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NASA NTRS1982

Non-isothermal effects on SO2 absorption by water droplets. I - Model development. II - Results and discussion

An analytic model of SO2 absorption in a falling water droplet is developed and a simulation of SO2 washout is performed. Nonisothermic effects on drop growth, droplet physical parameters, reaction rates, and multicomponent diffusion are treated in the model. The gas-liquid interface is assumed to be at equilibrium, and interfacial resistance is negligible. Raindrops are simulated as falling from a 2 km height through an atmospheric region containing SO2. The droplets decrease in size from evaporation and cooling, and their slightly basic pH aids SO2 absorption. The simulation indicates higher SO2 absorption at higher altitudes, and desorption may occur at ground level. Isothermal effects are concluded to be significant, and quantification of effects will depend on further modelling.

Reda, M.↗

DOE OSTI2023

An analytic and complete equation of state for condensed phase materials

Analytic equations of state (EOS) are intended to reproduce theoretical and experimental data in a single phase portion of the thermodynamic space. We devise a complete and thermodynamically consistent model with four distinct features: (1) a reference isotherm that remains thermodynamically stable, (2) a flexible specific heat model based on a fourth-order rational polynomial, (3) a Grüneisen parameter that depends on specific volume and temperature, and (4) pressure and internal energy functions that can be inverted analytically in temperature. The model aims to improve the accuracy of existing equations of state while remaining computationally efficient. To demonstrate its features, we include calibrations for single-crystal pentaerythritol tetranitrate (PETN), liquid nitromethane (NM), and hexagonal close-packed beryllium (Be) metal. The parameter optimization uses the specific heat capacity, Grüneisen parameter, and static compression curves obtained from density functional theory for the crystalline solids and molecular dynamics simulations for liquid NM. We also present a velocity autocorrelation function that yields accurate phonon densities of states for the EOS calibration from the molecular dynamics trajectories. Each of the three calibrations is constrained to enforce the ambient state from experimental measurements and validated against experimental Hugoniot data from multiple sources. We also include one-dimensional hydrodynamic simulations of the isentropic compression experiments for beryllium conducted at the Z facility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2000

Sunyaev-Zeldovich Effect-Derived Distances to the High-Redshift Clusters

We determine the distances to the z approximately equals 0.55 galaxy clusters MS 0451.6 - 0305 and Cl 0016 + 16 from a maximum-likelihood joint fit to interferometric Sunyaev-Zeldovich effect (SZE) and X-ray observations. We model the intracluster medium (ICM) using a spherical isothermal beta model. We quantify the statistical and systematic uncertainties inherent to these direct distance measurements, and we determine constraints on the Hubble parameter for three different cosmologies. For an Omega(sub M) = 0.3, Omega(sub lambda) = 0.7 cosmology, these distances imply a Hubble constant of 63(sup +12) (sub -9) (sup + 21) (sub -21) km/s Mp/c, where the uncertainties correspond to statistical followed by systematic at 68% confidence. The best-fit H(sub 0) is 57 km/s Mp/c for an open (Omega(sub M) = 0.3) universe and 52 km/s Mp/c for a flat (Omega(sub M) = 1) universe.

Reese, Erik D.↗

NASA NTRS2002

Determining the Cosmic Distance Scale from Interferometric Measurements of the Sunyaev-Zel'Dovich Effect

The distances to eighteen galaxy clusters are determined, with redshifts ranging from z approx. 0.14 to z approx. 0.78 from a maximum likelihood joint analysis of 30 GHz interferometric Sunyaev-Zel'dovich effect (SZE) and X-ray observations. We model the intracluster medium (ICM) using a spherical isothermal beta model. We quantify the statistical and systematic uncertainties inherent to these direct distance measurements, and we determine constraints on the Hubble parameter for three different cosmologies. These distances imply a Hubble constant of 60((sup +4+13)(sub -4-18)) km s(exp -1) megaparsec(exp -1) for an Omega(sub M) = 0.3, Omega(sub Lambda) = 0.7 cosmology, where the uncertainties correspond to statistical followed by systematic at 68% confidence. With a sample of eighteen clusters, systematic uncertainties clearly dominate. The systematics are observationally approachable and will be addressed in the coming years through the current generation of X-ray satellites (Chandra & XMIM-Newton) and radio observatories (OVRO (Owens Valley Radio Observatory), BIMA (Berkeley Illinois Maryland Association), & VLA (Very Large Array)). Analysis of high redshift clusters detected in future SZE and X-ray surveys will allow a determination of the geometry of the universe from SZE determined distances.

Reese, Erik D.↗

NASA NTRS2002

Determining the Cosmic Distance Scale from Interferometric Measurements of the Sunyaev-Zeldovich Effect

We determine the distances to 18 galaxy clusters with redshifts ranging from z approximately 0.14 to 0.78 from a maximum likelihood joint analysis of 30 GHz interferometric Sunyaev-Zeldovich effect (SZE) and X-ray observations. We model the intracluster medium (ICM) using a spherical isothermal Beta model. We quantify the statistical and systematic uncertainties inherent to these direct distance measurements, and we determine constraints on the Hubble parameter for three different cosmologies. These distances imply a Hubble constant of 60(sup+4+13)(sub-4-18)km s(exp -1)Mpc(exp -1) for an omega(sub Mu)= 0.3,omega(sub Lambda)=0.7 cosmology, where the uncertainties correspond to statistical followed by systematic at 68% confidence. With a sample of 18 clusters, systematic uncertainties clearly dominate. The systematics are observationally approachable and will be addressed in the coming years through the current generation of X-ray satellites (Chandra and XMM-Newton) and radio observatories (Owens Valley Radio Observatory, Berkeley-Illinois-Maryland Association, and Very Large Array). Analysis of high-redshift clusters detected in future SZE and X-ray surveys will allow a determination of the geometry of the universe from SZE-determined distances.

Reese, Erik D.↗

DOE OSTI2021

Interface pinning causes the hysteresis of the hydride transformation in binary metal hydrides

Hydriding and dehydriding transitions in bulk and nanocrystalline binary metal hydrides were studied using the Pd-H model system by measuring pressure-composition isotherms with in situ x-ray diffractometry. Nanocrystalline Pd showed a smaller pressure hysteresis, solvus hysteresis, and hysteresis in lattice parameter, compared to bulk Pd. The time-dependence of pressure equilibration was measured after dosing with aliquots of hydrogen, giving equilibration times that were much faster in the single-phase regions than in the two-phase plateaus. In the broad two-phase plateaus, the pressure relaxations were exponential functions of time. An explanation of hysteresis is developed that is based on a dissipative potential barrier that impedes the motion of the interface due to interactions between lattice defects and the two-phase interface. The exponential pressure relaxations and hysteresis are consistent for this mechanism. For a simple model of the pinning potential, the potential barrier maximum is an order of magnitude less than typical grain boundary energies. These pinning effects are substantially different in the nanocrystalline Pd, suggesting differences in the hydriding mechanism.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Effects of elevated temperature on the viscoplastic modeling of graphite/polymeric composites

To support the development of new materials for the design of next generation supersonic transports, a research program is underway at NASA to assess the long term durability of advanced polymer matrix composites (PMC's). One of main objectives of the program was to explore the effects of elevated temperature (23 to 200 C) on the constitutive model's material parameters. To achieve this goal, test data on the observed nonlinear, stress-strain behavior of IM7/5260 and IM7/8320 composites under tension and compression loading were collected and correlated against temperature. These tests, conducted under isothermal conditions using variable strain rates, included such phenomena as stress relaxation and short term creep. The second major goal was the verification of the model by comparison of analytical predictions and test results for off axis and angle ply laminates. Correlation between test and predicted behavior was performed for specimens of both material systems over a range of temperatures. Results indicated that the model provided reasonable predictions of material behavior in load or strain controlled tests. Periods of loading, unloading, stress relaxation, and creep were accounted for.

Gates, Thomas S.↗

NASA NTRS2000

Sunyaev-Zel'dovich Effect Derived Distance to the High Redshift Clusters MS 0451.6-0305 and CL 0016+16

We determine the distances to the z approximately equal to 0.55 galaxy clusters MS 0451.6-0305 and CL 0016+16 from a maximum likelihood joint fit to interferometric Sunyaev-Zel'dovich effect (SZE) and X-ray observations. We model the intracluster medium (ICM) using a spherical isothermal beta-model. We quantify the statistical and systematic uncertainties inherent to these direct distance measurements, and we determine constraints on the Hubble parameter for three different cosmologies. For an OmegaM = 0.3, OmegaL = 0.7 cosmology, these distances imply a Hubble constant of 63(exp 12)(sub -9)(exp +21)(sub -21) km/s/Mpc, where the uncertainties correspond to statistical followed by systematic at 68% confidence. The best fit H(sub o) is 57 km/sec/Mpc for an open OmegaM = 0.3 universe and 52 km/s/Mpc for a flat Omega = 1 universe.

Reese, E. D.↗

NASA NTRS1995

A study of cooling flows in poor clusters of galaxies

We observed three poor clusters with central dominant galaxies (AWM 4, MKW 4, and MKW 3's) using the Position Sensitive Proportional Counter on the ROSAT X-ray satellite. The images reveal smooth, symmetrical X-ray emission filling the cluster with a sharp peak on each central galaxy. The cluster surface brightness profiles can be decomposed using superposed King models for the central galaxy and the intracluster medium. The King model parameters for the cluster portions are consistent with previous observations of these clusters. The newly measured King model parameters for the central galaxies are typical of the X-ray surface brightness distributions of isolated elliptical galaxies. Spatially resolved temperature measurements in annular rings throughout the clusters show a nearly isothermal profile. Temperatures are consistent with previously measured values, but are much better determined. There is no significant drop in temperature noted in the innermost bins where cooling flows are likely to be present, nor is any excess absorption by cold gas required. All cold gas columns are consistent with galactic foreground absorption. We derive mass profiles for the clusters assuming both isothermal temperature profiles and cooling flow models with constant mass flow rates. Our results are consistent with previous Einstein IPC observations by Kriss, Cioffi, & Canizares, but extend the mass profiles out to 1 Mpc in these poor clusters.

Kriss, Gerard A.↗

NASA NTRS1972

Lunar ash flows - Isothermal approximation.

Suggestion of the ash flow mechanism as one of the major processes required to account for some features of lunar soil. First the observational background and the gardening hypothesis are reviewed, and the shortcomings of the gardening hypothesis are shown. Then a general description of the lunar ash flow is given, and a simple mathematical model of the isothermal lunar ash flow is worked out with numerical examples to show the differences between the lunar and the terrestrial ash flow. The important parameters of the ash flow process are isolated and analyzed. It appears that the lunar surface layer in the maria is not a residual mantle rock (regolith) but a series of ash flows due, at least in part, to great meteorite impacts. The possibility of a volcanic contribution is not excluded. Some further analytic research on lunar ash flows is recommended.

Pai, S. I.↗

NASA NTRS2005

On Modeling Air/Space-Borne Radar Returns in the Melting Layer

The bright band is the enhanced radar echo associated with the melting of hydrometeors in stratiform rain where the melting process usually occurs below 0 C isotherm over a distance of about 500m. To simulate this radar signature, a scattering model of melting snow is proposed in which the fractional water content is prescribed as a function of the radius of a spherical mixed- phase particle consisting of air, ice and water. The model is based on the observation that melting starts at the surface of the particle and then gradually develops towards the center. To compute the scattering parameters of a non-uniform melting particle, the particle is modeled as a sphere represented by a collection of 64(exp 3) cubic cells of identical size where the probability of water at any cell is prescribed as a function of the radius. The internal field of the particle, used for deriving the effective dielectric constant, is computed by the Conjugate Gradient and Fast Fourier Transform (CGFFT) numerical methods. To make computations of the scattering parameters more efficient, a multi-layer stratified-sphere scattering model is introduced after demonstrating that the scattering parameters of the non-uniformly melting particle can be accurately reproduced by the stratified sphere. In conjunction with a melting layer model that describes the melting fractions and fall velocities of hydrometeors as a function of the distance from the 0 C isotherm, the stratified-sphere model is used to simulate the radar bright band profiles. These simulated profiles are shown to compare well with measurements from the Precipitation Radar (PR) aboard the Tropical Rainfall Measuring Mission (TRMM) satellite and a dual-wavelength airborne radar. The results suggest that the proposed model of a melting snow particle may be useful in studying the characteristics of the bright-band in particular and mixed- phase hydrometeors in general.

Liao, Liang↗

DOE OSTI2019

Hydrogen Uptake Kinetics of 1,4-Bis(phenylethynyl)benzene (DEB) Rubberized Coating on Silicone Foam Substrate

The hydrogen uptake kinetics of 1,4-bis(phenylethynyl)benzene, or DEB, mixed with palladium (Pd) on activated carbon in a rubber matrix coating on top of a porous silicone foam substrate are investigated. First, isothermal isobaric hydrogenation experiments were performed under different temperatures and H 2 pressures to extract the uptake kinetics. The H 2 uptake models based on the measured kinetic parameters were then employed to investigate/simulate the performance of the getter under dynamic application environments. The actual hydrogenation characteristics in this type of getter is multifaceted and involve actual H 2 concentration in the getter matrix, micrometer scale diffusion of atomic hydrogen away from Pd sites, precipitation of hydrogenated DEB crystals at the coating surfaces, and mobility of fresh DEB molecules. The kinetic analysis/modeling methodology described in this report can serve as a template for other gas-solid reactions as well. Aside from possessing a good hydrogen capacity and excellent performance, this type of rubberized getter also offers some unique advantages over traditional solid getter: flexible structure and protection of Pd catalyst from exposure to the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Fracture mechanics criteria for turbine engine hot section components

The application of several fracture mechanics data correlation parameters to predicting the crack propagation life of turbine engine hot section components was evaluated. An engine survey was conducted to determine the locations where conventional fracture mechanics approaches may not be adequate to characterize cracking behavior. Both linear and nonlinear fracture mechanics analyses of a cracked annular combustor liner configuration were performed. Isothermal and variable temperature crack propagation tests were performed on Hastelloy X combustor liner material. The crack growth data was reduced using the stress intensity factor, the strain intensity factor, the J integral, crack opening displacement, and Tomkins' model. The parameter which showed the most effectiveness in correlation high temperature and variable temperature Hastelloy X crack growth data was crack opening displacement.

Meyers, G. J.↗

DOE OSTI2023

Engineered Polymer Architectures for Thermo–Responsive Desiccants in Dehumidification Applications

Humidity control is relevant to many processes in buildings and manufacturing and is responsible for over 600 million tons of CO 2 annually. As such, desiccants that can efficiently remove moisture from air can greatly reduce emissions. A new class of desiccant materials, thermo–responsive desiccants, has been of increased interest in the literature. These materials are generally based on thermo–responsive polymers and exhibit a temperature–dependent isotherm, an attribute that is small in traditional desiccants. In this work, seven key parameters needed to create an effective thermo–responsive polymer desiccant are identified using a combination of modeling and experimental data. Further, it is found that more thermo–responsiveness is not necessarily better for energy efficiency, and that an optimal, “medium” value is desired. Additionally, polymer composition and architecture play key roles in adjusting the seven key parameters. Finally, based on findings from both modeling and experimental work, guidelines on synthesizing future thermo–responsive polymer desiccants are presented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1978

Does the emission measure decrease during the start of a soft X-ray flare

It is suggested that the apparent emission dip found in soft X-ray flare observations, interpreted as the emission from a single temperature plasma, is an artifact. According to this hypothesis, the flare phenomenon represents a combination of flare plus a stable active region plasma. A small amount of hot flare plasma will dominate the total emission, and the calculated isothermal plasma parameters will trend towards those of the hot flare plasma, so that a decrease in emission measure will be inferred. It is claimed that observed data fit the model of a stable plasma plus a flare plasma better than it does the model of a single plasma, in accordance with a chi square statistic. The model of stable plasma plus flare plasma is also supported by the observation that the plasma parameters in the postflare condition are indistinguishable from those during preflare.

Wolfson, C. J.↗

NASA NTRS1983

Turbulent Combustor Flowfield Investigation

The 2-D axisymmetric geometries under low speed, nonreacting, turbulent, swirling flow conditions were investigated. The effect of the parameters on isothermal flowfield patterns, time mean velocities and turbulence quantities is determined and an improved simulation in the form of a computer prediction code equipped with a suitable turbulence model is established. This is a prerequisite to the prediction of more complex turbulent reacting flows.

Lilley, D. G.↗

NASA NTRS2021

X-ray Emission from Magnetized Neutron Star Atmospheres at Low Mass Accretion Rates

Recent observations of X-ray pulsars at low luminosities allow, for the first time, to compare theoretical models for the emission from highly magnetized neutron star atmospheres at low mass accretion rates ( M ≲ 10(exp 15) g s(exp -1)) with the broadband X-ray data. The purpose of this paper is to investigate the spectral formation in the neutron star atmosphere at low M and to conduct a parameter study of physical properties of the emitting region. We obtain the structure of the static atmosphere, assuming that Coulomb collisions are the dominant deceleration process. The upper part of the atmosphere is strongly heated by the braking plasma, reaching temperatures of 30–40 keV, while its denser isothermal interior is much cooler (~2 keV). We numerically solve the polarized radiative transfer in the atmosphere with magnetic Compton scattering, free-free processes, and non-thermal cyclotron emission due to possible collisional excitations of electrons. The strongly polarized emitted spectrum has a double-hump shape that is observed in low-luminosity X-ray pulsars. A low-energy “thermal” component is dominated by extraordinary photons that can leave the atmosphere from deeper layers due to their long mean free path at soft energies. We find that a high-energy component is formed due to resonant Comptonization in the heated non-isothermal part of the atmosphere even in the absence of collisional excitations. The latter, however, affect the ratio of the two components. A strong cyclotron line originates from the optically thin, uppermost zone. A fit of the model to NuSTAR and Swift/XRT observations of GX304􀀀1 provides an accurate description of the data with reasonable parameters. The model can thus reproduce the characteristic double-hump spectrum observed in low-luminosity X-ray pulsars and provides insights into spectral formation.

X-Ray binaries↗

DOE OSTI2025

Gas and dust dynamics in γ Cephei-type disks

Context. Giant planets are observed orbiting the primary stars of close binary systems. Such planets may have formed in compact circumprimary disks, which once surrounded these stars, under conditions much different than those encountered around single stars. Aims. In order to quantify the effects of the strong gravitational perturbations exerted on circumprimary disk material, the three-dimensional (3D) dynamics of gas and dust in orbit around the primary star of a compact and eccentric binary system was modeled by applying the stellar and orbital parameters of γ Cephei, a well-known system that can be representative of a class of close binaries. Methods. Circumprimary gas was approximated as an Eulerian viscous and compressible fluid and modeled by means of 3D hydrodynamical simulations, assuming locally isothermal conditions in the medium around the primary star. Dust grains were modeled as Lagrangean particles, subjected to gravity and aerodynamic drag forces. Models that include a giant planet were also considered. Results. Models indicate that spiral density waves excited around pericenter passage propagate toward the inner boundary of the disk, through at least a few pressure scale-heights from the mid-plane, inducing radial and vertical mixing in the gas. However, perturbations imparted to gas, both in terms of eccentricity and precession, are far weaker than previously estimated by two-dimensional (2D) simulations. Models predict small eccentricities, ≲0.03, and slow retrograde precession. The addition of a giant planet does not change the low eccentricity state of the disk. The parameters applied to the disk would lead to the formation of a massive planet, many times the mass of Jupiter, in agreement with some observations. Micron to mm-size dust grains are well coupled to the gas, resulting in similar dynamics and statistically similar distributions of orbital elements. The planet only affects the dust distributions locally. In agreement with outcomes of recent 2D models, the lifetime of an isolated circumprimary disk would be brief, ~10 5 years, because of its compact nature, requiring a long-term external supply of mass to allow for the in situ formation of a giant planet.

79 ASTRONOMY AND ASTROPHYSICS↗