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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Approximate constants of motion for classically chaotic vibrational dynamics - Vague tori, semiclassical quantization, and classical intramolecular energy flow

Substantial short time regularity, even in the chaotic regions of phase space, is found for what is seen as a large class of systems. This regularity manifests itself through the behavior of approximate constants of motion calculated by Pade summation of the Birkhoff-Gustavson normal form expansion; it is attributed to remnants of destroyed invariant tori in phase space. The remnant torus-like manifold structures are used to justify Einstein-Brillouin-Keller semiclassical quantization procedures for obtaining quantum energy levels, even in the absence of complete tori. They also provide a theoretical basis for the calculation of rate constants for intramolecular mode-mode energy transfer. These results are illustrated by means of a thorough analysis of the Henon-Heiles oscillator problem. Possible generality of the analysis is demonstrated by brief consideration of classical dynamics for the Barbanis Hamiltonian, Zeeman effect in hydrogen and recent results of Wolf and Hase (1980) for the H-C-C fragment.

Shirts, R. B.↗
DOE OSTI2022

Integration of physiologically relevant photosynthetic energy flows into whole genome models of light‐driven metabolism

SUMMARY Characterizing photosynthetic productivity is necessary to understand the ecological contributions and biotechnology potential of plants, algae, and cyanobacteria. Light capture efficiency and photophysiology have long been characterized by measurements of chlorophyll fluorescence dynamics. However, these investigations typically do not consider the metabolic network downstream of light harvesting. By contrast, genome‐scale metabolic models capture species‐specific metabolic capabilities but have yet to incorporate the rapid regulation of the light harvesting apparatus. Here, we combine chlorophyll fluorescence parameters defining photosynthetic and non‐photosynthetic yield of absorbed light energy with a metabolic model of the pennate diatom Phaeodactylum tricornutum. This integration increases the model predictive accuracy regarding growth rate, intracellular oxygen production and consumption, and metabolic pathway usage. Through the quantification of excess electron transport, we uncover the sequential activation of non‐radiative energy dissipation processes, cross‐compartment electron shuttling, and non‐photochemical quenching as the rapid photoacclimation strategy in P. tricornutum. Interestingly, the photon absorption thresholds that trigger the transition between these mechanisms were consistent at low and high incident photon fluxes. We use this understanding to explore engineering strategies for rerouting cellular resources and excess light energy towards bioproducts in silico . Overall, we present a methodology for incorporating a common, informative data type into computational models of light‐driven metabolism and show its utilization within the design–build–test–learn cycle for engineering of photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Plankton energy flows using a global size-structured and trait-based model

Plankton community models are critical tools for understanding the processes that shape marine plankton communities, how plankton communities impact biogeochemical cycles, and the feedbacks between community structure and function. Here, using the flexible Marine Biogeochemistry Library (MARBL), we present the Size-based Plankton ECological TRAits (MARBL-SPECTRA) model, which is designed to represent a diverse plankton community while remaining computationally tractable. MARBL-SPECTRA is composed of nine phytoplankton and six zooplankton size classes represented using allometric scaling relationships for physiological traits and interactions within multiple functional types. MARBL-SPECTRA is embedded within the global ocean component of the Community Earth System Model (CESM) and simulates large-scale, emergent patterns in phytoplankton growth limitation, plankton phenology, plankton generation time, and trophic transfer efficiency. The model qualitatively reproduces observed global patterns of surface nutrients, chlorophyll biomass, net primary production, and the biogeographies of a range of plankton size classes. In addition, the model simulates how predator:prey dynamics and trophic efficiency vary across gradients in total ecosystem productivity. Shorter food chains that export proportionally more carbon from the surface to the ocean interior occur in productive, eutrophic regions, whereas in oligotrophic regions, the food chains are relatively long and export less organic matter from the surface. The union of functional type modeling with size-resolved, trait-based modeling approaches allows MARBL-SPECTRA to capture both large-scale elemental cycles and the structure of planktonic food webs affecting trophic transfer efficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Controlling Structural, Electronic, and Energy Flow Dynamics of Catalytic Processes through Tailored Nanostructures

MoS 2 (molybdenum disulfide) is a highly-versatile catalyst material for support of numerous reactions from hydrodesulfurization and denitrogenation to the focus of this renewal proposal: hydrogenation of CO/CO 2 towards (higher) alcohols. At the same time, MoS 2 is a non-toxic, environmentally-benign and rather inert material- which under ambient conditions for some time has served as a lubricant and, more recently, as next-generation electronic material. The apparent contrast between inertness and stability in ambient, and catalytic activity under reactive conditions is puzzling and calls for a synergistic theoretical and experimental investigation with the long-term objective of enabling the rational design of MoS 2 -based catalysts for alcohol-formation reactions by providing a microscopic understanding of the environmental factors that determines site activity and selectivity. Our research project seeks answers to the questions (a) what conformation does MoS 2 adopt under reaction conditions (as opposed to that under ultrahigh vacuum and low temperatures)?; (b) what reaction pathways exist on such a material?; (c) how can the local environment of the active sites be manipulated so as to make MoS 2 an efficient catalyst for production of higher alcohol from syngas? In particular, research strategies will explore how the basal plane composed of sulfur atoms can be activated so as to exhibit a reactivity of its own, by addressing three research targets and building on extensive preliminary and enabling work: (1) vacancies and vacancy aggregates on the basal plane; (2) non-local catalyst transformation through alkali doping, hydrogenation and phase transition; (3) fabrication of a metal-nanoparticle-activated MoS 2 system, in which particle anchoring, reactive sites and pathways as well as selectivity are controlled by design, as an example of predictive development of a catalyst material,. All strategies are directed to improve the efficacy of the key reactive sites and selectivity of chemical pathways by design, to replace the inefficient methodology of trial and error in catalyst development. This research project represents a synergistic combination of computational guidance, foundational surface-science-based experiments and validation under reactive conditions that aims at transformative new insights into the working of MoS 2 -based hydrogenation-catalysts, a topic squarely at the center of the interest of DOE BES. Guided and led by Talat Rahman, a computational physicist, this project will apply density functional theory to understand structure, reaction pathways and chemical potentials associated with MoS 2 -based CO/CO 2 hydrogenation, augmented by kinetic Monte Carlo methods for reaction rates and prefactors as well as ab-initio molecular dynamics for evaluation of thermal stability. Complementary experimental input and validation will originate from co-PI Ludwig Bartels, a physical chemist and materials scientist, whose group focuses on local imaging and preparation of MoS 2 materials, from co-PI Peter Dowben, an experimental physicist, whose group is expert in the spectroscopy of occupied and unoccupied electronic states, and from senior collaborator Michael White of Brookhaven National Laboratory, whose group generates high-resolution electronic and activity information on size-selected well-defined metal chalcogenide clusters. This collaborative effort will enable a comprehensive understanding of the correlation of structural integrity and catalytic activity of MoS 2 in forms ranging from extended films to individual particles with known geometries and binding sites. Alcohol formation from syngas is a rapidly emerging application that has great potential through facile, economic, and decentralized biomass gasification. CO 2 activation is one of the most pressing concerns of our time: increasing CO 2 levels in the atmosphere change the climate and expose the globe to environmental transformations with the potential for enormous economic and societal impact. We will investigate CO/CO 2 hydrogenation via an interdisciplinary research collaboration with established synergy – one that, in accordance with the mission of the DOE, involves accredited Hispanic-Serving Institutions and that, through student exchange with international collaborators and National Labs, will directly benefit a broad spectrum of communities and generate human resources in sciences essential to their future.

2D materials↗
NASA NTRS1979

A marching method for calculating line and continuum radiation in high energy flow fields

A method is presented for calculating nongrey radiative fluxes and intensities in a highly ionized, low temperature plasma with extreme line broadening. The method was developed to study radiative heating phenomena in the mass-injected hypersonic shock-layer environments characteristic of outer planet atmospheric entry, although it is not limited to such studies. The radiative properties model assumed local thermodynamic equilibrium and used standard continuum and molecular band models. The atomic line model, however, used a frequency-marching method for the frequency integration, which not only accounted completely for line overlapping (reabsorption) effects, but compared favorably in economy with the best equivalent-width methods. An assessment of hydrogen line-far-wing treatments, with recommendations for engineering models, is also presented.

Bolz, C. W., Jr.↗
NASA NTRS1981

The Jupiter hot plasma torus - Observed electron temperature and energy flows

The detection of the optical emission /O I/ 6300 A (8 + or - 4 R) and /S III/ 6312 A (48 + or - 5 R) is reported. It is noted that these emissions are indicators of the ion source morphology and the plasma physical state and that the S III emitters have a kinetic temperature of approximately 10 to the 6th K. When combined with observations of UV lines from the same species, the optical measurements separately imply effective electron temperatures for radiative processes that are mutually consistent (approximately 50,000 K).

Brown, R. A.↗
NASA NTRS1985

Electromagnetic radiation and nonlinear energy flow in an electron beam-plasma system

It is shown that the unstable electron-plasma waves of a beam-plasma system can generate electromagnetic radiation in a uniform plasma. The generation mechanism is a scattering of the unstable electron plasma waves off ion-acoustic waves, producing electromagnetic waves whose frequency is near the local plasma frequency. The wave vector and frequency matching conditions of the three-wave mode coupling are experimentally verified. The electromagnetic radiation is observed to be polarized with the electric field parallel to the beam direction, and its source region is shown to be localized to the unstable plasma wave region. The frequency spectrum shows negligible intensity near the second harmonic of the plasma frequency. These results suggest that the observed electromagnetic radiation of type III solar bursts may be generated near the local plasma frequency and observed downstream where the wave frequency is near the harmonic of the plasma frequency.

Whelan, D. A.↗
NASA NTRS1985

Coronal temperatures, heating, and energy flow in a polar region of the sun at solar maximum

The profiles of resonantly scattered Lyman-alpha coronal radiation have been used to determine the hydrogen kinetic temperature from 1.5 to 4 solar radius from the center of the polar region of the corona observed in 1980 at solar maximum. Hydrogen temperatures derived from the line profiles were found to decrease with height from 1.2 million K at r = 1.5 solar radii to 600,000 K at r = 4 solar radius. Comparison of the measured kinetic temperatures with predictions from a semiempirical two-fluid model showed evidence of a small amount of heating or a nonthermal contribution to the motions of coronal protons between 1.5 and 4 solar radius. The widths of the profiles confirmed an upper limit of 110 + or - 15 km/s on the rms magnitude of the line-of-sight component of velocities between 1.5 and 4 solar radius. Density measurements obtained in situ in the solar wind in the ecliptic were used to locate the sources of low speed and high-speed winds in the polar region. An eclipse photograph of the corona at solar maximum is provided.

Withbroe, G. L.↗
NASA NTRS1987

Rays versus modes - Pictorial display of energy flow in an open-ended waveguide

The problem of a plane wave impinging on a semiinfinite parallel-plate waveguide is investigated. It is demonstrated that, for waveguide separation large compared to the wavelength, the fields inside the waveguide obey a single ray optics description. The beam behavior persists for more than 1000 lambda into a 50 lambda waveguide. For a small 3 lambda waveguide, the beam picture begins to blur approximately 5 lambda into the guide.

Ling, Hao↗
NASA NTRS1988

Mass and energy flow near sunspots. I - Observations of moat properties

New measurements of the velocities of moving magnetic features (MMFs) are made from spectroheliograms and filtergrams. The sample includes 200 MMFs found in the moats surrounding 7 different sunspots. Our data are compiled with the data from other authors to uncover common properties of moats. The moat radius is roughly twice the penumbral radius. No significant correlation between the average moat velocity or angular extent and any noted property of the spot or moat (size, age, stage of development) is found. Individual MMFs move radially outward with a constant speed, but nearby MMFs may have quite different speeds. The average moat speed is twice the supergranule flow speed. The speed of MMFs in moats is equal on average to the surface gas flow speed. A large bias is found in much of the existing observations of moat speeds from MMFs.

Brickhouse, Nancy S.↗
NASA NTRS2006

Tracking Energy Flow Using a Volumetric Acoustic Intensity Imager (VAIM)

A new measurement device has been invented at the Naval Research Laboratory which images instantaneously the intensity vector throughout a three-dimensional volume nearly a meter on a side. The measurement device consists of a nearly transparent spherical array of 50 inexpensive microphones optimally positioned on an imaginary spherical surface of radius 0.2m. Front-end signal processing uses coherence analysis to produce multiple, phase-coherent holograms in the frequency domain each related to references located on suspect sound sources in an aircraft cabin. The analysis uses either SVD or Cholesky decomposition methods using ensemble averages of the cross-spectral density with the fixed references. The holograms are mathematically processed using spherical NAH (nearfield acoustical holography) to convert the measured pressure field into a vector intensity field in the volume of maximum radius 0.4 m centered on the sphere origin. The utility of this probe is evaluated in a detailed analysis of a recent in-flight experiment in cooperation with Boeing and NASA on NASA s Aries 757 aircraft. In this experiment the trim panels and insulation were removed over a section of the aircraft and the bare panels and windows were instrumented with accelerometers to use as references for the VAIM. Results show excellent success at locating and identifying the sources of interior noise in-flight in the frequency range of 0 to 1400 Hz. This work was supported by NASA and the Office of Naval Research.

Klos, Jacob↗
NASA NTRS2016

Comparison of Radiative Energy Flows in Observational Datasets and Climate Modeling

This study examines radiative flux distributions and local spread of values from three major observational datasets (CERES, ISCCP, and SRB) and compares them with results from climate modeling (CMIP3). Examinations of the spread and differences also differentiate among contributions from cloudy and clear-sky conditions. The spread among observational datasets is in large part caused by noncloud ancillary data. Average differences of at least 10Wm(exp -2) each for clear-sky downward solar, upward solar, and upward infrared fluxes at the surface demonstrate via spatial difference patterns major differences in assumptions for atmospheric aerosol, solar surface albedo and surface temperature, and/or emittance in observational datasets. At the top of the atmosphere (TOA), observational datasets are less influenced by the ancillary data errors than at the surface. Comparisons of spatial radiative flux distributions at the TOA between observations and climate modeling indicate large deficiencies in the strength and distribution of model-simulated cloud radiative effects. Differences are largest for lower-altitude clouds over low-latitude oceans. Global modeling simulates stronger cloud radiative effects (CRE) by +30Wmexp -2) over trade wind cumulus regions, yet smaller CRE by about -30Wm(exp -2) over (smaller in area) stratocumulus regions. At the surface, climate modeling simulates on average about 15Wm(exp -2) smaller radiative net flux imbalances, as if climate modeling underestimates latent heat release (and precipitation). Relative to observational datasets, simulated surface net fluxes are particularly lower over oceanic trade wind regions (where global modeling tends to overestimate the radiative impact of clouds). Still, with the uncertainty in noncloud ancillary data, observational data do not establish a reliable reference.

Raschke, Ehrhard↗