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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Grain dynamics in zero gravity

The dynamics of granular materials has proved difficult to model, primarily because of the complications arising from inelastic losses, friction, packing, and the effect of many grains being in contact simultaneously. The kinetic model of granular systems is similar to the kinetic theory of gases, except that collisional energy losses are always present in the former and must be treated explicity. Few granular materials on Earth are describable by this limiting model, since gravity tends to collapse the grains into a high density state where Coulombic friction effects are dominant. The planned Space Station offers an unusual opportunity to test the kinetic grain model and to explore its predictions. Without gravity, the regime of low interparticle velocities (where an elastic description of the collision is still valid) can be investigated. This will allow for direct interpretation by dynamical computer simulations as well as by the kinetic theory. The dynamics of spherical grains inside a clear box would be examined. Results would be compared with the predictions of the kinetic theory and computer simulations.

Werner, B. T.↗
DOE OSTI2020

Demand Response in Bangalore: Implications for Electricity System Operations

Recent Greening the Grid studies for India highlight the benefits of flexible resources for integrating variable renewable energy onto India’s electricity system. India’s ambitious renewable energy targets, which are particularly focused on renewable resource states such as Karnataka, will face fewer challenges when combined with new planning and operational strategies and technologies. This report explores one such strategy - demand response - by which the system operator shifts load throughout a day to minimize system wide production costs. To explore this strategy, we added demand response resources to Karnataka’s electricity system in a production cost model of India, using load shifting potential analyzed by Lawrence Berkeley National Labs. We then investigated the impacts of increasing demand response capacity under several renewable resource scenarios. Our results show the addition of demand response enables fuel shifting from high-marginal-cost and emissions-intensive subcritical coal and diesel generation to zero-marginal-cost and emissions-free renewable generation. Accordingly, the value that demand response provides to the system increases as the renewable penetration increases. In addition to reducing production costs and emissions, demand response reduces the time that thermal generators spend at their minimum output levels, which typically represents a less efficient and costlier operational state. Agricultural load shifting provides greater value to the system than residential, commercial, or industrial loads. Agricultural demand response is more flexible than other sectors because it is not exposed to subdaily operational constraints and it can operate for more hours per day without impacting customer satisfaction. Further, the first increment of demand response that is added to a system provides the greatest value; further additions provide additional benefits but have a decreasing impact. The insights we discuss could be leveraged by system planners and operators in other jurisdictions, particularly those facing significant renewable energy penetrations, to develop their own demand response programs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

A windowed mean trajectory approximation for condensed phase dynamics

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna–Matthews–Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. In conclusion, the new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

One-way nesting for a primitive equation ocean model

Prognostic numerical models for atmospheric and oceanic circulations require initial fields, boundary conditions, and forcing functions in addition to a consistent set of partial differential equations, including a state relation and equations expressing conservation of mass, momentum, and energy. Depending on the horizontal domain to be modeled, the horizontal boundary conditions are either physically obvious or extremely difficult to specify consistently. If the entire atmosphere is modeled, periodic horizontal boundary conditions are appropriate. On the other hand, the physical horizontal boundaries on the entire ocean are solid walls. Obviously, the normal velocity at a solid wall is zero while the specification of the tangential velocity depends on the mathematical treatment of the horizontal viscous terms. Limitations imposed by computer capacity and cost, as well as research interests, have led to the use of limited area models to study flows in the atmosphere and ocean. The limited area models do not have physical horizontal boundaries, merely numerical ones. Correctly determining these open boundary conditions for limited-area numerical models has both intrigued and frustrated numerical modelers for decades. One common approach is to use the closed or solid wall boundary conditions for a limited-area model. The argument given for this approach is that the boundary conditions affect flow near the walls but that none of these effects are propagated into the interior. Therefore, one chooses a big enough domain that the central region of interest is not corrupted by the boundary flow. Research in progress to model the North Atlantic circulation vividly illustrates the pitfalls of this approach. Two model runs are compared: (1) the southern boundary at 20S between latitudes 0 and 40W is artificially closed; and (2) the same boundary is specified as open with an inward transport of 15 Sv (determined from a global model with the same physics) uniformly spread across the boundary. A comparison of both runs is presented.

Blake, D. W.↗
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 NTRS1972

Collision matrix elements near a pseudocrossing of potential energy curves.

The cross sections of certain inelastic atomic collision processes can be determined from the matrix elements of the collision operator, d/dR, where R is the separation of the colliding atoms. At one extreme, the matrix element may pass through zero near a pseudocrossing of potential energy curves, while at the other extreme, it may pass through a maximum. The resulting cross sections are entirely different in magnitude and in energy dependence. An attempt is made to predict the qualitative behavior of the collision matrix elements with variations in R from an analysis of the Born-Oppenheimer adiabatic Hamiltonian. The modifications caused by a second pseudocrossing with a third adiabatic state are studied.

Oppenheimer, M.↗
NASA NTRS1979

Electron impact on atmospheric gases. III - Spatial yield spectra for N2

Spatial yield spectra have been calculated for electron energy degradation into molecular nitrogen gas using a Monte Carlo method for 0.1- to 5.0-keV incident electrons. The spectra contain the spatial yield information about the electron degradation process and can be employed to calculate a 'yield' for any inelastic state at any position in the medium. Because of the spectrum's useful nature and simple characteristics, the three-variable spatial yield spectrum U(E, z, E sub zero) is analytically represented as well. This analytic form can then be easily applied to atmospheric and laboratory problems dealing with energetic electron degradation.

Jackman, C. H.↗
NASA NTRS1986

Optical and electrical characterizations of laser-chemical-vapor-deposited aluminum oxynitride films

Composition-dependent optical and electrical properties of L-CVD (Al2O3)1-c-(AlN)c composite films are examined. The optical properties exhibit a continuous change from Al2O3 to AlN with increasing value of the composition parameter c from zero to one. There is a critical concentration value of about 0.3 below and above which Al2O3- and AlN-like optical properties are observed. The impurity absorption regions are 5.1-6.7 eV for Al2O32 and 4.6-6.0 for AlN, while the energy gap is about 6.7 eV for Al2O3 and 6.0 eV for AlN. The electrical properties of Al-insulator n-Si MIS structures display externally programmable states when bulk-controlled electron emission occurs from the traps. In the high-field region a persistent polarization field is established within the insulator. C-V characteristics of the samples are more sensitive to the concentration factor c than the I-V characteristics. A large clockwise hysteresis is observed for AlN, but a smaller counterclockwise one is observed for Al2O3.

Demiryont, H.↗
NASA NTRS2000

A Coordinated RXTE/ASCA Study of Absorption Dips in Circinus X-1 at Phase Zero

This proposal was for an Rossi X Ray Timing Explorer (RXTE) study of Circinus X-1 with the ASCA satellite for the purpose of studying the iron emission feature during intensity dips. These dips had been discovered previously with ASCA and they appeared to vary in equivalent width and in the energy of the iron K edge. Proper analyses requires good continuum measurements which Rossi X Ray Timing Explorer/Proportional Counter Array (RXTE/PCA) could provide. Also, the PCA data would show any temporal evolution correlated with spectral evolution. RXTE provided 90 ks of data during March 3-5, 1998 which included phase zero which is where the dips usually take place. The ASCA observations were taken by Dr. Neil Brandt of Penn State University. Unfortunately, the source intensity showed far less dipping activity than is typical near phase zero. The light curve exhibited only very narrow sporadic dips rather than some long deep dips necessary for sufficient statistics in the ASCA and RXTE instruments for spectral studies. This prevented us from carrying out the primary goal of the proposal.

Bradt, Hale↗
DOE OSTI2023

Model Energy Codes End-Use Opportunity Analysis

Model energy codes (ASHRAE Standard 90.1 and IECC) has significantly impacted programs and policies aimed at improving energy efficiency both in United States and across the globe. Standard 90.1, first published in 1975 (originally referred to as Standard 90) provides minimum energy efficiency guidelines for designing, constructing, operating, and maintaining new construction and renovated buildings. It is updated continuously, with new editions published every 3 years. Pacific Northwest National Laboratory (PNNL) conducts simulated energy and cost savings analysis of model energy codes to determine their expected impact and to track progress toward net-zero goals and efficiency targets. Additionally, the simulation outputs are examined to assess how energy is used across primary systems within prominent U.S. commercial building types to understand how energy is used in each building type at the end-use level and to identify areas for improvements in future code cycles. This end-use opportunity analysis of model energy codes provides ASHRAE technical committees and other interested parties a better understanding of how the Standard affects various building systems and end uses, specifically, those in the Standard that most prominently influence energy efficiency. Additionally, findings provide industry stakeholders guidance in identifying building types and end-uses with the most potential for energy efficiency improvements through energy codes and those that may require beyond code measures to meet energy use reduction targets. This paper summarizes features and functionalities of a webtool created by PNNL to explore and visualize the End-Use opportunity analysis.

ASHRAE 90.1, Energy Codes, Tableau↗
DOE OSTI2025

Absence of Long-Range Magnetic Ordering in a Trirutile High-Entropy Oxide (Mn 0.2 Fe 0.2 Co 0.2 Ni 0.2 Cu 0.2 )Ta 1.92 O 6–δ

Functionalities of solid-state materials are usually considered to be dependent on their crystal structures. The limited structural types observed in the emerging high-entropy oxides put constraints on the exploration of their physical properties and potential applications. Herein, we synthesized the first high-entropy oxide in a trirutile structure, (Mn 0.2 Fe 0.2 Co 0.2 Ni 0.2 Cu 0.2 )Ta 1.92 O 6–δ , and investigated its magnetism. The phase purity and high-entropy nature were confirmed by powder Xray diffraction and energy-dispersive spectroscopy, respectively. X-ray photoelectron spectroscopy indicated divalent Mn, Co, Ni, and Cu along with trivalent Fe. Magnetic property measurements showed antiferromagnetic coupling and potential short-range magnetic ordering below ~4 K. The temperature-dependent heat capacity data measured under zero and high magnetic fields confirmed the lack of long-range magnetic ordering and a possible low-temperature phonon excitation. The discovery of the first trirutile high-entropy oxide opens a new pathway for studying the relationship between the highly disordered atomic arrangement and magnetic interaction. Furthermore, it provides a new direction for exploring the functionalities of highentropy oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Thermodynamics of grain-boundary phases

The past decade has seen a significant increase in research efforts aimed at understanding the thermodynamics of low-dimensional phases existing in many materials systems, ranging from two-dimensional materials to core regions of extended defects in crystalline solids. We review the current status of theoretical, computational, and experimental research on the “defect phases,” focusing on grain boundaries (GBs) in elemental and multicomponent polycrystalline materials. After reviewing the generalized concept of a phase of any dimensionality, we discuss recent progress in atomistic computer simulations of GB phase transformations and phase coexistences, including the observation of one-dimensional defects separating GB phases (defects in defects). Computational predictions compare well with experimental observations of multiple GB phases and segregation-induced phase transformations. An intriguing open question of GB thermodynamics is whether the GB free energy can be driven to a zero value by increasing solute segregation. We review recent efforts to understand this ultimate thermodynamic stabilization of GB phases and the possible polycrystalline microstructures that may arise. An outlook for future research in the field is discussed.

Materials science↗
DOE OSTI2021

Current-Source Solid-State DC Transformer Integrating LVDC Microgrid, Energy Storage, and Renewable Energy Into MVDC Grid

Solid-state DC transformer to integrate low-voltage DC (LVDC) microgrid, wind turbine (WT) generator, photovoltaic (PV), and energy storage (ES) into medium-voltage (MV) direct-current (MVDC) distribution grids is attractive. This paper proposes current-source DC solid-state transformer (SST) for MVDC collection system in WT, PV, and ES farms or as an interface between the MVDC grid and the LVDC microgrid. Compared to conventional current-source converter (CSC) based SSTs, a switch reduction scheme on reverse-blocking device bridges is proposed to reduce device count and the number of devices on the DC-link current path. Importantly, the proposed switch reduction scheme is generic and can be applied to the DC ports of DC-AC, AC-DC, or DC-DC hard-switching or soft-switching CSC-based SSTs. Based on this scheme, the proposed current-source DC SSTs are derived, which have reduced electrolytic-capacitor-less DC-link. The proposed DC SSTs also achieve single-stage isolated DC-DC or DC-AC conversion, full-range zero-voltage switching (ZVS) for main switches, zero-current switching (ZCS) for resonant switches, and controlled dv/dt. The proposed DC SSTs, operating principles, predictive control method, the ZVS, and the controlled dv/dt under voltage buck-boost ranges are verified with MV simulations and an experimental prototype based on SiC MOSFETs, diodes, and a nanocrystalline transformer.

14 SOLAR ENERGY↗
DOE OSTI2021

Differential sensitivity to oxygen among the bacteriochlorophylls g in the type-I reaction centers of Heliobacterium modesticaldum

The type-I, homodimeric photosynthetic reaction center (RC) of Heliobacteria (HbRC) is the only known RC in which bacteriochlorophyll g (BChl g) is found. It is also simpler than other RCs, having the smallest number of protein subunits and bound chromophores of any type-I RC. In the presence of oxygen, BChl g isomerizes to 8 1 -hydroxychlorophyll aF (Chl a F ). This naturally occurring process provides a way of altering the chlorophylls and studying the efect of these changes on energy and electron transfer. Transient absorbance diference spectroscopy reveals that triplet-state formation occurs in the antenna chlorophylls of HbRCs but does not provide site-specifc information. Herein, we report on an extended optically detected magnetic resonance (ODMR) study of the antenna triplet states in HbRCs with difering levels of conversion of BChl g to Chl a F . The data reveal pools of BChl g molecules with diferent triplet zero-feld splitting parameters and diferent susceptibilities to chemical oxidation. Finally, by relating the detailed spectroscopic characteristics derived from the ODMR data to the recently solved crystallographic structure, we have tentatively identifed BChl g molecules in which the probability of triplet formation is high and sites at which BChl g conversion is more likely, providing useful information about the fate of the excitation in the complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Topological electride phase of sodium at high pressures and temperatures

Sodium, a textbook example of a nearly-free-electron metal, exhibits unforeseen pressure-induced behavior including the stabilization of numerous polymorphs—some possessing extremely complex unit cells—as well as a metal-to-insulator transition to the iconic hP4 phase. However, until recently, most of the experimental and theoretical studies on solid sodium have been restricted to the low-temperature regime. In this work, using ab initio evolutionary structure searches coupled with quasiharmonic calculations, we discover seven new phases of sodium that are more stable than the known hP4 phase at pressure-temperature conditions that were recently attained in ramp-compression experiments. From these, our calculations suggest that P6 3 /m Na is the ground state between ≈250 GPa at 710 K and ≈350 GPa at 1900 K. Electronic structure calculations show that this phase is a topological semimetal with a Dirac nodal surface that is protected by a nonsymmorphic symmetry S 2z and an electride owing to its non-nuclear charge localized within one-dimensional honeycomb channels and zero-dimensional cages. Our results highlight the complexity of dense sodium's free-energy landscape and intricate electronic structure that emerges at finite temperatures and conditions where ionic cores overlap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Data on incident solar energy

Instrumentation for solar irradiance monitoring, and radiation scales are discussed in a survey of incident solar energy data. The absolute accuracy and intrinsic reliability of the values of the solar constant and zero air mass solar spectrum proposed by the Institute of Environmental Sciences as an ASTM standard are evaluated. Extraterrestrial observations are used for deriving solar irradiance data at ground level for widely varying atmospheric parameters, with special reference to air pollution. The effects of diffuse sky radiance and those of varying slopes of the solar energy collecting surface are examined. Average values of solar energy available at different locations in the United States are included.

Thekaekara, M. P.↗
NASA NTRS1992

Reasoning about energy in qualitative simulation

While possible behaviors of a mechanism that are consistent with an incomplete state of knowledge can be predicted through qualitative modeling and simulation, spurious behaviors corresponding to no solution of any ordinary differential equation consistent with the model may be generated. The present method for energy-related reasoning eliminates an important source of spurious behaviors, as demonstrated by its application to a nonlinear, proportional-integral controlled. It is shown that such qualitative properties of such a system as stability and zero-offset control are captured by the simulation.

Fouche, Pierre↗
DOE OSTI2025

Interlayer Design for Halide Electrolytes in All‐Solid‐State Lithium Metal Batteries

Abstract All‐solid‐state lithium‐metal batteries (ASSLMBs) are promising for transportation electrification due to their superior safety and high energy density. Lithium halide electrolytes provide excellent processing flexibility, high ionic conductivity, and anodic stability (>4.1 V), making them highly compatible with high‐voltage cathodes, surpassing sulfide electrolytes (<2.1 V). Nevertheless, halide electrolytes suffer from low cathodic stability and form an electronically conductive interphase with lithium, resulting in a critical current density (CCD) of nearly zero. Herein, Li 3 YbCl 6 electrolytes are synthesized that are kinetically stable with lithium by forming an electronic insulating solid electrolyte interphase. Guided by critical overpotential criteria, a PI 3 interlayer is designed that transforms into Li 6 PI 3 upon contact with lithium, substantially reducing the interfacial resistance of Li 3 YbCl 6 against lithium to 34 Ω and achieving a high critical overpotential of 114 mV. By substituting Yb with Lu, Li 3 LuCl 6 electrolytes with Li 6 PI 3 interlayers reach a CCD of 1.0 mA cm −2 at a capacity of 1.0 mAh cm −2 , comparable to sulfide electrolytes but with higher oxidation stability. Additionally, Li 6 PI 3 enables stable cycling of Li//Li cells with Li 3 LuCl 6 electrolytes at 0.5 mA cm −2 for 400 cycles and maintains 86.5% capacity in Li//LiCoO 2 cells after 220 cycles at 30 °C, paving the way for high‐performance ASSLMBs.

Chemistry↗