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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 973 records · Page 54

Studying Cloud and Radiative Impacts Through an Improved Physically Based Representation of Organic Aerosol in a Large-Scale Model (WRF-Chem) (Final Report)

The work performed under this award resulted in the development of a computationally-efficient kinetic model to simulate the chemistry, thermodynamics, and microphysics of organic aerosol. Versions of the kinetic model were used to study a suite of aerosol processes including, multigenerational gas-phase chemistry, phase-state influenced gas/particle partitioning, heterogeneous oxidation, oligomerization reactions, and experimental artifacts. The kinetic model has now been implemented into a regional chemistry-climate model (WRF-Chem) to further study the formation, evolution, properties, and spatiotemporal distribution of organic aerosol at urban, regional, and global scales.

54 ENVIRONMENTAL SCIENCES↗

Multi-fidelity information fusion and resource allocation

This project created and demonstrated a framework for the efficient and accurate prediction of complex systems with only a limited amount of highly trusted data. These next generation computational multi-fidelity tools fuse multiple information sources of varying cost and accuracy to reduce the computational and experimental resources needed for designing and assessing complex multi-physics/scale/component systems. These tools have already been used to substantially improve the computational efficiency of simulation aided modeling activities from assessing thermal battery performance to predicting material deformation. This report summarizes the work carried out during a two year LDRD project. Specifically we present our technical accomplishments; project outputs such as publications, presentations and professional leadership activities; and the project’s legacy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

IER-518: Data Analysis for High Multiplication Subcritical Experiments [Slides]

This presentation begins with a discussion of goals & motivation. This lecture then covers: experimental configurations, computational models, experimental measurements and simulations. Finally, this presentation concludes with data analysis & results plus a conclusion.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Support for the 2024 American Conference on Theoretical Chemistry (ACTC) (Final Report)

Funds are requested in support of the 2024 American Conference on Theoretical Chemistry. Funds are being requested from the Department of Energy in support of conference registration fees for graduate student and post-doctoral researcher registration fees. This conference will be held in North Carolina, and between 200 and 250 participants are expected. This is the major North American meeting of theoretical chemists, showcasing diverse developments in all aspects of modern theory, including methods development and applications. Applications span all aspects of chemistry, biochemistry, and materials science, including important applications to energy science. The conference will include four days of seminars and poster sessions. As well as serving as a meeting ground for sharing scientific developments and discoveries, the meeting also serves as a locus for mentoring and career development involving younger scientists. The meeting will be chaired by Prof. David Beratan of Duke University, and he will be assisted by other faculty from the region: Profs. Weitao Yang (Duke), Patrick Charbonneau (Duke), Yosuke Kanai (University of North Carolina - Chapel Hill), Zhiyue Lu (University of North Carolina - Chapel Hill), and Elena Jakubikova (North Carolina State University). This group will form a conference commitee that will define thematic topics for the conference, will invite speakers, and will assist with running the conference.

14 SOLAR ENERGY↗

Utilization of Carbon Supply Chain Wastes and Byproducts to Manufacture Graphite for Energy Storage Applications

This project explored how coal and waste coal can be transformed into high-value graphite used in batteries for electric vehicles and power grids. A manufacturing technique that converts coal into carbon foam and subsequently graphite was developed and refined to improve the thermal and mechanical properties of the resulting materials. Cost-effectiveness and environmental impacts were also evaluated. Coal-derived graphite, especially when processed at high temperatures, was shown to perform comparably to commercial graphite in battery tests. Advanced computer simulations were used to model battery behavior and predict long-term performance, demonstrating that coal-based graphite has the potential to support electric vehicle deployment while reducing reliance on imported materials. This work offers a promising pathway for cleaner energy storage solutions and creates economic opportunities for coal-reliant communities by generating new uses for mining byproducts.

01 COAL, LIGNITE, AND PEAT↗

Cytochrome Nanowire XRD

Microbial metabolism plays an important role in the global cycling of carbon, nutrients, and metals. Recent discovery of microorganisms sharing energy using direct electrical connections might represent a prominent strategy by which anaerobic microorganisms interact with the diversity of environments. The purpose of the proposed research is to apply these newly developed principles of electron exchange in microbial communities to the study of biogeochemical cycling in climate and subsurface systems. Previous studies revealed that soil bacteria Geobacter sulfurreducens produce conductive pili nanofilaments that facilitate long-range electron transport to extracellular electron acceptors and other cells. This discovery has already transformed our understanding of the function of microbial communities in diverse environments, making basic contributions to microbial ecology and helping to improve practical applications such as increasing current output of microbial fuel cells and enhancing the conversion of organic waste to methane. Microbial electron exchange via pili may also contribute to methane production in terrestrial environments that are major sources of atmospheric methane. However, the mechanism of electron transport through pili is not well understood. Initial studies have suggested that pili exhibit metallic-like conductivity similar to conducting polymer polyaniline. However, these studies were limited to electrical measurements. X-ray diffraction studies have suggested that aromatic amino acids tyrosine and phenylalanine are closely packed in pili. But these studies used homology modeling to predict the pilus assembly and information about the number of monomers in each pilus assembly unit and their organization are still lacking. The central hypothesis of this proposal is aromatics in pili enable intermolecular electron delocalization due to pi-stacking that can give rise to metallic-like conductivity. By analyzing pili structure using infrared scattering-scanning near field optical microscope (IR s-SNOM) and combining with solution NMR, Focused Ion Beam (FIB and computational capabilities, this work will provide comprehensive understanding of the conduction mechanism from a structure-function perspective. The specific aims are: 1) With infrared scattering scanning near field optical microscope (IR s-SNOM), image the organization and density of pilin monomers and pH-induced conformational changes in a pilus filament. 2) With solution NMR, resolve pH-induced structural changes in the pilin monomer. 3) Using Focused Ion Beam (FIB), draw electrodes on single pili to measure their conductivity. 4) With computational modeling using the NWChem, simulate the effect of environment on the electronic properties of pili as a function of pH. The proposed work will gain the nanoscale insight into the structure of the pili, as the basis for understanding interspecies electrical communications. The improved understanding will be harnessed to accelerate bioenergy production and bioremediation using pili as well as for predictive modeling of carbon cycling in diverse environments to reach the central goals of DOE-BER to develop sustainable energy sources, regulate the contaminants in the subsurface and understand the effects of greenhouse gas emissions on biosphere. The proposed studies will provide design principles for engineering of electrical interactions among these communities by manipulating the amino acid composition of pili. Moreover, these studies will identify the forces that maintain the function of these communities in the face of environmental perturbation. Therefore, these studies will help to address the need "to incorporate process understanding of biogeochemical cycling into a scalable hierarchy of predictive capabilities" specified in EMSL's Science Themes.

59 BASIC BIOLOGICAL SCIENCES↗

Design for pressure regulating components

The design development for Pressure Regulating Components included a regulator component trade-off study with analog computer performance verification to arrive at a final optimized regulator configuration for the Space Storable Propulsion Module, under development for a Jupiter Orbiter mission. This application requires the pressure regulator to be capable of long-term fluorine exposure. In addition, individual but basically identical (for purposes of commonality) units are required for separate oxidizer and fuel pressurization. The need for dual units requires improvement in the regulation accuracy over present designs. An advanced regulator concept was prepared featuring redundant bellows, all metallic/ceramic construction, friction-free guidance of moving parts, gas damping, and the elimination of coil springs normally used for reference forces. The activities included testing of actual size seat/poppet components to determine actual discharge coefficients and flow forces. The resulting data was inserted into the computer model of the regulator. Computer simulation of the propulsion module performance over two mission profiles indicated satisfactory minimization of propellant residual requirements imposed by regulator performance uncertainties.

Wichmann, H.↗

Rigid body mode pointing accuracy and stability criteria for an orbiting spacecraft

The effect of gravity gradient torque disturbances (which is an order of magnitude greater than the other torque disturbances and is sinusoidal with a frequency of two cycles per orbit) on pointing accuracy can be predicted very precisely. However, since the sensor noise such as star tracker and gyro inherent noise, is random, their effect can only be predicted statistically. The most common method used is computer simulation with appropriate sensor model and adjusting spacecraft control laws for minimum pointing error, as presented by Harris (1972). The general investigation outlined theoretically relates spacecraft controls to pointing accuracy in terms of the sensor noise power spectrum. The results are presented in graphical form.

Sandhu, G. S.↗

Photometric confirmation of the Encke division in Saturn's ring A

A physical model of the behavior of Saturn's satellite Iapetus passing through the shadow of the rings is discussed. The model is examined via computer simulation to give photometric confirmation of the Encke division in ring A. The actual event was observed with a two-channel sky-chopping photometer. Simultaneous pulse-counter output from the red and blue channels was integrated for 10-ms intervals alternately on the sky and on Iapetus. In the computer simulation a solar limb-darkening coefficient was used in the blue region and Iapetus was considered two limb-darkened hemispheres of radii 800 km with the trailing hemisphere brighter than the preceding hemisphere by a factor of seven.

Reitsema, H. J.↗

Collapse and relaxation of rotating stellar systems

The evolution of initially spherical, uniform-density, and uniform-velocity-dispersion stellar systems is investigated by means of a three-dimensional N-body computer model. Some 100,000 simulation stars are used to follow the collapse and relaxation of the system for various amounts of angular momentum in solid-body rotation. For initially low values of the angular momentum satisfying the Ostriker-Pebbles stability criterion the systems quickly relax to an axisymmetric shape and resemble elliptical galaxies in appearance. The maximum flattening for these systems is equivalent only to an E2 system. For larger values of the initial angular momentum bars develop, and the systems undergo a much more drastic evolution. The apparent rotational and random velocities of the barred systems are very sensitive to the viewing direction. An additional complication is the frequent misalignment of the apparent major axis with the direction that reflects the maximum rotation.

Hohl, F.↗

Advanced risk assessment of the effects of graphite fibers on electronic and electric equipment

An assessment of the risk associated with accidents involving aircraft with carbon fiber composite structural components is examined. The individual fiber segments cause electrical and electronic equipment to fail under certain operating conditions. A Monte Carlo simulation model was used to computer the risk. Aircraft accidents with fire, release of carbon fiber material, entrainment of carbon fibers in a smoke plume transport of fibers downwind, transfer of some fibers/into the the interior of buildings, failures of electrical and electronic equipment, and economic impact of failures are discussed. Risk profiles were prepared for individual airports and the Nation. The vulnerability of electrical transmission equipment to carbon fiber incursion and aircraft accident total costs is investigated.

Pocinki, L.↗

Discrete model reference adaptive systems with measurement noise

A digital computer simulation study is presented for a class of discrete model reference adaptive systems designed using Liapunov's direct method. Plant output measurements are assumed to contain uniformly distributed additive noise. It is shown that the design works well even when such noise is relatively extreme. A new result is presented pertaining to improving the convergence properties of these systems. This result is obtained by modifying the dynamic characteristics of the augmented error equation.

Monopoli, R. V.↗

Automatic control of NASA Langley's 0.3-meter cryogenic test facility

Experience during the past 6 years of operation of the 0.3-meter transonic cryogenic tunnel at the NASA Langley Research Center has shown that there are problems associated with efficient operation and control of cryogenic tunnels using manual control schemes. This is due to the high degree of process crosscoupling between the independent control variables (temperature, pressure, and fan drive speed) and the desired test condition (Mach number and Reynolds number). One problem has been the inability to maintain long-term accurate control of the test parameters. Additionally, the time required to change from one test condition to another has proven to be excessively long and much less efficient than desirable in terms of liquid nitrogen and electrical power usage. For these reasons, studies have been undertaken to: (1) develop and validate a mathematical model of the 0.3-meter cryogenic tunnel process, (2) utilize this model in a hybrid computer simulation to design temperature and pressure feedback control laws, and (3) evaluate the adequacy of these control schemes by analysis of closed-loop experimental data. This paper will present the results of these studies.

Thibodeaux, J. J.↗

Solidification zoning and metallographic cooling rates of chondrites

The cooling rates of chondrites have been determined according to the cooling rate method of Wood (1967) which involves the measurement of the concentration of nickel in the interiors of taenite grains of various sizes. The present paper presents an investigation of the effect of zoning produced during solidification on the use of the Wood method. Cooling rate curves were obtained in a computer simulation based on a model of kamacite formation on the outer edge of a taenite sphere of uniform initial composition, followed by the inward radial progression of the kamacite-taenite interface. When a concentration gradient produced by solidification is present in the initial conditions, deviations from the cooling rate curves for uniform 10% Ni are obtained only at cooling rates greater than 1000 K/million years, which would result in an overestimation of the cooling rates based on observed Ni gradients in grains of radius greater than 20 microns.

Willis, J.↗

Computational analysis of the SSME fuel preburner flow

A computational fluid dynamics model which simulates the steady state operation of the SSME fuel preburner is developed. Specifically, the model will be used to quantify the flow factors which cause local hot spots in the fuel preburner in order to recommend experiments whereby the control of undesirable flow features can be demonstrated. The results of a two year effort to model the preburner are presented. In this effort, investigating the fuel preburner flowfield, the appropriate transport equations were numerically solved for both an axisymmetric and a three-dimensional configuration. Continuum's VAST (Variational Solution of the Transport equations) code, in conjunction with the CM-1000 Engineering Analysis Workstation and the NASA/Ames CYBER 205, was used to perform the required calculations. It is concluded that the preburner operational anomalies are not due to steady state phenomena and must, therefore, be related to transient operational procedures.

Wang, T. S.↗

Research relative to an advanced rod control system for quadrupole mass spectrometry applications

The design of a suitable amplifier output stage using available transistors and passive components is summarized. All of the analysis and calculation confirm that it is feasible to design the amplifier and quadrupole coupling circuit needed for the Advanced Rod Control System. The progress obtained so far concerning the three frequency tank circuits to be used in the oscillator for the mass spectrometer of the Cometary Rendezvous Asteroid Flyby (CRAF) project is presented. Results from this study look promising. However, it is not known what minimum impedance levels are required to make it possible for the oscillator to work properly. Therefore, it is necessary to construct a prototype circuit in the laboratory which can be measured and tested in an oscillator circuit. Continued attempts will be made to develop a useful inductor motor with better characteristics than the one being used at the moment. It is important that such a model be found if computer simulation is to reflect reality more closely.

Carignan, George R.↗