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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Heterogeneous Distribution of Carbonaceous Material in Murchison Matrix: In Situ Observations Using Energy Filtered Transmission Electron Microscopy

Energy filtered TEM (Transmission Electron Microscopy) has been used to study the location of carbonaceous material in situ in Murchison matrix. Carbon occurs frequently as narrow rims around sulfide grains, but is rare in regions of matrix that are dominated by phyllosilicates. Additional information is contained in the original extended abstract.

Brearley, Adrian J.↗
DOE OSTI2022

Fast ignition inertial fusion energy using laser-driven ion beams

Ion fast ignition (IFI), or fusion fast ignition initiated by a laser-driven ion beam, is a promising path to high-gain inertial fusion energy (IFE). In IFI, cold, dense deuterium-tritium (DT) fuel is first assembled using lasers or pulsed power drivers. Then, a high-power ion beam is focused onto a small volume within the fuel (the hot spot), heating the fuel rapidly to conditions where fusion ignition takes place. Fusion burn in this hot spot propagates to the fuel surrounding the hot spot, leading to burnup of a significant fraction of this fuel and the possibility of high gain (G~100), as needed for inertial fusion energy. IFI uses separate drivers for the two basic elements, fuel compression and ignition, allowing maximum control and optimization of each. On the other hand, conventional laser fusion uses multiple beams of the same driver to compress the fuel and shock-heat its very center to ignite a burn wave. Despite impressive progress in conventional laser fusion, the precise spatial symmetry, temporal pulse shaping and timing required for high gain and IFE remain a serious unmet challenge.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Stochastic simulation of occupant-driven energy use in a bottom-up residential building stock model

The residential buildings sector is one of the largest electricity consumers worldwide and contributes disproportionally to peak electricity demand in many regions. Strongly driven by occupant activities, household energy consumption is stochastic and heterogeneous in nature. However, most residential energy models applied by industry use homogeneous, deterministic activity schedules, which work well for predictions of annual energy consumption, but can result in unrealistic hourly or sub-hourly electric load profiles, with exaggerated or muted peaks. The increasing proportion of variable renewable energy generators means that representing the heterogeneity and stochasticity of occupant behavior is now crucial for reliable planning at both bulk-power and distribution-system scales. This work presents a novel and open-source occupancy simulation approach that can simulate a diverse set of individual occupant and household event schedules for all major electricity, fuel, and hot water end uses. To accomplish this, we evaluated three alternative occupant activity simulation approaches before selecting a hybrid combining time-inhomogeneous Markov chains and probability-sampling of event durations and magnitudes. Further, we integrated the stochastic occupancy simulation with an open-source bottom-up physics-simulation building stock model and published a set of 550,000 diverse household end-use activity schedules representing a national housing stock. The simulator was verified against time-use survey data, and simulation results were validated against measured end-use electricity data for accuracy and reliability. While we use data for the United States, our application demonstrates how similar approaches could be applied using the time-use survey data collected in many countries around the world.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

In-flight positional and energy use data set of a DJI Matrice 100 quadcopter for small package delivery

Abstract We autonomously directed a small quadcopter package delivery Uncrewed Aerial Vehicle (UAV) or “drone” to take off, fly a specified route, and land for a total of 209 flights while varying a set of operational parameters. The vehicle was equipped with onboard sensors, including GPS, IMU, voltage and current sensors, and an ultrasonic anemometer, to collect high-resolution data on the inertial states, wind speed, and power consumption. Operational parameters, such as commanded ground speed, payload, and cruise altitude, were varied for each flight. This large data set has a total flight time of 10 hours and 45 minutes and was collected from April to October of 2019 covering a total distance of approximately 65 kilometers. The data collected were validated by comparing flights with similar operational parameters. We believe these data will be of great interest to the research and industrial communities, who can use the data to improve UAV designs, safety, and energy efficiency, as well as advance the physical understanding of in-flight operations for package delivery drones.

42 ENGINEERING↗
NASA NTRS1976

Calculations of molecular ionization energies using a self-consistent-charge Hartree-Fock-Slater method

A numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented. Molecular wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atomlike problems. Binding energies and wavefunctions for the molecules are generated using a discrete variational method for a given molecular potential. In the self-consistent-charge (SCC) approximation to the complete self-consistent-field (SCF) method, results of a Mulliken population analysis of the molecular eigenfunctions are used in each iteration to produce 'atomic' occupation numbers. The simplest SCC potential is then obtained from overlapping spherical atomlike charge distributions. Molecular ionization energies are calculated using the transition-state procedure; results are given for CO, H2O, H2S, AlCl, InCl, and the Ni5O surface complex. Agreement between experimental and theoretical ionization energies for the free-molecule valence levels is generally within 1 eV. The simple SCC procedure gives a reasonably good approximation to the molecular potential, as shown by comparison with experiment, and with complete SCF calculations for CO, H2O, and H2S.

Rosen, A.↗
DOE OSTI2022

Scenarios of Nuclear Energy Use in the United States for the 21st Century

The uncertainty in the cost of nuclear energy coinciding with efforts to address climate change are contributing to the uncertainty in the future role of nuclear energy in the US electricity system and the response to addressing global climate change. Sensitivity cases of alternative nuclear capital costs, ranging from 2600 to 6600 $\$ $/kW, were investigated with scenarios of alternative carbon mitigation policies, including 50, 100, and 150 $\$ $/tCO 2 carbon tax cases and economy-wide net-zero goals by 2050, 2060, and 2070 for the US. The resulting US nuclear power capacity ranged from 130 to 240 GW in 2050 and 90 to 450 GW in 2100 from nuclear cost sensitivity cases without carbon mitigation policies. Imposing policies to achieve the decarbonization of electricity and net-zero emission goals increased the range of nuclear power capacity from 190 to 460 GW in 2050 and 210 to 850 GW by 2100, where the range is from the low and high nuclear cost cases. Carbon penalties beyond 100 $\$ $/tCO 2 had a diminishing role on the expansion of nuclear power as the electricity sector becomes fully decarbonized. The 50 $\$ $/tCO 2 tax had the nuclear capital cost equivalency of 1000 $\$ $/kW reduction, while the 100 $\$ $/tCO 2 tax had the equivalency of 2000 $\$ $/kW reduction. Net-zero goals increased the contribution of nuclear power due to the increase in total electricity demand, but the delay in the timing of net-zero did not significantly affect the role of nuclear in the long-term. All net-zero goals were similar in their energy system impact with resulting carbon tax levels reaching 300 $\$ $/tCO 2 . Electricity is fully decarbonized in the net-zero scenarios and carbon pricing beyond 100 to 150 $\$ $/tCO 2 had little influence on the additional deployment of nuclear power. Regardless of the carbon policy, however, nuclear capital cost reductions had a clear and pronounced impact on the expanded deployment of nuclear power under all scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2000

Calculating Free Energies Using Scaled-Force Molecular Dynamics Algorithm

One common objective of molecular simulations in chemistry and biology is to calculate the free energy difference between different states of the system of interest. Examples of problems that have such an objective are calculations of receptor-ligand or protein-drug interactions, associations of molecules in response to hydrophobic, and electrostatic interactions or partition of molecules between immiscible liquids. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), 'native' state. Perhaps the best example of such a problem is folding of proteins or short RNA molecules. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to 'quasi non-ergodicity', whereby a part of phase space is inaccessible on timescales of the simulation. A host of strategies has been developed to improve efficiency of sampling the phase space. For example, some Monte Carlo techniques involve large steps which move the system between low-energy regions in phase space without the need for sampling the configurations corresponding to energy barriers (J-walking). Most strategies, however, rely on modifying probabilities of sampling low and high-energy regions in phase space such that transitions between states of interest are encouraged. Perhaps the simplest implementation of this strategy is to increase the temperature of the system. This approach was successfully used to identify denaturation pathways in several proteins, but it is clearly not applicable to protein folding. It is also not a successful method for determining free energy differences. Finally, the approach is likely to fail for systems with co-existing phases, such as water-membrane systems, because it may lead to spontaneous mixing. A similar difficulty may be encountered in any method relying on global modifications of phase space.

Darve, Eric↗
DOE OSTI2020

Background Data and Statistics on Low-Income Energy Use and Burden for the Weatherization Assistance Program: Update for Fiscal Year 2020

This report provides updated estimates of the energy consumptions, energy expenditures, and energy burdens of the population eligible to be served through the US Department of Energy (DOE) Weatherization Assistance Program (WAP) and by proxy, those clients actually served by the program. WAP continues to serve a population with an energy burden that is much greater than the rest of the county. The mean energy burden for the WAP-eligible population across the United States for FY 2020 is estimated to be 13.9% compared to 3.0% for households living above the 200% poverty threshold. The mean energy burden for households living below the 100% federal poverty line was estimated to be 30.9%. These energy burdens for the WAP-eligible population have remained steady at this high level over the last decade.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation Theory

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn–Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In particular, we employ a cubic-scaling formalism based on density functional perturbation theory that circumvents the calculation of the response function matrix, instead relying on the ability to compute its product with a vector through the solution of the associated Sternheimer linear systems. We develop a large-scale parallel implementation of this formalism using the subspace iteration method in conjunction with the spectral quadrature method while employing the Kronecker product-based method for the application of the Coulomb operator and the conjugate orthogonal conjugate gradient method for the solution of the linear systems. We demonstrate convergence with respect to key parameters and verify the method’s accuracy by comparing with plane-wave results. We show that the framework achieves good strong scaling to many thousands of processors, reducing the time to solution for a lithium hydride system with 128 electrons to around 150 s on 4608 processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Sparse expansions of multicomponent oxide configuration energy using coherency and redundancy

We report that compressed sensing has become a widely accepted paradigm to construct high dimensional cluster expansion models used for statistical mechanical studies of atomic configuration in complex multicomponent crystalline materials. However, strict sampling requirements necessary to obtain minimal coherence measurements for compressed sensing to guarantee accurate estimation of model parameters are difficult and in some cases impossible to satisfy due to the inability of physical systems to access certain configurations. Nevertheless, the dependence of energy on atomic configuration can still be adequately learned without these strict requirements by using compressed sensing by way of coherent measurements using redundant function sets known as frames. We develop a particular frame constructed from the union of all occupancy-based cluster expansion basis sets. We illustrate how using this highly redundant frame yields sparse expansions of the configuration energy of complex oxide materials that are competitive and often surpass the prediction accuracy and sparsity of models obtained from standard cluster expansions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Calculation Of The First Moment Of Energy Using D-T Reactivity Formalisms Under The Maxwell-Boltzmann Distribution--Part II

Nuclear fusion science is an example of a scientific field with a rich history of expert involvement and scientific publications, which together, form an expert-knowledge base. One example of a nuclear fusion formalism is the utilization of published reaction rates from a variety of authors. Investigators for Deuterium- Tritium (D-T) ion fusion can choose from using frequently cited methods: the Bosch and Hal reactivity, thermonuclear reaction rates from Caughlan and Fowler, and the reactivity evaluation from Miley, Towner & Ivich which forms the basis of the Naval Research Lab (NRL) formulary. There are other choices available. Each of the reactivity formulations considered here, are based upon the Maxwell-Boltzmann velocity distribution for D-T fusion ion reactants. Numerical methods for computer codes simulating hot, energetic plasmas, include tabulations of the reactivity, and the first moment of energy. This report continues the step toward building understanding of nuclear fusion reactivity formalisms. It is part of a series of reports with the same goal, [5-10] and is the continuation of the Part I paper for defining the mathematical relationship of the first moment of D-T fusion ion kinetic energy, <$E$>, with the fusion cross-section, fusion reactivity and its derivative with ion-temperature. In Part I, three variants of the first moment <$E$> were analytically developed and explored: 1) constant cross-section, 2) a normalized first moment, and 3) a particular function of the first moment from Brysk. In Part II, attention is given to the definition of <$K$>, originally described as a ratio of moments from Brysk, and its relationship to the first moment definitions from Part I. One measure of the progress made in these documents is the identification that Brysk’s ratio of the second moment to the first moment ratio, <$K$>, does not correspond to his provided solution of the first moment of energy. Another measure of (our) progress from this work is the comparison of first moment variants. That comparison includes confirming the importance of cross sections defined in terms of energy. The analytical relationships we have developed among important physics quantities are useful tools in validation and verification (V&V). For example, we can calculate the kinetic energy as a mean or as a first moment, or as a function of the first moment. These analytically-determined values can be compared directly with numerically-determined values, supplied to the authors, representing <$E$>.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Energy use of piperazine with the advanced stripper from pilot plant testing

Here, piperazine with the Advanced Stripper (PZAS™) was tested at the National Carbon Capture Center (NCCC) at coal and NGCC conditions. Energy performance was measured with accounting for heat loss. The net heat duty was found to be identical at 2.45 GJ/tonne for both 4 and 12% CO 2 at 90% CO 2 removal. The average measured heat loss was 0.38 GJ/tonne and represented 30% of the gross heat rate. For PZAS, the warm rich piping before the control valve is the largest in surface area. Heat loss at this location increased heat duty by 80% of the heat loss value. Therefore, the total heat duty was decreased by 80% of the heat loss. The Independence™ model was validated using 112 steady-state pilot plant runs and predicted average net heat duty with an error of 9% and lean loading with an error of 10%. The model was used to simulate process impacts of heat loss for the PZAS and simple stripper configurations. For both strippers, heat loss was found to impact heat duty at locations other than just the steam heater. While heat loss in the steam heater was the most important for PZAS, heat loss in the column was the most important for the simple stripper due to a large top-side pinch and CO 2 reabsorption at the same location. CO 2 reabsorption in PZAS occurred only at high heat loss values (~0.14 GJ/hr), compared to low heat loss values (~ 0.03 GJ/hr) in the PZ-simple stripper. Excessive packing in the PZ-simple stripper caused a large top-side pinch at 0.23 mol/mol lean loading, making the column very sensitive to heat loss. Heat loss in the PZ-simple stripper increased heat duty by 120–150% at typical heat loss values and lean loading of 0.23 mol/mol. Heat loss in the MEA-simple stripper only increased heat duty by 1–13% in a typical lean loading range of 0.1–0.2 mol/mol. A large bottom side pinch at low lean loading for 7 m MEA made the effect of heat loss less pronounced.

42 ENGINEERING↗
DOE OSTI2020

Valence-to-core X-ray emission spectroscopy of titanium compounds using energy dispersive detectors

X-ray emission spectroscopy (XES) of transition metal compounds is a powerful tool for investigating the spin and oxidation state of the metal centers. Valence-to-core (vtc) XES is of special interest, as it contains information on the ligand nature, hybridization, and protonation. To date, most vtc-XES studies have been performed with high-brightness sources, such as synchrotrons, due to the weak fluorescence lines from vtc transitions. Here, we present a systematic study of the vtc-XES for different titanium compounds in a laboratory setting using an X-ray tube source and energy dispersive microcalorimeter sensors. With a full-width at half-maximum energy resolution of approximately 4 eV at the Ti Kβ lines, we measure the XES features of different titanium compounds and compare our results for the vtc line shapes and energies to previously published and newly acquired synchrotron data as well as to new theoretical calculations. Finally, we report simulations of the feasibility of performing time-resolved vtc-XES studies with a laser-based plasma source in a laboratory setting. Our results show that microcalorimeter sensors can already perform high-quality measurements of vtc-XES features in a laboratory setting under static conditions and that dynamic measurements will be possible in the future after reasonable technological developments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterization of a mock up nuclear waste package using energy resolved MeV neutron analysis

Reliable radiographic methods for characterizing nuclear waste packages non-destructively (without the need to open containers) have the potential to significantly contribute to safe handling and future disposal options, particularly for legacy waste of unknown content. Due to required shielding of waste containers and the need to characterize materials consisting of light elements, X-ray methods are not suitable. Here, energy-resolved MeV neutron radiography is demonstrated as a first-of-its-kind application for non-destructive and remote examination of mock up nuclear waste packages from a safe position using time-of-flight techniques enabled by a novel event-mode imaging detector system. Energy-resolved neutron transmission spectra were measured spatially, permitting the detection of analogue materials to actual nuclear waste such as water, melamine, and ion exchange resin within a 2.54 cm wall thickness steel pipe. The results demonstrate the capability to locate the materials through this wall thickness by radiography and tomographic reconstruction, revealing detailed 3D distributions and structural anomalies. The method effectively detects residual water in ion exchange resin, highlighting its sensitivity to moisture content, a crucial parameter for nuclear waste characterization. Monte Carlo simulations are in agreement with the experimental findings, providing a pathway to simulate waste forms more difficult to tackle experimentally. This work paves the way to apply sub-nanosecond intense MeV neutron sources, such as laser-driven neutron sources under development, to nuclear waste characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comparison of effectiveness and energy use of airborne pathogen mitigation measures to meet clean air targets in a prototypical office building

Organizations such as ASHRAE and the Centers for Disease Control and Prevention (CDC) have proposed guidelines for controlling infectious aerosols in buildings, which can be met through measures such as modified operation of the heating, ventilation, and air-conditioning (HVAC) system or incorporating air-cleaning technologies. However, more research is needed to understand the trade-offs between health, energy, and comfort aspects when designing measures for these guidelines. To address this gap, this paper presents an analysis using new models for air-cleaning technologies, including in-duct and in-room germicidal ultraviolet (GUV) systems and portable air cleaners (PACs). These models are incorporated into an existing prototypical office building model and six measures are designed to meet ASHRAE Standard 241 and CDC clean air targets: MERV 13 HVAC filtration, maximum outdoor air supplied to the building, PACs, and in-duct, upper-room, and whole-room GUV. The measures are simulated for an office building in a cool and humid climate compared against a baseline simulation using MERV 8 filtration. The results show that all measures, except for the maximum outdoor air case, can meet the ASHRAE 241 standard without significant impacts on energy or comfort. The HVAC system measures were not able to meet the CDC target with the default system sizing and lead to significant energy increases, while the in-room measures were able to meet the CDC target with small impacts on energy consumption. Finally, this paper consolidates the simulation findings and provides practical guidance for building operators to meet clean air targets while limiting energy and comfort impacts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Optical characterization of the on-target OMEGA focal spot at high energy using the full-beam in-tank diagnostic

The full-beam in-tank (FBIT) diagnostic has been deployed to directly measure the target-plane beam fluence profile, when operated at high energy, of the OMEGA Laser System at the University of Rochester’s Laboratory for Laser Energetics. This article presents the results of early measurements taken with this diagnostic and discusses an improvement that has overcome performance limitations discovered during the initial testing. The diagnostic gives new insight into the ability of the OMEGA Laser System to provide uniform fluence profiles that are consistent across all 60 beams in the laser. Overall, the ultimate goal of the FBIT diagnostic is to allow accurate assessment of the fluence uniformity on a spherical target in 60-beam implosion experiments

47 OTHER INSTRUMENTATION↗