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Results for “O(N) model”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Looking for O(N) Navier-Stokes solutions on non-structured meshes

Multigrid methods are good candidates for the resolution of the system arising in Numerical Fluid Dynamics. However, the question is to know if those algorithms which are efficient for the Poissan equation on structured meshes will still apply well to the Euler and Navier-Stokes equations on unstructured meshes. The study of elliptic problems leads us to define the conditions where a Full Multigrid strategy has O(N) complexity. The aim of this paper is to build a comparison between the elliptic theory and practical CFD problems. First, as an introduction, we will recall some basic definitions and theorems applied to a model problem. The goal of this section is to point out the different properties that we need to produce an FMG algorithm with O(N) complexity. Then, we will show how we can apply this theory to the fluid dynamics equations such as Euler and Navier-Stokes equations. At last, we present some results which are 2nd-order accurate and some explanations about the behavior of the FMG process.

Morano, Eric↗
DOE OSTI2023

Realizing Wide-Gamut Human-Centric Display Lighting with K 3 AlP 3 O 9 N:Eu 2+

Abstract Computers, televisions, and smartphones are revolutionized by the invention of InGaN blue light-emitting diode (LED) backlighting. Yet, continual exposure to the intense blue LED emission from these modern displays can cause insomnia and mood disorders. Developing “human-centric” backlighting that uses a violet-emitting LED chip and a trichromatic phosphor mixture to generate color images is one approach that addresses this problem. The challenge is finding a blue-emitting phosphor that possesses a sufficiently small Stokes’ shift to efficiently down-convert violet LED light and produce a narrow blue emission. This work reports a new oxynitride phosphor that meets this demand. K 3 AlP 3 O 9 N:Eu 2+ exhibits an unexpectedly narrow (45 nm, 2206 cm -1 ), thermally robust, and efficient blue photoluminescence upon violet excitation. Computational modeling and temperature-dependent optical property measurements reveal that the narrow emission arises from a rare combination of preferential excitation and site-selective quenching. The resulting chromaticity coordinates of K 3 AlP 3 O 9 N:Eu 2+ lie closer to the vertex of the Rec. 2020 than a blue LED chip and provides access to ≈10% more colors than a commercial tablet when combined with commercial red- and green-emitting phosphors. Alongside the wide gamut, tuning the emission from the violet LED and phosphor blend can reduce blue light emissions to produce next-generation, human-centric displays.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Models of H II regions - Heavy element opacity, variation of temperature

A detailed set of H II region models that use the same physics and self-consistent input have been computed and are used to examine where in parameter space the effects of heavy element opacity is important. The models are briefly described, and tabular data for the input parameters and resulting properties of the models are presented. It is found that the opacities of C, Ne, O, and to a lesser extent N play a vital role over a large region of parameter space, while S and Ar opacities are negligible. The variation of the average electron temperature T(e) of the models with metal abundance, density, and T(eff) is investigated. It is concluded that by far the most important determinator of T(e) is metal abundance; an almost 7000 K difference is expected over the factor of 10 change from up to down abundances.

Rubin, R. H.↗
DOE OSTI2020

Hybrid Carbon Dioxide Reduction Photocatalysts Consisting of Macrocyclic Cobalt(III) Complexes Deposited on Semiconductor Surfaces

Hybrid photocatalysts can be prepared by coupling metal ligand complexes with light-harvesting semiconductors. It is often challenging and time consuming to derivatize ligands with anchoring groups to effectively attach onto surfaces. In this study, we synthesized hybrid carbon dioxide reduction photocatalysts by directly depositing two macrocyclic Co(III) complexes on three different semiconductor surfaces (TiO 2 , N-Ta 2 O 5 and C 3 N 4 ). The resulting hybrid photocatalysts were characterized with various techniques and tested in CO 2 reduction reactions under different light conditions. Excellent visible-light CO 2 -reduction activity was obtained using C 3 N 4 as the light-harvesting semiconductor. Furthermore, density functional theory calculations were conducted to help understand interactions between the cobalt complexes with a model TiO 2 surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Vibrational spectroscopy of shock compressed condensed phase nitrous oxide: Frequency shifts in the ν 1 mode

Over many years, we have published vibrational spectra of molecular materials at extreme pressure and temperature obtained using shock compression and coherent Raman spectroscopy methods. For diatomic molecules, we were able to extract vibrational temperatures from the intensities of spectrally resolved vibrational hot bands. Larger molecules in the condensed phase suffer band broadening effects that obscure the vibrational hot bands as the anharmonicities are typically smaller than the widths of the bands. This inability to resolve the hot bands inhibits the extraction of vibrational temperature and the measurement of the vibrational frequency of the fundamental. Here, we use a hot band model based on gas-phase anharmonic coupling coefficients to fit coherent anti-Stokes Raman spectra of the ν 1 vibrational mode of shock compressed condensed phase N 2 O with shock pressures and temperatures estimated from literature equations of state and compare to fits from a model using a single Gaussian peak. We report the resulting vibrational frequency shifts with shock pressure.

36 MATERIALS SCIENCE↗
NASA NTRS1994

ASCA observations of the coronal X-ray emission of Algol

We report a 1.7 day ASCA X-ray observation of the 2.87 day binary Algol (Beta Per), centered on the secondary eclipse. Spectra accumulated for different intensity states show a prominent He-like iron K line at 6.7 keV. A two-temperature variable abundance plasma model applied to the spectra yielded temperatures of approximately 8 and approximately 30 MK. The modeled coronal abundances of Fe, O, Mg, Si, S, Ar, and Ca were a factor of 2-3 below the solar photospheric value, and N less than 0.1. These model abundance anomalies are similar to those found from the ASCA spectra of other late-type stars and may indicate either true deviations from solar abundances or problems with the assumptions and atomic physics of the plasma models. The X-ray light curve shows a factor of 2 increase in flux over 13 hr beginning in the middle of the secondary eclipse, with a shallow eclipse centered on phase 0.45. The orbital light curve is similar to that observed by ROSAT 1 year earlier. The rise in flux is caused by an increase in the emission measure of the higher temperature component. The intensity variation is not associated with any major change in the abundances or temperature of the two components.

Antunes, A.↗
DOE OSTI2021

Bioenergy sorghum maintains photosynthetic capacity in elevated ozone concentrations

Abstract Elevated tropospheric ozone concentration (O 3 ) significantly reduces photosynthesis and productivity in several C 4 crops including maize, switchgrass and sugarcane. However, it is unknown how O 3 affects plant growth, development and productivity in sorghum ( Sorghum bicolor L.), an emerging C 4 bioenergy crop. Here, we investigated the effects of elevated O 3 on photosynthesis, biomass and nutrient composition of a number of sorghum genotypes over two seasons in the field using free‐air concentration enrichment (FACE), and in growth chambers. We also tested if elevated O 3 altered the relationship between stomatal conductance and environmental conditions using two common stomatal conductance models. Sorghum genotypes showed significant variability in plant functional traits, including photosynthetic capacity, leaf N content and specific leaf area, but responded similarly to O 3 . At the FACE experiment, elevated O 3 did not alter net CO 2 assimilation ( A ), stomatal conductance ( g s ), stomatal sensitivity to the environment, chlorophyll fluorescence and plant biomass, but led to reductions in the maximum carboxylation capacity of phosphoenolpyruvate and increased stomatal limitation to A in both years. These findings suggest that bioenergy sorghum is tolerant to O 3 and could be used to enhance biomass productivity in O 3 polluted regions.

09 BIOMASS FUELS↗
NASA NTRS1990

Recursive dynamics for geared robot manipulators

The authors consider the dynamical modeling of robot manipulators whose joint actuators consist of motors driving the joints through gears. The dynamical models for such manipulators are significantly more complex than those for direct drive manipulators. The authors develop recursive O(n) inverse and forward dynamics algorithms as well as recursive O(n2) algorithms for the computation of the mass matrix for geared manipulators. It is shown that, despite the added complexity of the dynamical models for geared manipulators, the algorithms closely resemble the corresponding algorithms for direct drive manipulators, and that the additional algorithmic or computational complexity is relatively insignificant. As a consequence, with little additional cost, existing direct drive algorithms can be easily extended to handle the effects of gearing at the joints.

Jain, A.↗
NASA NTRS1984

A Model of the Soft X-ray Background as a Blast Wave Viewed from Inside

The suggestion that the soft X-ray background arises in part from the Sun which is inside a large supernova blastwave was examined by models of spherical blastwaves. The models can produce quantitative fits to both surface brightnesses and energy band ratios when t = 10 to the 5th power E sub o = 5 x 10 to the 50th power ergs, and n sub approx. 0.004 cm to the -3 power. The models are generalized by varying the relative importance of factors such as thermal conduction, Coulomb heating of electrons, and external pressure; and to allow the explosions to occur in preexisting cavities with steep density gradients, or by examination of the effects of large obstructions or other anisotrophies in the ambient medium.

Edgar, R. J.↗
DOE OSTI2021

Precipitation and nitrogen application stimulate soil nitrous oxide emission

Precipitation and nitrogen (N) fertilization are the two most important drivers for soil nitrous oxide (N 2 O) emission. However, the effects of changes in N fertilization and precipitation patterns (i.e., precipitation intensity and frequency) on N 2 O emissions in agricultural fields are still unclear. In this study, we simulated soil N 2 O emission under different precipitation patterns (6 precipitation intensities, and 12 precipitation frequencies by either merging or splitting precipitation events) and N fertilization rates (low, typical, and high N fertilization) in a cornfield using the DeNitrification-DeComposition model. The model was parameterized and validated using meteorological data and N experimental measurements in Nashville, Tennessee, USA. Results showed that soil water filled pore space (WFPS) and simulated soil N 2 O emission increased as precipitation intensity increased. Less frequent but high intensity precipitation treatments reduced the soil WFPS by 25.2% and stimulated soil N 2 O emission by 45.3%, while more frequent but low intensity precipitation treatments increased soil WFPS by 9.0% and reduced soil N 2 O emission by 23.9%. Compared to typical N fertilization, the sensitivity of soil N 2 O emission to precipitation was higher under high N than low N fertilization treatments, and the response ratios were 50.0% and 40.1%, respectively. There was significant interactive effect of precipitation intensity and N fertilization on soil N 2 O emission. Furthermore, these findings improved our understanding of precipitation and N impacts on soil N 2 O emissions and provided useful knowledge for irrigation and N fertilizer management in agriculture to mitigate greenhouse gas emissions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Database of theoretical thermosphere/ionosphere predictions

The National Center for Atmospheric Research (NCAR) thermosphere-ionosphere general circulation model has performed a series of self-consistent calculations of the thermosphere/ionosphere structure for a variety of geophysical conditions. The model simulates March, June, and December periods for solar cycle minimum and maximum for three levels of geomagnetic activity representing quiet, moderate, and disturbed conditions. The calculations include predictions of N2, O2, O, N(sup 4)S, N(sup 2)D, NO, N2(+), O2(+), O(+), NO(+), and N(+), along with the ion, electron, and neutral temperatures and three components of the neutral winds. The model simulations are available from the authors or through the Coupling, Energetic, and Dynamics of Atmospheric Regions database at NCAR.

Fesen, C. G.↗
DOE OSTI2021

A Thioether-Ligated Cupric Superoxide Model with Hydrogen Atom Abstraction Reactivity

The central role of cupric superoxide intermediates proposed in hormone and neurotransmitter biosynthesis by noncoupled binuclear copper monooxygenases like dopamine-β-monooxygenase has drawn significant attention to the unusual methionine ligation of the Cu M (“Cu B ”) active site characteristic of this class of enzymes. The copper–sulfur interaction has proven critical for turnover, raising still-unresolved questions concerning Nature’s selection of an oxidizable Met residue to facilitate C–H oxygenation. We describe herein a model for Cu M , [( TMG N 3 S)Cu I ] + ([1] + ), and its O 2 -bound analog [( TMG N 3 S)Cu II (O 2 •– )] + ([1·O 2 ] + ). The latter is the first reported cupric superoxide with an experimentally proven Cu–S bond which also possesses demonstrated hydrogen atom abstraction (HAA) reactivity. Introduction of O2 to a precooled solution of the cuprous precursor [1]B(C 6 F 5 ) 4 (-135 °C, 2-methyltetrahydrofuran (2-MeTHF)) reversibly forms [1·O 2 ]B(C 6 F 5 ) 4 (UV/vis spectroscopy: λ max 442, 642, 742 nm). Resonance Raman studies (413 nm) using 16 O 2 [ 18 O 2 ] corroborated the identity of [1·O 2 ] + by revealing Cu–O (446 [425] cm –1 ) and O–O (1105 [1042] cm –1 ) stretches, and extended X-ray absorption fine structure (EXAFS) spectroscopy showed a Cu–S interatomic distance of 2.55 Å. HAA reactivity between [1·O 2 ] + and TEMPO–H proceeds rapidly (1.28 × 10 –1 M –1 s –1 , -135 °C, 2-MeTHF) with a primary kinetic isotope effect of kH/kD = 5.4. Comparisons of the O 2 -binding behavior and redox activity of [1] + vs [2] + , the latter a close analog of [1]+ but with all N atom ligation (i.e., N 3 S vs N 4 ), are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Spectral variability in early-type binary X-ray systems

Theoretical models for the ionization of trace elements in a strong stellar wind by a compact binary X-ray source and for the resulting orbital phase dependence of the emergent soft X-ray spectra and the profiles of ultraviolet resonance lines are presented. Model results agree qualitatively with the X-ray and ultraviolet spectra of the system 4U 0900-40/HD 77581 and explain the suppression of the absorption profiles of the Si IV upsilon 1394 and C IV upsilon 1548 lines when the X-ray sources is in front of the star. The model predicts that the absorption profiles of the N V upsilon 1239 and O VI upsilon 1032 lines will be enhanced rather than suppressed during this orbital phase. We predict phase-dependent linear polarization in the resonance lines profiles. Future observations of these phase dependent effects in early-type binary X-ray systems may be used to investigate the dynamics of stellar winds and their interactions with the X-ray source.

Mccray, R.↗
NASA NTRS1984

Spectral variability in early-type binary X-ray systems

Theoretical models for the ionization of trace elements in a strong stellar wind by a compact binary X-ray source and for the resulting orbital phase dependence of the emergent soft X-ray spectra and the profiles of ultraviolet resonance lines are presented. Model results agree qualitatively with the X-ray and ultraviolet spectra of the system 4U 0900-40/HD 77581 and explain the suppression of the absorption profiles of the Si IV upsilon 1394 and C IV upsilon 1548 lines when the X-ray sources are in front of the star. The model predicts that the absorption profiles of the N V upsilon 1239 and O VI upsilon 1032 lines will be enhanced rather than suppresed during this orbital phase.Phase-dependent linear polarization in the resonance lines profiles is predicted. Future observations of these phase dependent effects in early-type binary X-ray systems may be used to investigate the dynamics of stellar winds and their interactions with the X-ray source.

Kallman, T. R.↗
NASA NTRS1990

Real-time adaptive aircraft scheduling

One of the most important functions of any air traffic management system is the assignment of ground-holding times to flights, i.e., the determination of whether and by how much the take-off of a particular aircraft headed for a congested part of the air traffic control (ATC) system should be postponed in order to reduce the likelihood and extent of airborne delays. An analysis is presented for the fundamental case in which flights from many destinations must be scheduled for arrival at a single congested airport; the formulation is also useful in scheduling the landing of airborne flights within the extended terminal area. A set of approaches is described for addressing a deterministic and a probabilistic version of this problem. For the deterministic case, where airport capacities are known and fixed, several models were developed with associated low-order polynomial-time algorithms. For general delay cost functions, these algorithms find an optimal solution. Under a particular natural assumption regarding the delay cost function, an extremely fast (O(n ln n)) algorithm was developed. For the probabilistic case, using an estimated probability distribution of airport capacities, a model was developed with an associated low-order polynomial-time heuristic algorithm with useful properties.

Kolitz, Stephan E.↗
NASA NTRS2004

Predicting the Atmospheric Composition of Extrasolar Giant Planets

To date, approximately 120 planet-sized objects have been discovered around other stars, mostly through the radial-velocity technique. This technique can provide information about a planet s minimum mass and its orbital period and distance; however, few other planetary data can be obtained at this point in time unless we are fortunate enough to find an extrasolar giant planet that transits its parent star (i.e., the orbit is edge-on as seen from Earth). In that situation, many physical properties of the planet and its parent star can be determined, including some compositional information. Our prospects of directly obtaining spectra from extrasolar planets may improve in the near future, through missions like NASA's Terrestrial Planet Finder. Most of the extrasolar giant planets (EGPs) discovered so far have masses equal to or greater than Jupiter's mass, and roughly 16% have orbital radii less than 0.1 AU - extremely close to the parent star by our own Solar-System standards (note that Mercury is located at a mean distance of 0.39 AU and Jupiter at 5.2 AU from the Sun). Although all EGPs are expected to have hydrogen-dominated atmospheres similar to Jupiter, the orbital distance can strongly affect the planet's temperature, physical, chemical, and spectral properties, and the abundance of minor, detectable atmospheric constituents. Thermochemical equilibrium models can provide good zero-order predictions for the atmospheric composition of EGPs. However, both the composition and spectral properties will depend in large part on disequilibrium processes like photochemistry, chemical kinetics, atmospheric transport, and haze formation. We have developed a photochemical kinetics, radiative transfer, and 1-D vertical transport model to study the atmospheric composition of EGPs. The chemical reaction list contains H-, C-, O-, and N-bearing species and is designed to be valid for atmospheric temperatures ranging from 100-3000 K and pressures up to 50 bar. Here we examine the effect of stellar distance (e.g., incident ultraviolet flux, atmospheric temperature) on the chemical properties of EGPs. The model is applied to two generic Class II and III intermediate temperature EGPs located at 3.3 and 0.27 AU from a solar-like parent star, and the results are compared with a model for Jupiter at 5.2 AU.

Sharp, A. G.↗