amplitudes for the various test conditions. These predictions are verified with planar simulations. The analysis presented provides an overview of dynamic stability test techniques and illustrates the effects of dynamic stability, static aerodynamics and test conditions on observed dynamic motions. It is proposed that these effects may be leveraged to develop new test techniques and refine test matrices in future tests to better define the nonlinear functional forms of blunt body dynamic stability curves.

Schoenenberger, Mark↗
NASA NTRS2010

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Liechty, Derek S.↗
NASA NTRS2001

Partial Pressures of Te2 and Thermodynamic Properties of Ga-Te System

The partial pressures of Te2 in equilibrium with Ga(1-x)Te(x) samples were measured by optical absorption technique from 450 to 1100 C for compositions, x, between 0.333 and 0.612. To establish the relationship between the partial pressure of Te, and the measured optical absorbance, the calibration runs of a pure Te sample were also conducted to determine the Beer's Law constants. The partial pressures of Te2 in equilibrium with the GaTe(s) and Ga2Te3(s)compounds, or the so-called three-phase curves, were established. These partial pressure data imply the existence of the Ga3Te4(s) compound. From the partial pressures of Te2 over the Ga-Te melts, partial molar enthalpy and entropy of mixing for Te were derived and they agree reasonable well with the published data. The activities of Te in the Ga-Te melts were also derived from the measured partial pressures of Te2. These data agree well with most of the previous results. The possible reason for the high activity of Te measured for x less than 0.60 is discussed.

Su, Ching-Hua↗
DOE OSTI2020

Zonally dominated dynamics and Dimits threshold in curvature-driven ITG turbulence

The saturated state of turbulence driven by the ion-temperature-gradient instability is investigated using a two-dimensional long-wavelength fluid model that describes the perturbed electrostatic potential and perturbed ion temperature in a magnetic field with constant curvature (a $Z$ -pinch) and an equilibrium temperature gradient. Numerical simulations reveal a well-defined transition between a finite-amplitude saturated state dominated by strong zonal-flow and zonal temperature perturbations, and a blow-up state that fails to saturate on a box-independent scale. We argue that this transition is equivalent to the Dimits transition from a low-transport to a high-transport state seen in gyrokinetic numerical simulations (Dimits et al. , Phys. Plasmas , vol. 7, 2000, 969). A quasi-static staircase-like structure of the temperature gradient intertwined with zonal flows, which have patch-wise constant shear, emerges near the Dimits threshold. The turbulent heat flux in the low-collisionality near-marginal state is dominated by turbulent bursts, triggered by coherent long-lived structures closely resembling those found in gyrokinetic simulations with imposed equilibrium flow shear (van Wyk et al. , J. Plasma Phys. , vol. 82, 2016, 905820609). The breakup of the low-transport Dimits regime is linked to a competition between the two different sources of poloidal momentum in the system – the Reynolds stress and the advection of the diamagnetic flow by the $\boldsymbol {E}\times \boldsymbol {B}$ flow. By analysing the linear ion-temperature-gradient modes, we obtain a semi-analytic model for the Dimits threshold at large collisionality.

Physics↗