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At least 1,279 records · Page 71

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Carbon Calculator for Land Use and Land Management Change from Biofuels Production (CCLUB)

09 BIOMASS FUELS↗

DOE OSTI2021

Carbon Calculator for Land Use and Land Management Change from Biofuels Production (CCLUB)

The Carbon Calculator for Land Use and Land Management Change from Biofuels Production (CCLUB) has been developed as an integral part of Argonne National Laboratory’s Greenhouse Gases, Regulated Emissions, and Energy use in Technologies (GREET) model to analyze greenhouse gas (GHG) emissions from land use change (LUC) and land management change (LMC) in the context of overall biofuel life-cycle analysis (LCA). CCLUB relies on i) biofuel production scenarios, ii) LUC and LMC scenarios, and iii) emission factors (EF) to generate GHG emissions of LUC and LMC for biofuel production in gram carbon dioxide equivalent (CO2e) per MJ of fuel produced. Figure 1 outlines the calculations and data sources within CCLUB that are described in this document and Table 1 identifies where these data are stored and used within CCLUB, which is built in Microsoft Excel.

09 BIOMASS FUELS↗

DOE OSTI2021

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↗

NASA NTRS1978

Bulb Miser

The Bulb-Miser was developed during NASA's Apollo program to protect the Saturn launch vehicle from electrical current surge. It is now being produced for the commercial market by Bulb-Miser, Inc., Houston, Texas. Technically known as a "temperature compensating thermistor," the Bulb-Miser is a simple, inexpensive device which looks like a washer about the size of a quarter. It is slipped between bulb and socket and can be used with any incandescent bulb that screws into a standard socket. In addition to delaying burnout, the Bulb-Miser also offers some reduction of electrical energy. But the economy of the device goes beyond energy use or bulb cost; to big users of bulbs, it makes possible substantially lower maintenance labor costs. One field test involving an apartment complex showed that it took two men 30 man hours monthly to replace light bulbs; after Bulb-Miser installation only nine man hours a month were needed. Bulb-Misers are used not only in private homes but also by hospitals, schools, hotels and motels, restaurants, banks and firms providing contract maintenance for large outdoor electric signs. The broadest use is in industrial facilities; the list of big companies which have purchased the Bulb-Miser reads like a Who's Who of American industry.

Source record↗

DOE OSTI2020

Software Coordinates Multiple Smart Devices and User Preferences, Redefining "Smart" Homes

NREL developed foresee™ to achieve users' preferences while simplifying the coordination of when and how a home's connected appliances and electronics use energy. This reduces complexity and improves the consistency and diversity of whole-home outcomes. These include enhanced comfort, convenience, reduced costs, and lower environmental impact based on input from the homeowner. The software accounts for time-of-use rates and is compatible with smart products from any manufacturer.

automation↗

DOE OSTI2022

Oxidation kinetics of SPS-densified U 3 Si 2 fuels—Microstructure impact

Here, U 3 Si 2 is a potential candidate for accident tolerant fuels because of its high uranium density and excellent thermal conductivity in comparison to UO 2 . However, U 3 Si 2 suffers from oxidation, steam corrosion, and subsequent disintegration/pulverization. The detailed investigation of kinetics that incorporates fundamental treatment of oxidation of U 3 Si 2 is scarcely reported, and the oxidation mechanisms have not been fully elucidated. In this paper, the oxidation behavior of microcrystalline (mc - ) and nanocrystalline (nc - ) U 3 Si 2 have been systematically investigated using a thermogravimetric analysis (TGA) apparatus through a series of isothermal and non-isothermal kinetic studies. The isothermal kinetic study with a model-fitting approach indicates oxidation activation energy of 85 kJ/mol for dense mc - U 3 Si 2 and 96.4 kJ/mol for nc - U 3 Si 2 pellets, while the isoconversional approach leads to an activation energy in the range of 70–85 kJ/mol for mc - U 3 Si 2 and 75–86 kJ/mol for nc - U 3 Si 2 with three most common model-free methods, including Kissinger–Akahira–Sunose, Flynn–Wall–Ozawa, and Friedman methods. The derivation of oxidation activation energies using both isothermal and isoconversional methods highlights the approach to evaluate the oxidation resistance of nuclear materials using TGA quantitatively and makes it possible to compare among various nuclear fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Aggregation of Size-Selected Oxide Clusters Deposited onto Au(111)

Kinetic Monte Carlo (kMC) simulations along with density functional theory (DFT) calculations were used to investigate the aggregation of size-selected Nb 3 O y (y = 5, 6, 7) clusters deposited onto the Au(111) surface. Recent STM experiments showed that the cluster binding sites and sizes of the cluster assemblies on the Nb 3 O y /Au(111) surfaces strongly depend on the stoichiometry of the clusters, i.e., the oxygen-to-niobium ratio. To better understand the origins of these differences, kMC simulations of the nucleation and growth of cluster assemblies were performed using energy barriers for diffusion and intercluster interactions estimated from DFT calculations of cluster binding and dimerization energies, respectively. Comparisons of the kMC simulations with STM images of the as-deposited Nb 3 O y /Au(111) surfaces at RT and after high temperature annealing were used to further optimize the energetics and gauge the importance of nearest neighbor interactions. The kMC simulations demonstrate that the assembly of Nb 3 O y clusters on Au(111) are largely controlled by the magnitude of the barriers for diffusion and interparticle-bond formation, while changes at higher temperatures are sensitive to the binding energies between nearest neighbors. Simulations for the Nb 3 O 5 and Nb 3 O 6 clusters, which exhibit smaller cluster assembly sizes in STM, required larger diffusion barriers as well as different barriers for interparticle binding, which reflected differences in DFT calculated dimerization energies. Furthermore, the results demonstrate the effectiveness of combined DFT and kMC calculations for understanding how the stoichiometry affects the aggregation of small oxide clusters on a metal surface.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Dynamic Process Intensification via Data-Driven Dynamic Optimization: Concept and Application to Ternary Distillation

Process intensification is a design philosophy aimed at making chemical processes safer and more efficient. Its implementation often results in significant modifications to the design and structure of the process, with several conventional unit operations occurring in the same physical device. Traditionally, process intensification has focused on steady-state operation. In our previous works, we introduced dynamic process intensification (DPI) as a new intensification paradigm based on operational changes for conventional or intensified units. DPI is predicated on switching operation between two auxiliary steady states selected via a steady-state optimization calculation that ensures that the system generates, on average and over time, the same products as in nominal steady-state operation, but with favorable economics. This paper extends the DPI concept and introduces a novel dynamic optimization-based DPI strategy (Do-DPI) that involves imposing a true cyclic operation rather than switching between two discrete states. We discuss its implementation using surrogate dynamic models learned via system identification. Here, an extensive case study concerning a ternary distillation column separating a canonical hydrocarbon mixture shows that Do-DPI can reduce energy use by more than 4% relative to steady-state operation, with no significant deviations in product quality and production rate.

42 ENGINEERING↗

DOE OSTI2024

Distance Estimate Method for Asymptotic Giant Branch Stars Using Infrared Spectral Energy Distributions

We present a method to estimate distances to asymptotic giant branch (AGB) stars in the Galaxy, using spectral energy distributions (SEDs) in the near- and mid-infrared. By assuming that a given set of source properties (initial mass, stellar temperature, composition, and evolutionary stage) will provide a typical SED shape and brightness, sources are color matched to a distance-calibrated template and thereafter scaled to extract the distance. The method is tested by comparing the distances obtained to those estimated from very long baseline interferometry or Gaia parallax measurements, yielding a strong correlation in both cases. Additional templates are formed by constructing a source sample likely to be close to the Galactic center, and thus with a common, typical distance for calibration of the templates. These first results provide statistical distance estimates to a set of almost 15,000 Milky Way AGB stars belonging to the Bulge Asymmetries and Dynamical Evolution (BAaDE) survey, with typical distance errors of ±35%. With these statistical distances, a map of the intermediate-age population of stars traced by AGBs is formed, and a clear bar structure can be discerned, consistent with the previously reported inclination angle of 30° to the GC–Sun direction vector. These results motivate deeper studies of the AGB population to tease out the intermediate-age stellar distribution throughout the Galaxy, as well as determining statistical properties of the AGB population luminosity and mass-loss-rate distributions.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1983

Low energy electron magnetometer using a monoenergetic electron beam

A low energy electron beam magnetometer utilizes near-monoenergetic electrons thereby reducing errors due to electron energy spread and electron nonuniform angular distribution. In a first embodiment, atoms in an atomic beam of an inert gas are excited to a Rydberg state and then electrons of near zero energy are detached from the Rydberg atoms. The near zero energy electrons are then accelerated by an electric field V(acc) to form the electron beam. In a second embodiment, a filament emits electrons into an electrostatic analyzer which selects electrons at a predetermined energy level within a very narrow range. These selected electrons make up the electron beam that is subjected to the magnetic field being measured.

Singh, J. J.↗

NASA NTRS2003

Momentum and Heat Flux Measurements in the Exhaust of VASIMR using Helium Propellant

Interplanetary travel requires propulsion systems that can provide high specific impulse (Isp), while also having sufficient thrust to rapidly accelerate large payloads. One such propulsion system is the Variable Specific Impulse Magneto-plasma Rocket (VASIMR), which creates, heats, and ejects plasma to provide variable thrust and Isp, designed to optimally meet the mission requirements. The fraction of the total energy invested in creating the plasma, as compared to the plasma's total kinetic energy, is an important factor in determining the overall system efficiency. In VASIMR, this 'frozen flow loss' is appreciable when at high thrust, but negligible at high Isp. The loss applies to other electric thrusters as well. If some of this energy could be recovered through recombination processes, and reinjected as neutral kinetic energy, the efficiency of VASIMR, in its low Isp/high thrust mode may be improved. An experiment is being conducted to investigate the possibility of recovering some of the energy used to create the plasma by studying the flow characteristics of the charged and neutral particles in the exhaust of the thruster. This paper will cover the measurements of momentum flux and heat flux in the exhaust of the VASIMR test facility using helium as the propellant where the heat flux is comprised of both kinetic and plasma recombination energy. The flux measurements also assist in diagnosing and verifying the plasma conditions in the existing experiment.

Chavers, D. Gregory↗

DOE OSTI2021

Theoretical Prediction and Interpretation of 237 Np Mössbauer Isomer Shifts

Different theoretical approaches for the calculation of 237 Np Mössbauer isomer shifts are investigated. The traditional contact density route is compared to a previously proposed alternative approach that uses energy derivatives with respect to the nuclear radius. Both approaches yield similar results as long as suitable basis sets augmented with large exponents and relativistic methods are used. Density functional theory (DFT) calculations do not show a strong dependency of the 237 Np isomer shift on the chosen functional. Wavefunction calculations show that dynamic electron correlation can be important when covalent bonding influences the isomer shift. Effects from spin–orbit coupling are small. The isomer shifts of ionic solids and Np(III) organometallic complexes are largely governed by the oxidation state of Np. Isomer shifts of organometallic Np(IV) complexes are strongly affected by donation bonding. Furthermore, detailed analysis of the wavefunction results with different active spaces demonstrates that correlation among the outer core Np and occupied ligand frontier orbitals contributes significantly to isomer shifts of Np(IV) compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

The Remarkable I 2 O 3 Molecule: A New View from Theory

Atmospheric iodine chemistry has garnered increasing attention as a result of increased iodine emissions. A key subset of this chemistry involves iodine oxides (I 2 O 2–5 ), which serve as precursors to particle formation. Among these, I 2 O 3 is the simplest iodine oxide involved in particle formation, but it has remained undetected in the atmosphere. Previous theoretical studies have characterized this peculiar molecule, primarily using energies to refine geometries obtained at low levels of theory. Due to the reemerging interest in I 2 O 3 , this study presents geometries optimized at the CCSD(T)/aug-cc-pwCVTZ-PP level of theory─marking the first instance, to the best of our knowledge, where this system has been studied exclusively with CCSD(T). Harmonic vibrational frequencies were computed at the same level of theory. Final energetics were obtained using the very high level CCSDT(Q) method with basis sets up to quintuple-zeta cardinality (aug-cc-pwCV5Z-PP) and extrapolated to the CBS limit to yield CCSDT(Q)/CBS//CCSD(T)/aug-cc-pwCVTZ-PP energies. These energies include harmonic zero-point vibrational energy corrections and scalar relativistic energy corrections. Additionally, this study discovers new isomers along the I 2 O 3 potential energy surface, a novel contribution to the field. The performance of different computational methods and DFT functionals commonly used in atmospheric chemistry is also assessed relative to high-level theoretical methods.

basis sets↗

DOE OSTI2020

Direct measurement of the contribution of street lighting to satellite observations of nighttime light emissions from urban areas

Nighttime light emissions are increasing in most countries worldwide, but which types of lighting are responsible for the increase remains unknown. Also unknown is what fraction of outdoor light emissions and associated energy use are due to public light sources (i.e. streetlights) or various types of private light sources (e.g. advertising). Here we show that it is possible to measure the contribution of street lighting to nighttime satellite imagery using ‘smart city’ lighting infrastructure. The city of Tucson, USA, intentionally altered its streetlight output over 10 days, and we examined the change in emissions observed by satellite. We find that streetlights operated by the city are responsible for only 13% of the total radiance (in the 500–900 nm band) observed from Tucson from space after midnight (95% confidence interval 10–16%). If Tucson did not dim their streetlights after midnight, the contribution would be 18% (95% confidence interval 15–23%). When streetlights operated by other actors are included, the best estimates rise to 16% and 21%, respectively. Existing energy and lighting policy related to the sustainability of outdoor light use has mainly focused on street lighting. These results suggest an urgent need for consideration of other types of light sources in outdoor lighting policy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

LABQ3: Bayesian method for quantification of mineral compositions and nano-scale elemental mapping of 3D synchrotron XCT data

Quantitative analysis of mineral compositions is essential in understanding geochemical, mineralogical and environmental processes. Fine-resolution 3D imaging is widely done using synchrotron X-ray computed tomography (XCT), but existing analyses are limited to visualization and segmentation. This paper presents a new method, Linear Attenuation Bayesian Quantitative 3D-mapper (LABQ3), based on the linearity of X-ray attenuation with respect to elemental concentrations. To address the random variability in attenuation measurements, LABQ3 employs Bayesian decision theory to minimize classification error, using reference attenuation distributions from scans of pure mineral standards. To demonstrate LABQ3 and test its performance, we studied precipitated carbonate samples. XCT scans were done at multiple energies using the transmission X-ray microscope (TXM) at beamline 32-ID-C of the Advanced Photon Source at Argonne National Laboratory. The reconstructed 3D images have a voxel size of 20 nm. Analyses revealed rich nano-scale compositional heterogeneity within individual particles. A mixture of calcium and cadmium produced an overall stoichiometric composition of (Ca 0.78 ,Cd 0.22 )CO 3 , with some voxels containing nearly pure CdCO 3 . The addition of zinc led to an overall stoichiometric composition of 33% Ca, 28% Cd, 39% Zn, with a nearly pure CaCO 3 core and compositional zonation through the rim. These compositional gradients are related to temporal sequences of carbonate mineral formation where Cd precipitated at the beginning in (Ca,Cd)CO 3 , while Cd and Zn precipitated at the end in (Ca, Cd,Zn)CO 3 . Results differ from bulk analyses using Inductively Coupled Plasma-Mass Spectrometry (ICP-MS), showing that LABQ3 provides particle-specific insights. LABQ3 distinguishes itself by quantifying chemical compositions along a continuum, making it different from XCT analyses based on segmentation. LABQ3 allows simultaneous acquisition of morphology and chemical composition in 3D, facilitating the interpretation of chemical gradients of trace elements, quantification of solid solution compositions, inferences about temporal sequences of mineral precipitation, and addressing other concerns about solid-phase chemistry.

58 GEOSCIENCES↗

DOE OSTI2022

A Novel Steam Condenser with Loop Thermosyphons and Film-Forming Agents for Improved Heat Transfer Efficiency and Durability

In this DOE/NETL BAA program, Advanced Cooling Technologies, Inc. (ACT), with Suez Water Technologies & Solutions (Suez), developed film-forming amine coatings applied to condenser surfaces that incorporated loop thermosyphons to enhance steam surface condenser performance and efficiency for coal-fired power plants. The condensation phenomenon resulting from these coatings promotes efficient dropwise condensation without additional thermal resistance through the use of film-forming amines (FFA). The loop thermosyphon technology was being developed to supplant current pumped cooling water systems to reduce operations and maintenance issues, reduce energy use, and promote high thermal performance. Both of ACT’s advanced coating and loop thermosyphon technologies were developed for application to wet cooling and indirect dry cooling systems. Internal steam condensation and subsequent heat dissipation complete the thermodynamic power cycle used by power plant cooling systems. The successful 3-year project period delved into understanding the experimental performance gain using film-forming amines applied to flat and tubular condenser surfaces under realistic operating conditions. The performance gain was used to create a technoeconomic analysis to more clearly understand the market value for power plants using FFA coatings to achieve dropwise condensation on condenser surfaces. A tall (50 ft.) loop thermosyphon was designed, fabricated, and tested to optimize the performance characteristics by tuning the working fluid charge and determining the temperature drop across the loop at different heat loads. Commercialization opportunities were explored to transition the loop thermosyphon work into the building HVAC market.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2025

Akiachak Energy Efficiency Retrofit Project (Final Technical Report)

The Akiachak Native Community (ANC), a federally recognized Yup'ik Tribe, undertook this energy efficiency initiative to enhance energy performance in key community buildings, including the Tribal IRA Office, Laundry, Police Station, Clinic, and Daycare. Through energy audits and upgrades, the project focused on high-impact improvements like air sealing, LED lighting, and programmable thermostats, primarily in the Tribal Office due to funding constraints. The initiative aims to reduce energy waste, lower heating and electricity costs, and improve facility comfort and longevity. The project aims to generate long-term savings for further improvements by decreasing reliance on imported fuel oil. This initiative aligns with the Tribe's vision for responsible energy use, addressing the challenges of high fuel prices in a remote community, and serves as a model for similar efforts in Akiachak and other Alaska Native villages pursuing energy self-reliance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2015

Subsonic Ultra Green Aircraft Research: Truss Braced Wing Design Exploration - Phase II - Volume I

This report summarizes the Truss Braced Wing (TBW) work accomplished by the Boeing Subsonic Ultra Green Aircraft Research (SUGAR) team, consisting of Boeing Research and Technology, Boeing Commercial Airplanes, General Electric, Georgia Tech, Virginia Tech, NextGen Aeronautics, and Microcraft. A multi-disciplinary optimization (MDO) environment defined the geometry that was further refined for the updated SUGAR High TBW configuration. Airfoil shapes were tested in the NASA TCT facility, and an aeroelastic model was tested in the NASA TDT facility. Flutter suppression was successfully demonstrated using control laws derived from test system ID data and analysis models. Aeroelastic impacts for the TBW design are manageable and smaller than assumed in Phase I. Flutter analysis of TBW designs need to include pre-load and large displacement non-linear effects to obtain a reasonable match to test data. With the updated performance and sizing, fuel burn and energy use is reduced by 54% compared to the SUGAR Free current technology Baseline (Goal 60%). Use of the unducted fan version of the engine reduces fuel burn and energy by 56% compared to the Baseline. Technology development roadmaps were updated, and an airport compatibility analysis established feasibility of a folding wing aircraft at existing airports.

Bradley, Marty K.↗