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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Calculation of electron energy flux distributions in noble gases.

The electron flux spectrum has been calculated over the entire range from delta-ray energies to ionization-potential energies. Estimates based on the Born approximation indicate that electron-gas atom elastic losses can be neglected. Gryzinski's (1965) classical cross sections show that electron-thermalized electron interactions can be ignored. Under those conditions the energy degradation is primarily due to the excitation and ionization of background gas.

Lo, R.↗
NASA NTRS1977

Energy requirement for the production of silicon solar arrays

Photovoltaics is subject of an extensive technology assessment in terms of its net energy potential as an alternate energy source. Reduction of quartzite pebbles, refinement, crystal growth, cell processing and panel building are evaluated for energy expenditure compared to direct, indirect, and overhead energies.

Lindmayer, J.↗
NASA NTRS1980

Form-drag instability, multiple equilibria and propagating planetary waves in baroclinic, orographically forced, planetary wave systems

A two-layer baroclinic model is used to study the planetary-scale motions of a thermally driven atmosphere in the presence of topography, and in doing so to extend previous results obtained with a barotropic model. Highly truncated spectral equations are used to obtain multiple wavelike stationary equilibrium states, to examine the instabilities that produce them, and to study the instabilities that feed on them and give rise to traveling planetary waves. Although the equilibria cannot exist without orography, their energy comes from the potential energy of the mean flow, not from kinetic energy transfer via the mountain torque. Low-index (blocking) equilibria as well as high-index equilibria require a large thermal driving and are associated with both orographic and baroclinic instability of the Hadley circulation. It is suggested that blocking in nature is a quasi-stable circulation arising from orographic instability with strong thermal driving; and that observed low-frequency, propagating planetary waves are due to instabilities of the quasi-stationary, topographically forced equilibria.

Charney, J. G.↗
NASA NTRS1992

Inertial mode oscillations of Jupiter

The properties of the inertial modes of Jupiter are investigated using several different models for that planet. The inertial modes are rotationally induced oscillation modes for which the kinetic energy generally dominates the potential energy of oscillation. The frequency spectrum of the inertial modes mainly depends on the density stratification of Jupiter and sensitively reflects the existence or nonexistence of density discontinuities in the interior. A particularly interesting consequence of the calculations is that observations of the inertial oscillations of Jupiter may enable us to determine whether or not the dense hydrogen in the envelope of this planet undergoes the plasma phase transition (PPT). This may provide an astrophysical test of current theories of the thermodynamic properties of dense hydrogen. It is also found that the discontinuity modes associated with the PPT have observable amplitdues at the surface. These modes may provide an independent test of the interior structure of Jupiter.

Lee, Umin↗
NASA NTRS1994

Impact on comet Shoemaker-Levy 9 on Jupiter

Three-dimensional numerical simulations of the impact of Comet Shoemaker - Levy 9 on Jupiter and the resulting vapor plume expansion were conducted using the Smoothed Particle Hydrodynamics (SPH) method. An icy body with a diameter of 2 km can penetrate to an altitude of -350 km (0 km = 1 bar) and most of the incident kinetic energy is transferred to the atmosphere between -100 km to -250 km. This energy is converted to potential energy of the resulting gas plume. The unconfined plume expands vertically and has a peak radiative power approximately equal to the total radiation from Jupiter's disk. The plume rises a few tens of atmospheric scale heights in approximately 10(exp 2) seconds. The rising plume reaches the altitude of approximately 3000 km, but no atmospheric gas is accelerated to the escape velocity (approximately 60 km/s).

Ahrens, Thomas J.↗
NASA NTRS1994

Impact of comet Shoemaker-Levy 9 on Jupiter

We have employed three-dimensional numerical simulations of the impact of Comet Shoemaker-Levy 9 (SL9) on Jupiter and the resulting vapor plume expansion using the smoothed particle hydrodynamics (SPH) method. An icy body with a diameter of 2 km can penetrate to an altitude of -350 km (0 km = 1 bar) and most of the incident kinetic energy is transferred to the atmosphere between -100 to -250 km. This energy is converted to potential energy of the resulting gas plume. The unconfined plume expands vertically and has a peak radiative power approximately equal to the total radiation from Jupiter's disc. The plume rises a few tens of atmospheric scale heights in approximately 10(exp 2) seconds. The rising plume reaches the altitude of approximately 3000 km; however, no atmospheric gas is accelerated to the escape velocity (approximately 60 km/s).

Takata, Toshiko↗
NASA NTRS2005

Search for Effects of an Electrostatic Potential on Clocks in the Frame of Reference of a Charged Particle

Results of experiments to confirm a theory that links classical electromagnetism with the geometry of spacetime are described. The theory, based on the introduction of a Torsion tensor into Einstein s equations and following the approach of Schroedinger, predicts effects on clocks attached to charged particles, subject to intense electric fields, analogous to the effects on clocks in a gravitational field. We show that in order to interpret this theory, one must re-interpret all clock changes, both gravitational and electromagnetic, as arising from changes in potential energy and not merely potential. The clock is provided naturally by proton spins in hydrogen atoms subject to Nuclear Magnetic Resonance trials. No frequency change of clocks was observed to a resolution of 6310(exp -9). A new "Clock Principle" was postulated to explain the null result. There are two possible implications of the experiments: (a) The Clock Principle is invalid and, in fact, no metric theory incorporating electromagnetism is possible; (b) The Clock Principle is valid and it follows that a negative rest mass cannot exist.

Ringermacher, Harry I.↗
NASA NTRS2007

Dynamics of Nanoscale Grain-Boundary Decohesion in Aluminum by Molecular-Dynamics Simulation

The dynamics and energetics of intergranular crack growth along a flat grain boundary in aluminum is studied by a molecular-dynamics simulation model for crack propagation under steady-state conditions. Using the ability of the molecular-dynamics simulation to identify atoms involved in different atomistic mechanisms, it was possible to identify the energy contribution of different processes taking place during crack growth. The energy contributions were divided as: elastic energy, defined as the potential energy of the atoms in fcc crystallographic state; and plastically stored energy, the energy of stacking faults and twin boundaries; grain-boundary and surface energy. In addition, monitoring the amount of heat exchange with the molecular-dynamics thermostat gives the energy dissipated as heat in the system. The energetic analysis indicates that the majority of energy in a fast growing crack is dissipated as heat. This dissipation increases linearly at low speed, and faster than linear at speeds approaching 1/3 the Rayleigh wave speed when the crack tip becomes dynamically unstable producing periodic dislocation bursts until the crack is blunted.

Yamakov, V.↗
DOE OSTI2022

A Comparison of Preconstruction and Operational Wake Loss Estimates for Land-Based Wind Plants

Recent studies suggest that biases between wind plant pre-construction energy yield estimates and actual energy production are decreasing over time. However, variability in energy yield prediction accuracy across different projects and wind energy consultants remains high. Wake effects are one of the largest categories comprising the pre-construction energy yield assessment process. To assess the accuracy of wake loss predictions, we compare pre-construction wake loss estimates provided by 8 consultants to the estimated operational wake losses for 10 North American wind plants, as part of the Wind Plant Performance Prediction (WP3) Benchmark project. We estimate operational wake losses using supervisory control and data acquisition (SCADA) data by comparing total wind plant energy production to the potential energy production based on the power produced by freestream wind turbines. In the presentation, we will discuss the overall wake loss prediction bias as well as the project-to-project variability in the prediction accuracy. Further, we will highlight challenges encountered when estimating operational wake losses, including the impact of complex terrain and the presence of neighboring wind plants.

benchmark↗
DOE OSTI2022

U.S. Industrial and Commercial Motor System Market Assessment Report. Volume 3: Energy Saving Opportunity

This report seeks to inform the potential for motor systems to support decarbonization by estimating their potential energy, electricity cost, and CO 2 emissions reduction potential from adoption of proven energy efficiency actions and advanced technologies. This is the third and final report in a series of reports disseminating the findings of the U.S. Department of Energy’s (DOE’s) Motor System Market Assessment (MSMA). The MSMA and this report focus on polyphase motor systems greater than or equal to 1 horsepower (hp) in the industrial and commercial sectors. In the U.S. Industrial and Commercial Motor System Market Assessment Report Volume 1: Characteristics of the Installed Base (Volume 1 report), it was determined that these motor systems consume more than 1,000 terawatt-hours (TWh) annually. This equates to 29% of the U.S. electric grid load and results in 765 million metric tons (MMT) of CO 2 emissions and $166 billion in electricity costs. This report finds that substantial reductions to these energy, cost, and emissions impacts are possible, with three areas of significant opportunity being (1) improved load matching, (2) replacing older inefficient motors with more efficient motors, and (3) improving the condition of fluid (e.g., air, water, compressed air) distribution systems. A summary of the savings potential from these three opportunities placed within the context of the overall consumption for motor systems is illustrated in Figure ES 1 (industrial) and Figure ES 2 (commercial).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Analytic Gradients for Equation-of-Motion Coupled Cluster with Single, Double, and Perturbative Triple Excitations

Understanding the process of molecular photoexcitation is crucial in various fields, including drug development, materials science, photovoltaics, and more. The electronic vertical excitation energy is a critical property, for example in determining the singlet-triplet gap of chromophores. However, a full understanding of excited-state processes requires additional explorations of the excited-state potential energy surface and electronic properties, which is greatly aided by the availability of analytic energy gradients. Owing to its robust high accuracy over a wide range of chemical problems, equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) is a powerful method for predicting excited state properties, and the implementation of analytic gradients of many EOM-CCSD (excitation energies, ionization potentials, electron attachment energies, etc.) along with numerous successful applications high- lights the flexibility of the method. In specific cases where a higher level of accuracy is needed or in more complex electronic structures, the inclusion of triple excitations becomes essential, for example, in the EOM-CCSD* approach of Saeh and Stanton. In this work, we derive and implement for the first time the analytic gradients of EOMEE-CCSD*, which also provides a template for analytic gradients of related ex- cited state methods with perturbative triple excitations. Here, the capabilities of analytic EOMEE-CCSD* gradients are illustrated by several representative examples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Minimum Energy Pathways for Chemical Reactions

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives useful results for a number of chemically important systems. The talk will focus on a number of applications to reactions leading to NOx and soot formation in hydrocarbon combustion.

Walch, S. P.↗
DOE OSTI2025

Viability Assessment of Wind and Solar Renewable Energy Generation in Support of Nationwide Vehicle Electrification

In 2022, the U.S. transportation sector was the largest source of greenhouse gas emissions in the country, with the combination of passenger and commercial vehicles contributing 80% of these emissions. As adoption of passenger electric vehicles continues to climb, sights are being set on the electrification of heavy-duty commercial vehicle (HDCV) fleets. The sustainability of these shifts relies in part on the addition of significant renewable energy generation resources to both bolster the grid in the face of increased demand, and to prevent a shift in the source of greenhouse gas (GHG) emissions to the grid, as opposed to a true net reduction. Additionally, it is necessary to quantify the variations in economic viability across the country for these technologies as it pertains to their productive capabilities. Doing so will encourage investment and ensure that the transition to electrified HDCV fleets is commercially viable, as well as sustainable. In an effort to meet these goals, multiple computational frameworks are used to locate suitable land for renewable infrastructure development, and to quantify spatiotemporal variations in the potential energy generation and financial viability of development sites across the Unites States. First, the Oak Ridge Siting Analysis for power Generation Expansion tool (OR-SAGE) is used to assess the suitability of land for potential wind and solar energy development across the contiguous U.S. From there, resource data from the National Solar Radiation Database (NSRDB) and the Wind Integration National Dataset (WIND) are used in concert with the National Renewable Energy Laboratory (NREL) Renewable Energy Potential (ReV) model to calculate the variation in potential generation capacity for each resource. Additionally, the capital and operational expenditures are calculated for an example configuration of each renewable technology. These measures are then used to calculate the levelized cost of energy (LCOE) of potential sites. All of these results are then processed and analyzed to determine where in the U.S. solar and wind energy are most viable. This viability is based on available generation potential, consistency and stability of energy generation over time, and economic viability with respect to LCOE.

Miller, Brandon [ORNL] (ORCID:0009000300169201)↗
DOE OSTI2023

Development of a Systematic and Extensible Force Field for Peptoids (STEPs)

Peptoids (N-substituted glycines) are a class of biomimetic polymers that have attracted significant attention due to their accessible synthesis and enzymatic and thermal stability relative to their naturally occurring counterparts (polypeptides). While these polymers provide the promise of more robust functional materials via hierarchical approaches, they present a new challenge for computational structure prediction for material design. The reliability of calculations hinges on the accuracy of interactions represented in the force field used to model peptoids. For proteins, structure prediction based on sequence and de novo design has made dramatic progress in recent years; however, these models are not readily transferable for peptoids. Current efforts to develop and implement peptoid-specific force fields are spread out, leading to replicated efforts and a fragmented collection of parameterized sidechains. Here, we developed a peptoid-specific force field containing 70 different side chains, using GAFF2 as starting point. The new model is validated based on the generation of Ramachandran-like plots from DFT optimization compared against force field reproduced potential energy and free energy surfaces as well as the reproduction of equilibrium cis/trans values for some residues experimentally known to form helical structures. In conclusion, equilibrium cis/trans distributions (Kct) are estimated for all parameterized residues to identify which residues have an intrinsic propensity for cis or trans states in the monomeric state.

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

Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy

It is well known that ultraviolet photoexcitation of iron pentacarbonyl results in rapid loss of carbonyl ligands leading to the formation of coordinatively unsaturated iron carbonyl compounds. Here we employ ultrafast mid-infrared transient absorption spectroscopy to probe the photodissociation dynamics of gas-phase iron pentacarbonyl following ultraviolet excitation at 265 and 199 nm. After photoexcitation at 265 nm, our results show evidence for sequential dissociation of iron pentacarbonyl to form iron tricarbonyl via a short-lived iron tetracarbonyl intermediate. Photodissociation at 199 nm results in the prompt production of Fe(CO) 3 within 0.25 ps via several energetically accessible pathways. An additional 15 ps time constant extracted from the data is tentatively assigned to intersystem crossing to the triplet manifold of iron tricarbonyl or iron dicarbonyl. Mechanisms for formation of iron tetracarbonyl, iron tricarbonyl, and iron dicarbonyl are proposed and theoretically validated with one-dimensional cuts through the potential energy surface as well as bond dissociation energies. Ground state calculations are computed at the CCSD(T) level of theory and excited states are computed with EOM-EE-CCSD(dT).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Characteristics of U.S. Energy Production using Nuclear Fission

When considering potential energy production technologies for the future, a critical consideration centers on the question of “how green” the technology is. Here, the word “green” implies that the technology has a zero or minimal impact on the public and environment while still providing benefits by way of electricity, heat, and other products such as hydrogen and water. And, these potential impacts must be considered over the lifecycle of the technology deployment, from design, construction, operation, and disposition. Ideally, a green energy technology would be net-zero (i.e., having no to almost negligible contribution) on five key elements: 1. Greenhouse gas emissions, including carbon dioxide (CO 2 ), methane, nitrous oxide, and fluorinated gases such as ozone-depleting gases 2. Water consumption 3. Material resource consumption 4. Disposition of wastes 5. Public, flora, and fauna safety including deaths, health, and environmental impacts. Society would benefit from net-zero impacts of the five elements above while having low-cost energy. As society starts to replace fossil fuels in the energy mix, we need to consider the possible impacts of adopted technologies. We need a production approach that provides large quantities of energy while being safe, reliable, economical, and sustainable. In this report, we describe a variety of characteristics related to the five elements above to provide a fact-supported, science-based depiction of nuclear fission as an energy providing technology. By better understanding how fission power is nearly net-zero in the five elements above, we can position our thinking to align with the overarching goal to provide society with a low-impact energy source.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗