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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
NASA NTRS1998

Exploring the Structure and Evolution of the Universe: Multi-Band Profiles of the Known Gamma-Ray Pulsars

As summarized in this pamphlet, some of the far-reaching underlying issues to be addressed include: What is the origin of the universe and its destiny; Why is the universe lumpy; How did the known structures of the universe evolve; How do galaxies evolve; How do massive black holes grow; How did the elemental composition of the universe evolve; What is the structure and behavior of matter in the extreme; and Is Einstein's general relativity theory right.

UNIVERSE↗
DOE OSTI2023

An Integrated Simulation of Multiple-Pass U-10Mo Alloy Hot Rolling and Static Recrystallization

To achieve a desired microstructure and minimize the thickness variation in rolled foils, researchers must understand the effects of foil fabrication process variables on microstructure evolution. We developed an integrated simulation of deformation and recrystallization that employs the finite element method (FEM) and the kinetic Monte Carlo (KMC) Potts model, respectively, to investigate microstructure evolution during multiple-pass hot rolling and heat treatment in polycrystalline U-10Mo fuel. Scanning electron microscopy and electron backscatter diffraction images of microstructures were directly used as input in FEM calculation of deformation, and the calculated strains were used to determine the driving force of nucleation and growth of recrystallized grains in the Potts model. Grain structures predicted by the Potts model were used to update the grain structure and material properties for FEM. Simulation alternated between FEM and the Potts model to simulate grain structure evolution during multiple rolling and heat treatments. The initial model parameters were determined by benchmarking the recrystallization kinetics against experimental data. Then, the model was applied to predict the grain structure evolution. Results showed that our model can capture the coupling between deformation and recrystallization and can quantitatively reproduce the observed U-10Mo recrystallization and grain growth kinetics. The simulation results demonstrated that the developed model can predict U-10Mo grain structures as a function of initial microstructure and foil fabrication parameters.

36 MATERIALS SCIENCE↗
NASA NTRS1982

The structure and evolution of ancient impact basins on Mars

It is pointed out that characteristic styles of degradation and modification of obvious Martian basins make it possible to recognize more subtle expressions. This approach is seen as providing not only additional basins to the existing inventory but also fundamental clues for initial impact basin structure and stratigraphy. It also reveals the long-lasting influence of basin formation on the crust of Mars in spite of extensive erosion and resurfacing. Consideration is given to five clear examples of modified impact basins, and regions around each that have undergone similar processes (fracturing, collapse, channeling) are delineated. These processes among the different basins are then compared, and similar zones of modification are correlated with concentric basin rings. Consideration is then given to the implications of these observations for current models of basin formation and to the role of impact basins in controlling regional tectonics. The results indicate that large multiring impact scars leave a major but sometimes subtle imprint on the geologic structure of stable crustal regions on Mars.

Schultz, P. H.↗
DOE OSTI2025

Topotactic Phase Transformation of Lithiated Spinel to Layered LiMn0.5Ni0.5O2: The Interaction of 3-D and 2-D Li-ion Diffusion

This study investigates the structural evolution of LiMn0.5Ni0.5O2 cathode materials for Li-ion batteries as a function of synthesis temperature and its effect on electrochemical performance. It is demonstrated that, as the synthesis temperature increases from 400 to 900 ?C, a gradual topotactic transformation occurs between a lithiated spinel structure, denoted herein as “lithium-excess spinel” LxS-LiMn0.5Ni0.5O2 (or LxS-LMNO), and the well-known layered LiMn0.5Ni0.5O2 structure prepared at high temperature, HT-LiMn0.5Ni0.5O2 (HT-LMNO). The electrochemical capacity of the LiMn0.5Ni0.5O2 electrodes follows a parabolic trend with increasing synthesis temperature, which is attributed primarily to the gradual transformation of 3-dimensional (3-D) to 2-dimensional (2-D) diffusion pathways for the Li ions. When synthesized at 400 °C, LxS-LiMn0.5Ni0.5O2 electrodes perform well, benefitting from the 3-D network of channels within the LxS structure. By contrast, when prepared at 500-700 °C, LiMn0.5Ni0.5O2 electrodes operate poorly, which is attributed to the formation of locally disordered structural arrangements that impede Li-ion diffusion. Such an increase in local disorder in the mid-temperature synthesis range is attributed to the structural frustration between the lithium-excess spinal and layered end-members. The transformation from the locally disordered to more ordered layered components between 700 °C and 900 °C enhances electrochemical performance. The study opens new avenues for designing next-generation Mn-rich cathode materials by fine-tuning the synthesis conditions as well as the composition and structure of LxS-LMNO electrodes.

energy storage↗
NASA NTRS1992

A formulation of convection for stellar structure and evolution calculations without the mixing-length theory approximations. I - Application to the sun

The problem of treating convective energy transport without MLT approximations is approached here by formulating the results of numerical simulations of convection in terms of energy fluxes. This revised treatment of convective transport can be easily incorporated within existing stellar structure codes. As an example, the technique is applied to the sun. The treatment does not include any free parameters, making the models extremely sensitive to the accuracy of the treatments of opacities, chemical abundances, treatments of the solar atmosphere, and the equation of state.

Lydon, Thomas J.↗
DOE OSTI2025

Operando imaging reveals nanocatalyst reconstruction

Here, understanding the nature of structural evolution of Cu nanocatalysts during CO 2 electroreduction is a long-standing question in catalysis science. Now, operando electron microscopy techniques correlated with X-ray spectroscopy and first-principles modelling demonstrate that the reaction products themselves drive the structural evolution in Cu nanocubes.

Characterization and analytical techniques↗
NASA NTRS2003

Gravitational Lenses and the Structure and Evolution of Galaxies

The grant has supported the completion of 16 papers and 4 conference proceedings to date. During the first year of the project we completed five papers, each of which represents a new direction in the theory and interpretation of gravitational lenses. In the first paper, "The Importance of Einstein Rings", we developed the first theory for the formation and structure of the Einstein rings formed by lensing extended sources like the host galaxies of quasar and radio sources. We applied the theory to three lenses with lensed host galaxies. For the time delay lens PG 1115+080 we found that the structure of the Einstein ring ruled out models of the gravitational potential which permitted a large Hubble constant (70 km/s Mpc). In the second paper, :Cusped Mass Models Of Gravitational Lenses", we introduced a new class of lens models where the central density is characterized by a cusp ( rho proportional to tau(sup -gamma), 1 less than gamma less than 2) as in most modern models and theories of galaxies rather than a finite core radius. In the third paper, "Global Probes of the Impact of Baryons on Dark Matter Halos", we made the first globally consistent models for the separation distribution of gravitational lenses including both galaxy and cluster lenses. We show that the key physics for the origin of the sharp separation cutoff in the separation distribution near 3 arc sec is the effect of the cooling baryons in galaxies on the density structure of the system.

Kochanek, Christopher↗
NASA NTRS1990

The 27-28 October 1986 FIRE IFO cirrus case study - A five lidar overview of cloud structure and evolution

During the case study from the First ISCCP (International Satellite Cloud Climatology Program) Regional Experiment (FIRE) Intensive Field Observation (IFO), one airborne lidar system and four ground-based systems collected linear depolarization, intrinsically calibrated backscatter, and Doppler velocity information. Data presented describe the temporal evolution and spatial distribution of cirrus clouds over an area encompassing southern and central Wisconsin. Cirrus cloud types include dissipating subvisual and thin fibrous cirrus cloud bands, an isolated mesoscale uncinus complex, a large-scale, deep cloud that developed into an organized cirrus structure within the lidar array, and a series of intensifying mesoscale cirrus cloud masses. It is noted that the cirrus frequently developed in the vertical from particle fallstreaks emanating from generating regions at or near cloud tops; however, glaciating supercooled altocumulus clouds contributed to the production of ice mass at the base of the deep cirrus cloud.

Sassen, Kenneth↗
DOE OSTI2022

The Milky Way tomography with APOGEE: intrinsic density distribution and structure of mono-abundance populations

ABSTRACT The spatial distribution of mono-abundance populations (MAPs, selected in [Fe/H] and [Mg/Fe]) reflect the chemical and structural evolution in a galaxy and impose strong constraints on galaxy formation models. In this paper, we use APOGEE data to derive the intrinsic density distribution of MAPs in the Milky Way, after carefully considering the survey selection function. We find that a single exponential profile is not a sufficient description of the Milky Way’s disc. Both the individual MAPs and the integrated disc exhibit a broken radial density distribution; densities are relatively constant with radius in the inner Galaxy and rapidly decrease beyond the break radius. We fit the intrinsic density distribution as a function of radius and vertical height with a 2D density model that considers both a broken radial profile and radial variation of scale height (i.e. flaring). There is a large variety of structural parameters between different MAPs, indicative of strong structure evolution of the Milky Way. One surprising result is that high-α MAPs show the strongest flaring. The young, solar-abundance MAPs present the shortest scale height and least flaring, suggesting recent and ongoing star formation confined to the disc plane. Finally we derive the intrinsic density distribution and corresponding structural parameters of the chemically defined thin and thick discs. The chemical thick and thin discs have local surface mass densities of 5.62 ± 0.08 and 15.69 ± 0.32 M⊙pc−2, respectively, suggesting a massive thick disc with a local surface mass density ratio between thick to thin disc of 36 per cent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Jaynesian Analysis of Environmental Chemistry: Systems Model Component Integration via the Arctic Aquatic Carbon Cycle

Focal Areas: All three are touched upon from the OBER call. We will consider formal logical inference and entropic information analysis for sparse but intensive chemical measurements, as optimal drivers for managing process complexity. As a centerpiece for the discussion we take soil-to-sea organic structural evolution within the Arctic hydro-geochemosphere, assessing detrital negentropy then algorithmic greed to generate ranked, reduced mechanisms for system integration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Scalar Power Spectra and Scalar Structure Function Evolution in the Richtmyer–Meshkov Instability Upon Reshock

The Richtmyer–Meshkov instability of a twice-shocked gas interface is studied using high-speed planar laser-induced fluorescence in the Wisconsin Shock Tube Laboratory's vertical shock tube. The initial condition is a shear layer with broadband diffuse perturbations at the interface between a helium–acetone mixture and argon. Furthermore, this initial condition is accelerated by a shock of nominal strength M = 1.9, and then accelerated again by the transmitted shock that reflects off the end wall of the tube. Three individual experiments are analyzed, the energy spectrum and the structure functions of the light gas mole fraction field are calculated and compared.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2014

Structure and Evolution of the Lunar Procellarum Region as Revealed by GRAIL Gravity Data

The Procellarum region is a broad area on the nearside of the Moon that is characterized by low elevations, thin crust, and high surface concentrations of the heat-producing elements uranium, thorium, and potassium. The Procellarum region has been interpreted as an ancient impact basin approximately 3200 km in diameter, though supporting evidence at the surface would have been largely obscured as a result of the great antiquity and poor preservation of any diagnostic features. Here we use data from the Gravity Recovery and Interior Laboratory (GRAIL) mission to examine the subsurface structure of Procellarum. The Bouguer gravity anomalies and gravity gradients reveal a pattern of narrow linear anomalies that border the Procellarum region and are interpreted to be the frozen remnants of lava-filled rifts and the underlying feeder dikes that served as the magma plumbing system for much of the nearside mare volcanism. The discontinuous surface structures that were earlier interpreted as remnants of an impact basin rim are shown in GRAIL data to be a part of this continuous set of quasi-rectangular border structures with angular intersections, contrary to the expected circular or elliptical shape of an impact basin. The spatial pattern of magmatic-tectonic structures bounding Procellarum is consistent with their formation in response to thermal stresses produced by the differential cooling of the province relative to its surroundings, coupled with magmatic activity driven by the elevated heat flux in the region.

Procellarum↗
NASA NTRS1982

The structure and evolution of galacto-detonation waves - Some analytic results in sequential star formation models of spiral galaxies

Waves of star formation in a uniform, differentially rotating disk galaxy are treated analytically as a propagating detonation wave front. It is shown, that if single solitary waves could be excited, they would evolve asymptotically to one of two stable spiral forms, each of which rotates with a fixed pattern speed. Simple numerical solutions confirm these results. However, the pattern of waves that develop naturally from an initially localized disturbance is more complex and dies out within a few rotation periods. These results suggest a conclusive observational test for deciding whether sequential star formation is an important determinant of spiral structure in some class of galaxies.

Cowie, L. L.↗
NASA NTRS1990

A mathematical model of the structure and evolution of small scale discrete auroral arcs

A three dimensional fluid model which includes the dispersive effect of electron inertia is used to study the nonlinear macroscopic plasma dynamics of small scale discrete auroral arcs within the auroral acceleration zone and ionosphere. The motion of the Alfven wave source relative to the magnetospheric and ionospheric plasma forms an oblique Alfven wave which is reflected from the topside ionosphere by the negative density gradient. The superposition of the incident and reflected wave can be described by a steady state analytical solution of the model equations with the appropriate boundary conditions. This two dimensional discrete auroral arc equilibrium provides a simple explanation of auroral acceleration associated with the parallel electric field. Three dimensional fully nonlinear numerical simulations indicate that the equilibrium arc configuration evolves three dimensionally through collisionless tearing and reconnection of the current layer. The interaction of the perturbed flow and the transverse magnetic field produces complex transverse structure that may be the origin of the folds and curls observed to be associated with small scale discrete arcs.

Seyler, C. E.↗
DOE OSTI2026

Coarse-Grained Simulations of Polyrotaxane Hydrogels under Quiescent and Shear Conditions

Cyclodextrin-based polyrotaxanes (PR) form hydrogels in water through cyclodextrin (CD) aggregation and crystallization. These networks can break under shear flows, making them versatile platforms for extrusion-based 3D printing. To optimize the material properties of 3D-printed PR gels, a microscopic understanding of the structural evolution during 3D printing is necessary. Here, we employ coarse-grained (CG) simulations to reveal the PR assembly process at the molecular level. Our simulations reproduce the experimental crystal morphologies of PR at varying concentrations and chain lengths under quiescent conditions. Using nonequilibrium simulations, we show shear flow ruptures crystalline domain connectivity in PR gels and stacks the lamellae in the gradient direction, allowing the materials to flow during 3D printing. After the cessation of flow, the anisotropic crystal alignment and absence of available dangling PR diminish the intercrystal connectivity. The printed materials are therefore mechanically weaker than the pristine hydrogels, in agreement with experimental results. Nonetheless, by relating the microscopic structural evolution with viscoelastic properties of PR gels and solutions, we elucidate how flow conditions and sample composition affect the 3D printing performance of PR hydrogels.

Smith, Cameron D. [Dartmouth College, Hanover, NH ↗
DOE OSTI2020

Phase field modeling of discontinuous dynamic recrystallization in hot deformation of magnesium alloys

We have developed a quantitative phase field model of discontinuous dynamic recrystallization (PF-DDRX) for investigating grain structure evolution and its impact on mechanical response in magnesium alloy during hot deformation. A set of isothermal compression tests were conducted by Gleeble thermo-mechanical simulator and used to determine PF-DDRX model parameters such as critical stresses of recrystallization, activation energies of dislocation, grain boundaries and recrystallization grain nucleation. In the simulations, the experimentally measured average grain size and distribution were used to generate initial microstructures. The results show that the typical ‘necklace’ microstructures observed in DDRX forms at the earlier stage of recrystallization. The inhomogeneity of microstructures first increases rapidly and then decreases gradually and reaches a constant with the increase of dynamic recrystallization volume fraction. Both predicted grain structure and mechanical response are in good agreement with experimental results. This demonstrates that the model parameters determined by experimental data are reliable for the developed PF-DDRX model to predict the grain structure evolution and flow behavior of AZ80 magnesium alloy under hot deformation. This work presents a path to combine experiments and modeling to give quantitative prediction and minimize experimental cost.

magnesium alloy, Phase field method, dynamic recry↗
DOE OSTI2025

Synthesis and post-heating treatment of inorganic NaF·Na 3 SbS 4 solid electrolytes

Sulfide-type sodium (Na) solid electrolytes (SEs) with halide doping have attracted serious interest due to their high ionic conductivity and great potential in solid-state Na batteries. While other halogens such as Cl, Br, I have been studied to enhance Na-ion transport in sulfide-type SEs, the introduction of fluorine (F) is rarely investigated. Moreover, synthetic parameters such as heating treatment temperatures strongly influence the structure and conductive properties of halide-doped sulfide SEs. Herein, we prepared xNaF·(1-x)Na 3 SbS 4 nanocomposites with varying concentration of F using a low-temperature (150 °C) heating method, and studied the effects of post-heating treatment on structure and conductivity. In-situ neutron diffraction was employed to investigate the structural evolution of X-doped Na 3 SbS 4 (X = F, Cl) during the post-heating treatment and cooling process. In addition, the post-heating treatment at 300 °C leads to increased ionic conductivity of xNaF·(1-x)Na 3 SbS 4 nanocomposites with various F contents. After 300 °C post-heating treatment, 0.2NaF·0.8Na 3 SbS 4 exhibited the highest conductivity of 0.48 mS cm –1 at room temperature. Moreover, improved electrochemical stability was also observed in Na-Sn symmetric cells, specially, with prolonged stable cycling for 300 h and much lower polarization voltage (<0.35 V). Furthermore, this work highlights the importance of post-heating treatment on the structural evolution and its role in exploring new halide-incorporated sulfide-type SEs, promoting the development of inorganic solid-state ionic conductors.

25 ENERGY STORAGE↗
DOE OSTI2024

Observation of a super-tetrahedral cluster of acetonitrile-solvated dodecaborate dianion via dihydrogen bonding

We launched a combined negative ion photoelectron spectroscopy and multiscale theoretical investigation on the geometric and electronic structures of a series of acetonitrile-solvated dodecaborate clusters, i.e., B 12 H 12 2- ·nCH 3 CN (n = 1–4). The electron binding energies of B 12 H 12 2- ·nCH 3 CN are observed to increase with cluster size, suggesting their enhanced electronic stability. B3LYP-D3(BJ)/ma-def2-TZVP geometry optimizations indicate each acetonitrile molecule binds to B 12 H 12 2- via a threefold dihydrogen bond (DHB) B3–H3 ⋮⋮⋮ H3C–CN unit, in which three adjacent nucleophilic H atoms in B 12 H 12 2- interact with the three methyl hydrogens of acetonitrile. The structural evolution from n = 1 to 4 can be rationalized by the surface charge redistributions through the restrained electrostatic potential analysis. Notably, a super-tetrahedral cluster of B 12 H 12 2- solvated by four acetonitrile molecules with 12 DHBs is observed. The post-Hartree–Fock domain-based local pair natural orbital- coupled cluster singles, doubles, and perturbative triples [DLPNO-CCSD(T)] calculated vertical detachment energies agree well with the experimental measurements, confirming the identified isomers as the most stable ones. Furthermore, the nature and strength of the intermolecular interactions between B 12 H 12 2- and CH 3 CN are revealed by the quantum theory of atoms-in-molecules and the energy decomposition analysis. Ab initio molecular dynamics simulations are conducted at various temperatures to reveal the great kinetic and thermodynamic stabilities of the selected B 12 H 12 2- ·CH 3 CN cluster. The binding motif in B 12 H 12 2- ·CH 3 CN is largely retained for the whole halogenated series B 12 X 12 2- ·CH 3 CN (X = F–I). This study provides a molecular-level understanding of structural evolution for acetonitrile-solvated dodecaborate clusters and a fresh view by examining acetonitrile as a real hydrogen bond (HB) donor to form strong HB interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗