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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Resolving the geometrically necessary dislocation content in severely deformed aluminum by transmission Kikuchi diffraction

Highlights: • Grain fragmentation and steady-state stages occur during HPT processing. • A gradual transformation of LAGBs to HAGBs is characterized in both regimes. • During plastic deformation, dislocations gather collectively as geometrical walls. • The presence of GNDs is more pronounced in the vicinity of already existing HAGBs. • The density of GNDs is greater in the fragmentation stage. - Abstract: In this paper, severe plastic deformation (SPD) is applied to commercially pure aluminum. Monotonic high pressure torsion (HPT) processing is employed at room temperature, and the microstructure of samples deformed up to an equivalent strain of 50 is investigated by electron backscatter diffraction (EBSD). The distribution pattern and the density of geometrically necessary dislocations (GNDs) are evaluated by examination of transmission Kikuchi diffraction (TKD) maps. Three different methodologies are utilized for assessment of the GND density. It was observed that two distinct stages of grain fragmentation and steady-state occur during processing. During the first stage, a severe grain refinement was observed as the average grain size decreased from ~85 μm to ~1 μm at an equivalent strain of 10. Quantification of the density of dislocations in both deformation regimes showed that, independent of the choice of model, the GND density is greater in the fragmentation stage than in the steady-state stage. This observation was linked with the prevalence of the continuous dynamic recrystallization (CDRX) phenomenon in each stage. Furthermore, a significant presence of GNDs in the steady-state stage was characterized. Formation of microstructure, grain refinement and saturation of grain size are discussed in the light of statistics of GNDs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling

This project focussed on two aspects of computational modeling with a view toward application for photovoltaic design: (i) increased reliability of exchange-correlation functionals in time-dependent density functional theory (TDDFT) (a method of choice of the calculation of electronic spectra and dynamics), especially for time-resolved non-perturbative dynamics, and (ii) the development of a practical but rigorously-based method for coupling electronic and nuclear motion via the exact-factorization (EF) approach (a relatively new framework for developing approximations).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2023

Comparative Accuracies of Models for Drag Prediction During Geomagnetically Disturbed Periods: A First Principles Model Versus Empirical Models

We examine the accuracy of density prediction by the first principles model Thermosphere Ionosphere Electrodynamics General Circulation Model (TIEGCM) developed by the National Center for Atmospheric Research and compare it to the accuracy of three empirical models: Jacchia 71, the Naval Research Laboratory Mass Spectrometer Incoherent Scatter Extended 2000 (NRLMSIS), Jacchia 1971, and Jacchia-Bowman 2008. Comparisons are made for three large storms: the October 2003 storm, the March 2013 storm, and the March 2015 storm. To evaluate the accuracy of these models we use tracking data for nine space objects in low Earth orbit. Additionally, we evaluate the accuracy of the TIEGCM and NRLMSIS with data from high precision accelerometers on the Challenging Minisatellite Payload (CHAMP) and Gravity field and Circulation Explorer (GOCE) satellites. The goal is to assess the use of a first principles model as a potential tool for forecasting satellite drag during large magnetic storms. For the storms considered, we found the TIEGCM, JB2008, and NRLMSIS models to be substantially more accurate than the Jacchia 71 model. The accuracies of the TIEGCM and JB2008 models were similar, but overall, the TIEGCM was more accurate. We found smaller differences for TIEGCM versus CHAMP than for NRLMIS for the Halloween Storm, and smaller differences than results published for JB2008 and the assimilative model HASDM. The empirical models are at present more practical for operational purposes, but the TIEGCM, developed as a research model, with a greater focus on operational use offers the potential for improved utility during stressing conditions.

R. L. Walterscheid↗
NASA NTRS1986

Short-term variability of nitrogen dioxide in the winter stratosphere

Measurements of limb radiance from the Solar Mesosphere Explorer (SME) satellite are used to infer the NO2 density at the 10- and 16-mbar pressure levels from January 1 to March 31 of 1982. A photochemical-dynamical model is developed using the presently accepted chemistry of the NO(x) family. The dynamical model produces isentropic trajectories which simulate the history of air parcels. From the trajectories the photochemical model calculates NO2 densities, which are compared to those observed by SME. Although the model generally reproduces the spatial and temporal variations rather well, some disagreement was noted for conditions of exceptionally low temperatures. Further analysis indicates that the temperature sensitivity of the N2O5 photolysis cross sections may be overestimated at low temperatures.

Zawodny, J. M.↗
NASA NTRS1985

Analysis of holographic interferograms of aerodynamic models in a wind tunnel

Holographic interferometry provides a non-invasive technique for estimating variations in the air density distribution around aerodynamic models in wind tunnels. The testing of this technique has been underway for some time and has been reported previously for a two dimensional aerodynamic model. Results obtained from tests using three dimensional aerodynamic models are summarized. Holograms were made of aerodynamic models in a wind tunnel. Interferograms were made from these holograms. The interference fringes in these holographic interferograms were digitized and this information was entered into the HOLOFT program. The HOLOFT program successfully calculated the known stagnation air density at the nose of a model and the known air density distribution across the cross section passing through the stagnation point for the axisymmetrical case of this model at a Mach number of 0.8. Thus the technique of holographic interferometry does work.The HOLOFT program stands for HOLOgraphic Inversion by 2-D Fourier Transform.

Perry, R. L.↗
NASA NTRSDate not supplied

Modeling EUV Intensity at the Top of the Transition Region Using SPICE Data on Board Solar Orbiter

The Spectral Imaging of Coronal Environment (SPICE; SPICE Consortium et al. 2020) provides an extraordinary opportunity to study the chromosphere and transition region using EUV wavelengths, e.g., Ne VIII 770 Å, CIII 977 Å, OVI 1032 Å, and Lyman-𝛽 025 Å. We present results modeling Ne VIII 770 Å intensity using images from SPICE and the COronal DEnsity and Temperature (CODET) model. This model is based on relationships between the magnetic field, density, and temperature. It uses a flux transport model, the Potential Field Extrapolation model (PFSS), an emission model based on Chianti atomic database 10.0.2, and an optimization algorithm. In addition, we assume that the emission from the top of the transition region (Ne VIII 770 Å) can be described using the magnetic field in the coronal base at 1.014𝑅⨀ (from PFSS). We found the mean full disc electron density in the transition region obtained from the CODET model for Ne VIII 770 Å (𝑙𝑜𝑔10𝑇[𝐾] = 5.8) corresponds to ∼ 𝑙𝑜𝑔10𝑁 𝑐𝑚−3 >9, and temperature value is 𝑙𝑜𝑔10𝑇[𝐾]~6. This value agrees with the Ne VIII 770 Å temperature formation 𝑙𝑜𝑔10𝑇[𝐾]~5.8. The density above sunspots (𝐵 > 50 𝐺) corresponds to 𝑙𝑜𝑔10𝑁 𝑐𝑚−3 > 9, while in quiet Sun regions (𝐵 < 50 𝐺) the mean density is 𝑙𝑜𝑔10𝑁[𝑐𝑚−3 ] = 8 .

Jenny M Rodriguez Gomez↗
DOE OSTI2017

Probing the Anisotropy of the Milky Way Gaseous Halo-II: Sightline toward Mrk 509

Hot, million degree gas appears to pervade the Milky Way halo, containing a large fraction of the Galactic missing baryons. This circumgalactic medium (CGM) is probed effectively in X-rays, both in absorption and in emission. The CGM also appears to be anisotropic, so we have started a program to determine CGM properties along several sightlines by combining absorption and emission measurements. Here we present the emission measure close to the Mrk 509 sightline using new Suzaku and XMM-Newton observations. We also present new analysis and modeling of Chandra HETG spectra to constrain the absorption parameters. The emission measure in this sightline is high, EM = 0.0165 ± 0.0008 ± 0.0006 cm{sup −6} pc, five times larger than the average. The observed O vii column density N(O vii) = 2.35±0.4×10{sup 16} cm{sup −2}, however, is close to the average. We find that the temperature of the emitting and absorbing gas is the same: logT(K) = 6.33 ± 0.01 and logT(K) = 6.33 ± 0.16 respectively. We fit the observed column density and emission measure with a β-model density profile. The central density is constrained to be between n {sub 0} = 2.8–6.0 × 10{sup −4} cm{sup −3} and the core radius of the density profile has a lower limit of 40 kpc. This shows that the hot gas is mostly in the CGM of the galaxy, not in the Galactic disk. Our derived density profile is close to the Maller and Bullock profile for adiabatic gas in hydrostatic equilibrium with an NFW dark-matter potential well. Assuming this density profile, the minimum mass of the hot CGM is 3.2×10{sup 10} M {sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Time-dependent model of the Martian atmosphere for use in orbit lifetime and sustenance studies

A time-dependent model of the Martian atmosphere suitable for calculation of long-term aerodynamic effects on low altitude satellites is presented. The atmospheric model is both position dependent, through latitude and longitude effects, and time dependent. The time dependency includes diurnal and seasonal effects, effects of annual motion, long and short term solar activity effects, and periodic dust storm effects. Nine constituent gases are included in the model. Uncertainties in exospheric temperature, turbidity, and turbopause altitude are used to produce bounds on the expected density. A computer model - a Fortran subroutine which, when given the Julian date, Cartesian position of the sun and the spacecraft in aerocentric coordinates, returns the local values of mass density, temperature, scale height, and upper and lower bounds on the mass density is presented.

Culp, R. D.↗
DOE OSTI2022

Dislocation-Limited Thermal Conductivity in LiF: Revisiting Perturbative Models

We revisit models to describe phonon-dislocation interactions and resulting dislocation-limited thermal conductivity (k), particularly as applied to describe the temperature-dependent k behavior of LiF with significant dislocation densities. Coupling semiempirical models of phonon scattering from dislocation strain fields provided by Klemens and Carruthers with density functional theory description of the phonons and input parameters, we find that both models significantly overpredict the measured k of LiF, as found previously. However, more direct application of the quantum perturbation theory description, from which the models were derived, gives significantly stronger phonon-dislocation scattering and strongly underpredicts the measured k data. We revisit the derivation of phonon-dislocation-strain field scattering and provide numerical details regarding its implementation. This work demonstrates that quantum perturbative calculations, now accessible to modern computational architectures, may provide a reasonable description of dislocation-limited k in materials as governed by phonon-strain field interactions provided that questions regarding the relevant strain field range can be resolved.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Post-flight Analysis of Atmospheric Properties from Mars 2020 Entry, Descent, and Landing

The Mars 2020 spacecraft landed the Perseverance rover and Ingenuity helicopter successfully in Jezero crater on Feb. 18, 2021. The entry, descent, and landing (EDL) sequence of the spacecraft largely leveraged the previous 2012 Mars Science Laboratory (MSL) mission. The atmospheric modeling approach for Mars 2020 was also borrowed from MSL. It consisted of two mesoscale atmospheric models of the target site during the Martian season of landing, and a statistical model of the pressure, density, temperature, and winds based on the mesoscale model data. This paper briefly describes the pre-flight atmospheric models used for Mars 2020, but focuses on the post-flight assessment of these models and comparison to near-landing day orbiter sounder and other onboard atmospheric measurements. Observations from post-flight analysis showed that density was under-predicted in the upper atmosphere, but within the altitudes covered by the mesoscale models, the pre-flight modeling matched post-flight results, including for quantities like wind velocities. Potential improvements to address the upper atmosphere and other deficiencies of the Mars 2020 pre-flight model are also discussed.

Villar, Gregorio↗
DOE OSTI2018

New Self-lensing Models of the Small Magellanic Cloud: Can Gravitational Microlensing Detect Extragalactic Exoplanets?

We use three-dimensional distributions of classical Cepheids and RR Lyrae stars in the Small Magellanic Cloud (SMC) to model the stellar density distribution of a young and old stellar population in that galaxy. We use these models to estimate the microlensing self-lensing optical depth to the SMC, which is in excellent agreement with the observations. Our models are consistent with the total stellar mass of the SMC of about 1.0×10{sup 9} M{sub ⊙} under the assumption that all microlensing events toward this galaxy are caused by self-lensing. We also calculate the expected event rates and estimate that future large-scale surveys, like the Large Synoptic Survey Telescope (LSST), will be able to detect up to a few dozen microlensing events in the SMC annually. If the planet frequency in the SMC is similar to that in the Milky Way, a few extragalactic planets can be detected over the course of the LSST survey, provided significant changes in the SMC observing strategy are devised. A relatively small investment of LSST resources can give us a unique probe of the population of extragalactic exoplanets.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Investigation of configuration effects on entry heating distributions at Mach no. equal 8.0 (OH41)

Aerodynamic heating data were obtained on 0.006 scale models of four Rockwell International SSV double delta wing Orbiters in the Mach 8 variable density tunnel. A model of two previously tested Rockwell International Orbiters which are identified in the Configuration Description of this report were also tested. Orbiter surfaces were thermally mapped from the laminar through turbulent flight regimes during re-entry. Various modifications were made to model lower surfaces to determine the cause of transition in the vicinity of 3.0 million Reynolds number per foot. Re-entry data were acquired for angles of attack from 25 through 35 degrees at nominal Reynolds numbers per foot of 1.0, 2.0, 2.3, 2.5, 3.0, 3.5, 4.5 and 6.0 million utilizing the phase change paint technique. Launch data were acquired on the model upper surfaces for angles of attack of 0 and -5 degrees at nominal Reynolds numbers per foot of 3.0 and 6.0 million. A total of 70 orbiter heating runs and 6 material sample sphere runs were completed.

Gorowitz, H.↗
DOE OSTI2017

Triggering Collapse of the Presolar Dense Cloud Core and Injecting Short-lived Radioisotopes with a Shock Wave. V. Nonisothermal Collapse Regime

Recent meteoritical analyses support an initial abundance of the short-lived radioisotope (SLRI) {sup 60}Fe that may be high enough to require nucleosynthesis in a core-collapse supernova, followed by rapid incorporation into primitive meteoritical components, rather than a scenario where such isotopes were inherited from a well-mixed region of a giant molecular cloud polluted by a variety of supernovae remnants and massive star winds. This paper continues to explore the former scenario, by calculating three-dimensional, adaptive mesh refinement, hydrodynamical code (FLASH 2.5) models of the self-gravitational, dynamical collapse of a molecular cloud core that has been struck by a thin shock front with a speed of 40 km s{sup −1}, leading to the injection of shock front matter into the collapsing cloud through the formation of Rayleigh–Taylor fingers at the shock–cloud intersection. These models extend the previous work into the nonisothermal collapse regime using a polytropic approximation to represent compressional heating in the optically thick protostar. The models show that the injection efficiencies of shock front materials are enhanced compared to previous models, which were not carried into the nonisothermal regime, and so did not reach such high densities. The new models, combined with the recent estimates of initial {sup 60}Fe abundances, imply that the supernova triggering and injection scenario remains a plausible explanation for the origin of the SLRIs involved in the formation of our solar system.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1996

Model Insensitive and Calibration Independent Method for Determination of the Downstream Neutral Hydrogen Density Through Ly-alpha Glow Observations

Our knowledge of the various heliospheric phenomena (location of the solar wind termination shock, heliopause configuration and very local interstellar medium parameters) is limited by uncertainties in the available heliospheric plasma models and by calibration uncertainties in the observing instruments. There is, thus, a strong motivation to develop model insensitive and calibration independent methods to reduce the uncertainties in the relevant heliospheric parameters. We have developed such a method to constrain the downstream neutral hydrogen density inside the heliospheric tail. In our approach we have taken advantage of the relative insensitivity of the downstream neutral hydrogen density profile to the specific plasma model adopted. We have also used the fact that the presence of an asymmetric neutral hydrogen cavity surrounding the sun, characteristic of all neutral densities models, results in a higher multiple scattering contribution to the observed glow in the downstream region than in the upstream region. This allows us to approximate the actual density profile with one which is spatially uniform for the purpose of calculating the downstream backscattered glow. Using different spatially constant density profiles, radiative transfer calculations are performed, and the radial dependence of the predicted glow is compared with the observed I/R dependence of Pioneer 10 UV data. Such a comparison bounds the large distance heliospheric neutral hydrogen density in the downstream direction to a value between 0.05 and 0.1/cc.

Gangopadhyay, P.↗
DOE OSTI2020

eFESTA: Ensemble Feature Exploration with Surface Density Estimates

We propose surface density estimate (SDE) to model the spatial distribution of surface features-isosurfaces, ridge surfaces, and streamsurfaces-in 3D ensemble simulation data. The inputs of SDE computation are surface features represented as polygon meshes, and no field datasets are required (e.g., scalar fields or vector fields). The SDE is defined as the kernel density estimate of the infinite set of points on the input surfaces and is approximated by accumulating the surface densities of triangular patches. We also propose an algorithm to guide the selection of a proper kernel bandwidth for SDE computation. An ensemble Feature Exploration method based on Surface densiTy EstimAtes (eFESTA) is then proposed to extract and visualize the major trends of ensemble surface features. For an ensemble of surface features, each surface is first transformed into a density field based on its contribution to the SDE, and the resulting density fields are organized into a hierarchical representation based on the pairwise distances between them. The hierarchical representation is then used to guide visual exploration of the density fields as well as the underlying surface features. We demonstrate the application of our method using isosurface in ensemble scalar fields, Lagrangian coherent structures in uncertain unsteady flows, and streamsurfaces in ensemble fluid flows.

Computational modeling↗
NASA NTRS1994

Probability density function approach for compressible turbulent reacting flows

The objective of the present work is to extend the probability density function (PDF) tubulence model to compressible reacting flows. The proability density function of the species mass fractions and enthalpy are obtained by solving a PDF evolution equation using a Monte Carlo scheme. The PDF solution procedure is coupled with a compression finite-volume flow solver which provides the velocity and pressure fields. A modeled PDF equation for compressible flows, capable of treating flows with shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed. Two super sonic diffusion flames are studied using the proposed PDF model and the results are compared with experimental data; marked improvements over solutions without PDF are observed.

Hsu, A. T.↗
NASA NTRS2004

Measurement of Initial Conditions at Nozzle Exit of High Speed Jets

The time averaged and unsteady density fields close to the nozzle exit (0.1 less than or = x/D less than or = 2, x: downstream distance, D: jet diameter) of unheated free jets at Mach numbers of 0.95, 1.4, and 1.8 were measured using a molecular Rayleigh scattering based technique. The initial thickness of shear layer and its linear growth rate were determined from time-averaged density survey and a modeling process, which utilized the Crocco-Busemann equation to relate density profiles to velocity profiles. The model also corrected for the smearing effect caused by a relatively long probe length in the measured density data. The calculated shear layer thickness was further verified from a limited hot-wire measurement. Density fluctuations spectra, measured using a two-Photomultiplier-tube technique, were used to determine evolution of turbulent fluctuations in various Strouhal frequency bands. For this purpose spectra were obtained from a large number of points inside the flow; and at every axial station spectral data from all radial positions were integrated. The radially-integrated fluctuation data show an exponential growth with downstream distance and an eventual saturation in all Strouhal frequency bands. The initial level of density fluctuations was calculated by extrapolation to nozzle exit.

Panda, J.↗
DOE OSTI2025

Density functional theory-based surrogate kinetic models for heterogeneous reactions of hydrocarbon intermediates on silicon carbide

The increasing demand for high-performance materials in advanced technologies highlights the importance of achieving a fundamental understanding and potential control of silicon carbide (SiC) deposition processes. However, existing models often lack sufficient theoretical detail, relying heavily on empirical data and offering limited predictive capability. In particular, the complex surface chemistry governing SiC growth remains poorly understood. This study addresses these challenges by employing density functional theory (DFT) to investigate key heterogeneous reactions involving hydrocarbon intermediates on SiC surfaces, including dehydrogenation, hydrogenation, and carbon deposition. Transition state searches were conducted to identify reaction pathways and energy barriers. While first-principles calculations offer high accuracy, they are computationally intensive. To extend the utility of these first-principles results, vibrational analyses were performed using phonon-based statistical thermochemistry to compute temperature-dependent reaction rates which were used to develop Arrhenius-type surrogate kinetic models. Furthermore, the resulting framework provides a more rigorous, physically grounded basis for integrating atomistic insights into continuum-scale modeling, ultimately enabling improved prediction and optimization of SiC film growth in high-performance material systems.

Density Functional Theory↗