Search NASA⌕ Search

SEARCH · Search NASA

Results for “gradient structure”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Permafrost and organic layer interactions over a climate gradient in a discontinuous permafrost zone

Permafrost is tightly coupled to the organic layer, an interaction that mediates permafrost degradation in response to regional warming. We analyzed changes in permafrost occurrence (PF) and organic layer thickness (OLT) in more than 3000 soil pedons across a mean annual temperature (MAT) gradient. Cause and effect relationships between PF, OLT, and other topographic factors were investigated using structural equation modeling in a multi-group analysis. Groups were defined by slope, soil texture type, and shallow v. deep organic layers. Permafrost probability sharply increased by 0.32 for every 10-cm OLT increase in shallow OLT soils (OLTs) due to an insulation effect, but PF decreased in deep OLT soils (OLTd) by 0.06 for every 10-cm increase. As temperature warmed, sandy soils varied little in PF or OLT, but PF in loamy and sandy soils decreased substantially. The change in OLT was more heterogeneous across soil types in some there was no change while in others OLTs soils thinned and/or OLTd soils thickened as temperature warmed. Furthermore, the rate of thickening with warming for OLTd soils was on average almost 4 times greater than the rate of thinning for OLTs soils across all soil types. If soils follow a trajectory of warming that mimics the spatial gradients found today, then heterogeneities of permafrost degradation and organic layer thinning and thickening should be considered in the regional carbon balance.

Johnson, Kristopher D↗
DOE OSTI2014

Polarization diagnostics for cool core cluster emission lines

The nature of the interaction between low-excitation gas filaments at ∼10{sup 4} K, seen in optical line emission, and diffuse X-ray emitting coronal gas at ∼10{sup 7} K in the centers of galaxy clusters remains a puzzle. The presence of a strong, empirical correlation between the two gas phases is indicative of a fundamental relationship between them, though as yet of undetermined cause. The cooler filaments, originally thought to have condensed from the hot gas, could also arise from a merger or the disturbance of cool circumnuclear gas by nuclear activity. Here, we have searched for intrinsic line emission polarization in cool core galaxy clusters as a diagnostic of fundamental transport processes. Drawing on developments in solar astrophysics, direct energetic particle impact induced polarization holds the promise to definitively determine the role of collisional processes such as thermal conduction in the ISM physics of galaxy clusters, while providing insight into other highly anisotropic excitation mechanisms such as shocks, intense radiation fields, and suprathermal particles. Under certain physical conditions, theoretical calculations predict of the order of 10% polarization. Our observations of the filaments in four nearby cool core clusters place stringent upper limits (≲ 0.1%) on the presence of emission line polarization, requiring that if thermal conduction is operative, the thermal gradients are not in the saturated regime. This limit is consistent with theoretical models of the thermal structure of filament interfaces.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Kinematic Evidence for Bipolar Ejecta Flows in the Galactic Supernova Remnant W49B

W49B is a unique Galactic supernova remnant with centrally peaked, “bar”-like ejecta distribution, which was once considered evidence for a hypernova origin that resulted in a bipolar ejection of the stellar core. However, chemical abundance measurements contradict this interpretation. Closely connected to the morphology of the ejecta is its velocity distribution, which provides critical details for understanding the explosion mechanism. We report the first ever observational constraint on the kinematics of the ejecta in W49B using the Resolve microcalorimeter spectrometer on the X-ray Imaging and Spectroscopy Mission (XRISM). Using XRISM/Resolve, we measured the line-of-sight velocity traced by the Fe Heα emission, which is the brightest feature in the Resolve spectrum, to vary by ±300 km s −1 with a smooth east-to-west gradient of a few tens of kilometers per second per parsec along the major axis. Similar trends in the line-of-sight velocity structure were found for other Fe-group elements Cr and Mn, traced by the Heα emission, and also for intermediate-mass elements Si, S, Ar, and Ca, traced by the Lyα emission. The discovery of the east–west gradient in the line-of-sight velocity, together with the absence of a twin-peaked line profile or enhanced broadening in the central region, clearly rejects the equatorially expanding disk model. In contrast, the observed velocity structure suggests bipolar flows reminiscent of a bipolar explosion scenario. An alternative scenario would be a collimation of the ejecta by an elongated cavity sculpted by bipolar stellar winds.

High resolution spectroscopy↗
DOE OSTI2015

Study of structural and electronic properties of ScN and ScAs in rocksalt and zincblende structure: A DFT approach

In this paper, we have studied the structural and electronic properties of ScN and ScAs in zincblende (ZB) and rocksalt (RS) phases. We have employed the full potential linearized augmented plane wave (FP-APW) method within the density functional theory (DFT). Generalized gradient approximation (GGA), due to Perdew-Burke-Ernzerhof (PBE) has been used to estimate the exchange-correlation functional. Our band structure results for ScN shows the metallic nature, whereas ScAs shows the semiconducting behavior. The obtained results are in excellent agreement with earlier reported data.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The effect of drift on the evolution of the electron/positron spectra in an axisymmetric pulsar wind nebula

Charged particles propagating through a structured magnetic field are subject to drift motion. The primary aim of the present paper is therefore to investigate the effects of gradient, curvature, and neutral sheet drift on the evolution of the electron and positron spectra in a pulsar wind nebula, where the drift motion is a direct result of the magnetic field having an Archimedean spiral structure. In order to investigate the evolution of the spectra, the steady-state, axisymmetric Fokker-Planck transport equation is solved numerically using a finite-difference scheme. Apart from drift motion, the transport processes of convection and diffusion, along with the energy loss processes of adiabatic cooling and synchrotron radiation, are also included in the model. It is found that drift, particularly neutral sheet drift, can lead to a quantitative difference in the evolution of the electron and positron spectra. This difference may be of importance when interpreting the positron excess observed by PAMELA and AMS-02 near Earth.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

CO adsorption on small Au{sub n} (n = 1–4) structures supported on hematite. II. Adsorption on the O-rich termination of α-Fe{sub 2}O{sub 3}(0001) surface

The adsorption of small Au{sub n} (n = 1–4) nanostructures on oxygen terminated α-Fe{sub 2}O{sub 3}(0001) surface was investigated using density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof (PBE) form with Hubbard correction U, accounting for strong electron correlations (PBE+U). The structural, energetic, and electronic properties were examined for two classes of the adsorbed Au{sub n} nanostructures with vertical and flattened configurations. Similarly to the Fe-terminated α-Fe{sub 2}O{sub 3}(0001) surface considered in Part I, the flattened configurations were found energetically more favored than vertical ones. The binding of Au{sub n} to the O-terminated surface is much stronger than to the Fe-termination. The adsorption bonding energy of Au{sub n} and the work function of the Au{sub n}/α-Fe{sub 2}O{sub 3}(0001) systems decrease with the increased number of Au atoms in a structure. All of the adsorbed Au{sub n} structures are positively charged. The bonding of CO molecules to the Au{sub n} structures is distinctly stronger than on the Fe-terminated surface; however, it is weaker than the binding to the bare O-terminated surface. The CO molecule binds to the Au{sub n}/α-Fe{sub 2}O{sub 3}(0001) system through a peripheral Au atom partly detached from the Au{sub n} structure. The results of this work indicate that the most energetically favored sites for adsorption of a CO molecule on the Au{sub n}/α-Fe{sub 2}O{sub 3}(0001) systems are atoms in the Au{sup 0.5+} oxidation state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Theoretical investigation on structural and electronic properties of PdO{sub 2}

Theoretical studies on rutile type Palladium Dioxide were carried out with the aim of analyzing structural and electronic properties at ambient condition using the first principle calculation based on density functional theory. Within the framework of density functional theory, we used full potential linearized augmented plane wave method(FP-LAPW) in Wien 2k code. The exchange and correlation effect is treated with generalized gradient approximation (GGA) using the Perdew, Burke and Eruzeroff form. The charge density plots, density of states and band structure are plotted and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Integrating Stand and Soil Properties to Understand Foliar Nutrient Dynamics during Forest Succession Following Slash-and-Burn Agriculture in the Bolivian Amazon

Secondary forests cover large areas of the tropics and play an important role in the global carbon cycle. During secondary forest succession, simultaneous changes occur among stand structural attributes, soil properties, and species composition. Most studies classify tree species into categories based on their regeneration requirements. We use a high-resolution secondary forest chronosequence to assign trees to a continuous gradient in species successional status assigned according to their distribution across the chronosequence. Species successional status, not stand age or differences in stand structure or soil properties, was found to be the best predictor of leaf trait variation. Foliar δ 13 C had a significant positive relationship with species successional status, indicating changes in foliar physiology related to growth and competitive strategy, but was not correlated with stand age, whereas soil δ 13 C dynamics were largely constrained by plant species composition. Foliar δ 15 N had a significant negative correlation with both stand age and species successional status, – most likely resulting from a large initial biomass-burning enrichment in soil 15 N and 13 C and not closure of the nitrogen cycle. Foliar %C was neither correlated with stand age nor species successional status but was found to display significant phylogenetic signal. Results from this study are relevant to understanding the dynamics of tree species growth and competition during forest succession and highlight possibilities of, and potentially confounding signals affecting, the utility of leaf traits to understand community and species dynamics during secondary forest succession.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

The MASSIVE survey. I. A volume-limited integral-field spectroscopic study of the most massive early-type galaxies within 108 Mpc

Massive early-type galaxies represent the modern day remnants of the earliest major star formation episodes in the history of the universe. These galaxies are central to our understanding of the evolution of cosmic structure, stellar populations, and supermassive black holes, but the details of their complex formation histories remain uncertain. To address this situation, we have initiated the MASSIVE Survey, a volume-limited, multi-wavelength, integral-field spectroscopic (IFS) and photometric survey of the structure and dynamics of the ∼100 most massive early-type galaxies within a distance of 108 Mpc. This survey probes a stellar mass range M* ≳ 10{sup 11.5} M {sub ☉} and diverse galaxy environments that have not been systematically studied to date. Our wide-field IFS data cover about two effective radii of individual galaxies, and for a subset of them, we are acquiring additional IFS observations on sub-arcsecond scales with adaptive optics. We are also acquiring deep K-band imaging to trace the extended halos of the galaxies and measure accurate total magnitudes. Dynamical orbit modeling of the combined data will allow us to simultaneously determine the stellar, black hole, and dark matter halo masses. The primary goals of the project are to constrain the black hole scaling relations at high masses, investigate systematically the stellar initial mass function and dark matter distribution in massive galaxies, and probe the late-time assembly of ellipticals through stellar population and kinematical gradients. In this paper, we describe the MASSIVE sample selection, discuss the distinct demographics and structural and environmental properties of the selected galaxies, and provide an overview of our basic observational program, science goals and early survey results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Thermoelectric Mechanism of Field Emission from Carbon Nanostructures

A model describing peculiarities of field emission from carbon nanomaterials is considered. The model is based on inclusion by drag of electrons by ballistic phonons in the temperature gradient range in the emission center. The model does not require any additional assumptions concerning a special energy structure of the emission center. Quantitative estimates of the thermopower coefficient obtained based on the emission model are in good agreement with experimental results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

HFIR SiC Bowing Test Ready to Insert

This report describes the successful assembly of a High Flux Isotope Reactor (HFIR) irradiation experiment designed to assess radiation-induced lateral bowing of silicon carbide fiber–reinforced, silicon carbide matrix composite (SiC/SiC) components under a radial fast neutron flux gradient. Excessive bowing of a SiC/SiC channel box in a boiling water reactor could potentially interfere with control blade movements. Similar concerns exist for SiC/SiC fuel cladding in light water reactors. The experiment described herein will provide experimental validation of the structural response of a miniature SiC/SiC channel box and tube specimens with pressurized water reactor diameters during irradiation. The significant radial fast neutron flux gradients that exist in the permanent reflector of HFIR were characterized using detailed three-dimensional neutronic calculations. The three-dimensional displacement damage dose rate profile and the resulting volumetric swelling in SiC were used as inputs to structural analyses that predicted the deformation and stresses in the channel box specimen. The specimens were thoroughly characterized prior to irradiation using traditional dimensional inspection and surface profilometry so that these measurements can later be compared with similar measurements that will be made post-irradiation to determine radiation-induced deformations. Furthermore, fine engraving markers were inscribed along all outer surfaces of the specimen and mapped using a digital microscope and a three-dimensional stage. This technique allowed for accurate measurements of the marker spacings, which can be compared with similar measurements that will be made post-irradiation to provide local radiation-induced strain mapping. The experiment was successfully assembled and is scheduled for insertion during HFIR cycle 492, which is currently scheduled to run from May 25, 2021 to June 18, 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Kinematic morphology of large-scale structure: evolution from potential to rotational flow

As an alternative way to describe the cosmological velocity field, we discuss the evolution of rotational invariants constructed from the velocity gradient tensor. Compared with the traditional divergence-vorticity decomposition, these invariants, defined as coefficients of the characteristic equation of the velocity gradient tensor, enable a complete classification of all possible flow patterns in the dark-matter comoving frame, including both potential and vortical flows. We show that this tool, first introduced in turbulence two decades ago, is very useful for understanding the evolution of the cosmic web structure, and in classifying its morphology. Before shell crossing, different categories of potential flow are highly associated with the cosmic web structure because of the coherent evolution of density and velocity. This correspondence is even preserved at some level when vorticity is generated after shell crossing. The evolution from the potential to vortical flow can be traced continuously by these invariants. With the help of this tool, we show that the vorticity is generated in a particular way that is highly correlated with the large-scale structure. This includes a distinct spatial distribution and different types of alignment between the cosmic web and vorticity direction for various vortical flows. Incorporating shell crossing into closed dynamical systems is highly non-trivial, but we propose a possible statistical explanation for some of the phenomena relating to the internal structure of the three-dimensional invariant space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The first principle investigations of structural and electronic properties of ZnTe

Structural and electronic properties of ZnTe are investigated within the framework of density functional theory. The pseudopotential method along with local density approximation and generalized gradient approximation for the exchange-correlation potential is used within the quantum espresso package. The optimized equilibrium lattice parameter, bulk modulus and its pressure derivative are determined. The electronic band structure, density of states and partial density of states are calculated. The results are compared with available theoretical calculations and experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effects of topography on tropical forest structure depend on climate context

Abstract Topography affects abiotic conditions which can influence the structure, function and dynamics of ecological communities. An increasing number of studies have demonstrated biological consequences of fine‐scale topographic heterogeneity but we have a limited understanding of how these effects depend on the climate context. We merged high‐resolution (1 m 2 ) data on topography and canopy height derived from airborne lidar with ground‐based data from 15 forest plots in Puerto Rico distributed along a precipitation gradient spanning c . 800–3,500 mm/year. Ground‐based data included species composition, estimated above‐ground biomass (AGB), and two key functional traits (wood density and leaf mass per area, LMA) that reflect resource‐use strategies and a trade‐off between hydraulic safety and hydraulic efficiency. We used hierarchical Bayesian models to evaluate how the interaction between topography × climate is related to metrics of forest structure (i.e. canopy height and AGB), as well as taxonomic and functional alpha‐ and beta‐diversity. Fine‐scale topography (characterized with the topographic wetness index, TWI) significantly affected forest structure and the strength (and in some cases direction) of these effects varied across the precipitation gradient. In all plots, canopy height increased with topographic wetness but the effect was much stronger in dry compared to wet forest plots. In dry forest plots, topographically wetter microsites also had higher levels of AGB but in wet forest plots, topographically drier microsites had higher AGB. Fine‐scale topography influenced functional composition but had only weak or non‐significant effects on taxonomic and functional alpha‐ and beta‐diversity. For instance, community‐weighted wood density followed a similar pattern to AGB across plots. We also found a marginally significant association between variation of wood density and topographic heterogeneity that depended on climate context. Synthesis . The effects of fine‐scale topographic heterogeneity on tropical forest structure and composition depend on the climate context. Our study demonstrates how a stronger integration of topographic heterogeneity across precipitation gradients could improve estimates of forest structure and biomass, and may provide insight to the ways that topography might mediate species responses to drought and climate change.

Muscarella, Robert↗
DOE OSTI2026

Proximity Ferroelectricity in Compositionally Graded Structures

Proximity ferroelectricity is a novel paradigm for inducing ferroelectricity in a non-ferroelectric polar material, such as AlN or ZnO that are typically unswitchable with an external field below their dielectric breakdown field. When placed in direct contact with a thin switchable ferroelectric layer (such as Al 1-x Sc x N or Zn 1-x Mg x O), they become a practically switchable ferroelectric. Using the thermodynamic Landau-Ginzburg-Devonshire theory, in this work, we perform the finite element modeling of the polarization switching in the compositionally graded AlN-Al 1-x Sc x N, ZnO-Zn 1-x Mg x O, and MgO-Zn 1-x Mg x O structures sandwiched in both a parallel-plate capacitor geometry as well as in a sharp probe-planar electrode geometry. We reveal that the compositionally graded structure allows the simultaneous switching of spontaneous polarization in the whole system by a coercive field significantly lower than the electric breakdown field of unswitchable polar materials. The physical mechanism is the depolarization electric field determined by the gradient of chemical composition “x”. The field lowers the steepness of the switching barrier in the otherwise unswitchable parts of the compositionally graded AlN-Al 1-x Sc x N and ZnO-Zn 1-x Mg x O structures. In the MgO-like regions of the compositionally graded MgO-Zn 1-x Mg x O structure, a shallow double-well free energy potential emerges. Proximity ferroelectric switching of the compositionally graded structures placed in the probe-electrode geometry occurs due to nanodomain formation under the tip. We predict that a gradient of chemical composition “x” significantly lowers effective coercive fields of the compositionally graded AlN-Al 1-x Sc x N and ZnO-Zn 1-x Mg x O structures compared to the coercive fields of the corresponding multilayers with a uniform chemical composition in each layer. A tip-induced switching further lowers the coercive field, enabling control of ferroelectric domains in otherwise unswitchable compositionally graded structures, which can provide nanoscale domain control for memory, actuation, sensing, and optical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simultaneous prediction of structural properties in epitaxially–grown GaN with quantum and conventional multi–output learning algorithms

Hundreds of GaN thin film crystal plasma–assisted molecular beam epitaxy synthesis experiment records spanning two decades were organized into a dataset correlating the growth experiment design parameters with discrete, binary determinations of crystallinity and surface morphology. Conventional data science techniques as well as both quantum and classical multi–output supervised machine learning algorithms were implemented to investigate the relationships between the operating parameter data and the structural figures of merit. Correlation coefficients, decision tree nodes, p–values, and SHAP values all support substrate temperature and gallium effusion cell conditions as being statistically significant for simultaneously influencing GaN crystallinity and surface morphology. Here, a conventional deep neural network learned best from the data, followed by a quantum–classical hybrid gradient boosting algorithm. When combined with calculations of uncertainty intervals based on VennAbers predictors, machine learning predictions of both structural properties show good agreement with results reported in published experimental literature.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Introduction of a bounded penalty function in contact‐assisted simulations of protein structures to omit false restraints

Contact‐assisted simulations, the contacts being predicted or determined experimentally, have become very important in the determination of the structures of proteins and other biological macromolecules. In this work, the effect of contact‐distance restraints on the simulated structures was investigated with the use of multiplexed replica exchange simulations with the coarse‐grained UNRES force field. A modified bounded flat‐bottom restraint function that does not generate a gradient when a restraint cannot be satisfied was implemented. Calculations were run with (i) a set of four small proteins, with contact restraints derived from experimental structures, and (ii) selected CASP11 and CASP12 targets, with restraints as used at prediction time. The bounded penalty function largely omitted false contacts, which were usually inconsistent. It was found that at least 20% of correct contacts must be present in the restraint set to improve model quality with respect to unrestrained simulations. © 2019 Wiley Periodicals, Inc.

Lubecka, Emilia A.↗
DOE OSTI2017

Micro-PIV measurements of multiphase flow of water and liquid CO 2 in 2-D heterogeneous porous micromodels

We present an experimental study of pore-scale flow dynamics of liquid CO 2 and water in a two-dimensional heterogeneous porous micromodel, inspired by the structure of a reservoir rock, at reservoir-relevant conditions (80 bar, 21°C). The entire process of CO 2 infiltration into a water-saturated micromodel was captured using fluorescence microscopy and the micro-PIV method, which together reveal complex fluid displacement patterns and abrupt changes in velocity. The CO 2 front migrated through the resident water in an intermittent manner, forming dendritic structures, termed fingers, in directions along, normal to, and even opposing the bulk pressure gradient. Such characteristics indicate the dominance of capillary fingering through the micromodel. Velocity burst events, termed Haines jumps, were also captured in the heterogeneous micromodel, during which the local Reynolds number was estimated to be ~21 in the CO 2 phase, exceeding the range of validity of Darcy's law. Furthermore, these drainage events were observed to be cooperative (i.e., across multiple pores simultaneously), with the zone of influence of such events extending beyond tens of pores, confirming, in a quantitative manner, that Haines jumps are nonlocal phenomena. After CO 2 completely breaks through the porous section, shear-induced circulations caused by flowing CO 2 were also observed, in agreement with previous studies using a homogeneous porous micromodel. To our knowledge, this study is the first quantitative measurement that incorporates both reservoir-relevant conditions and rock-inspired heterogeneity, and thus will be useful for pore-scale model development and validation.

42 ENGINEERING↗