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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Polynitrogen High Energy Density Materials Synthesized by Nonequilibrium Plasma

Metal pentazolate compounds that contain 5-nitrogen singly charged anion rings are an interesting class of materials from a thermodynamics perspective. These compounds are believed to be equilibrium phases only at extremely high pressures, and thus, they constitute exotic states of matter at ambient pressure and temperature. Moreover, the energy released by these pentazolate compounds upon relaxation to the equilibrium state at ambient conditions is in the range 1 to 10 MJ per kg, rivaling that of combustion reactions. The synthesis of pentazolates is not an easy task, and there are only two known methods, each of which has significant challenges. Here, the development of new scalable synthesis routes could enable the production of these exotic materials in sufficient quantity to explore their properties more widely beyond the context of explosives and propellants. In this Perspective, it is argued that nonequilibrium plasma is a promising reaction medium for the synthesis of metal pentazolate compounds, for example from the corresponding metal azide and N 2 gas activated by the discharge at low background temperature.

Chemical reactions↗
DOE OSTI2023

Two-layer cathode architecture for high-energy density and high-power density solid state batteries

Solid state batteries with high-energy density and high-power density require the development of thick and energy dense cathodes. Structured cathode electrodes with a double-layer configuration were enabled using a freeze tape casting technique. A bottom dense layer was utilized to enhance the energy density whereas a top porous layer with vertically aligned walls was utilized to enhance the power density. The porous structure of the power layer was achieved by ice templating this layer on top of the densified energy layer of the cathode. This configuration was found to better utilize the active material of the cathodes and was optimized using numerical simulation and computer modeling. Cells with Li metal anode and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) at approximately 5 and 20 mg/cm 2 were cycled at 70 °C at different C-rates. Poly(ethylene oxide) (PEO) with lithium bis-trifluoromethanesulfonimide (LiTFSI) was used for the catholyte and the solid-state electrolyte. The structured cathodes exhibited more than double capacity values as well as better Coulombic efficiency compared to non-structured (single-layer) thick cathodes. In conclusion, synchrotron X-ray tomography and scanning electron microscopy were used to characterize the microstructure of the cathodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Potential energy surfaces for high-energy N + O 2 collisions

Potential energy surfaces for high-energy collisions between an oxygen molecule and a nitrogen atom are useful for modeling chemical dynamics in shock waves. In the present work, we present doublet, quartet, and sextet potential energy surfaces that are suitable for studying collisions of O 2 ( 3 Σ$^{–}_{g}$) with N( 4 S) in the electronically adiabatic approximation. Two sets of surfaces are developed, one using neural networks (NNs) with permutationally invariant polynomials (PIPs) and one with the least-squares many-body (MB) method, where a two-body part is an accurate diatomic potential and the three-body part is expressed with connected PIPs in mixed-exponential-Gaussian bond order variables (MEGs). We find, using the same dataset for both fits, that the fitting performance of the PIP-NN method is significantly better than that of the MB-PIP-MEG method, even though the MB-PIP-MEG fit uses a higher-order PIP than those used in previous MB-PIP-MEG fits of related systems (such as N 4 and N 2 O 2 ). However, the evaluation of the PIP-NN fit in trajectory calculations requires about 5 times more computer time than is required for the MB-PIP-MEG fit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Opportunities and Challenges of High-Energy Lithium Metal Batteries for Electric Vehicle Applications

Lithium metal batteries have great advantages over state-of-the-art lithium ion batteries in terms of energy density and cost, which present huge opportunities for long-range and low-cost electric vehicles in the future. However, the automotive industry has critical requirements on specific characteristics of battery cells, including but not limited to cycle life, working temperature range, fast discharge–charge capability, volume change, safety, and so on. In this Focus Review, we discuss both the cell- and system-level requirements and challenges of high-energy-density lithium metal batteries for future electrical vehicle applications and highlight some recent key progress in these aspects. Furthermore, our main objective is to identify key strategies on how to solve these challenges and inspire more research and development effort to accelerate the practical applications of lithium metal batteries.

25 ENERGY STORAGE↗
NASA NTRS1988

Design of an expert system for estimating the cost of new knowledge in high energy astrophysics

The High Energy Astrophysics Costing Tool (HEACT) is a combined Expert System/Numerical Simulation to evaluate sensors and experiments proposed for space platforms in order to determine their expected performance and to assess the amount and quality of scientific information likely to be gathered by such experiments. The end product of this tool will be both a cost estimate for the experiment package as deployed and also an estimate of the amount of new scientific knowledge (both new data and reductions in the uncertainties of previous measurements) which would result from the actual deployment and operation of that experiment package. The numerical simulation part of HEACT will contain components to: (1) calculate the high energy signatures of both actual and proposed classes of astrophysical objects, and (2) model the response and resolution of the candidate sensors for observing those objects. The rule based part of the HEACT will be based on knowledge in the areas of experiment design, instrument selection, and system integration developed from experience with existing high energy astrophysics observatories, both orbiting and lofted by rockets or balloons. This paper presents mainly results from the design of the rule-based part of HEACT. It focuses on the structure of the rules and the structures used to represent the knowledge related to the design and integration of such experiments. Methods for integrating the results from numerical simulations into the expert system will also be discussed.

Bosworth, Edward L., Jr.↗
NASA NTRS2000

CLUST - EVAP Monte Carlo Simulation Applications for Determining Effective Energy Deposition in Silicon by High Energy Protons

The CLUST-EVAP is a Monte Carlo simulation of the interaction of high energy (25 - 400 MeV) protons with silicon nuclei. The initial nuclear cascade stage is modeled using the CLUST model developed by Indiana University over 30 years ago. The second stage, in which the excited nucleus evaporates particles in random directions, is modeled according to the evaporation algorithm provided by H. H. K. Tang of IBM. Using the CLUST-EVAP code to model fragment produ6tion and the Vavilov-Landau theory to model fluctuations in direct ionization in thin silicon layers, we have predicted energy deposition in silicon components for various geometrical configurations. We have compared actual measurements with model predictions for geometry's such as single, thin silicon particle detectors, telescopic particle detectors flown in space to measure the environment, and thin sensitive volumes of modern micro-electronic components. We have recently compared the model predictions with actual measurements made by the DOSTEL spectrometer flown in the Shuttle payload bay on STS-84. The model faithfully reproduces the features and aids in interpretation of flight results of this instrument. We have also applied the CLUST-EVAP model to determine energy deposition in the thin sensitive volumes of modern micro-electronic components. We have accessed the ability of high energy (200 MeV) protons to induce latch-up in certain devices that are known to latch up in heavy ion environments. However, some devices are not nearly as susceptible to proton induced latch-up as expected according to their measured heavy ion latch-up cross sections. The discrepancy is believed to be caused by the limited range of the proton-silicon interaction fragments. The CLUST-EV AP model was used to determine a distribution of these fragments and their range and this is compared to knowledge of the ranges required based on the known device structure. This information is especially useful in accessing the risk to on-orbit perfonnance in a heavy ion environment based on testing performed with only protons.

ONeill, Pat M.↗
NASA NTRS1986

Average transverse momentum and energy density in high-energy nucleus-nucleus collisions

Emulsion chambers were used to measure the transverse momenta of photons or pi(0) mesons produced in high-energy cosmic-ray nucleus-nucleus collisions. A group of events having large average transverse momenta has been found which apparently exceeds the expected limiting values. Analysis of the events at early interaction times, of the order of 1 fm/c, indicates that the observed transverse momentum increases with both rapidity density and energy density.

Burnett, T. H.↗
DOE OSTI2020

CsPbBr3 perovskite detectors with 1.4% energy resolution for high-energy γ-rays

Halide perovskite semiconductors are poised to revitalize the field of ionizing radiation detection as they have done to solar photovoltaics. We show that all-inorganic perovskite CsPbBr 3 devices resolve 137 Cs 662-keV γ-rays with 1.4% energy resolution, as well as other X- and γ-rays with energies ranging from tens of keV to over 1 MeV in ambipolar sensing and unipolar hole-only sensing modes with crystal volumes of 6.65 mm 3 and 297 mm 3 , respectively. Furthermore, we report the scale-up of CsPbBr 3 ingots to up to 1.5 inches in diameter with an excellent hole mobility–lifetime product of 8 × 10 -3 cm 2 V -1 and a long hole lifetime of up to 296 μs. CsPbBr 3 detectors demonstrate a wide temperature region from ~2 °C to ~70 °C for stable operation. Detectors protected with suitable encapsulants show a uniform response for over 18 months. Consequently, we identify perovskite CsPbBr 3 semiconductor as an exceptional candidate for new-generation high-energy γ-ray detection.

47 OTHER INSTRUMENTATION↗