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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Visible-Light Photoinitiation of (Meth)acrylate Polymerization with Autonomous Post-Conversion

Conversion plateaus rapidly in radical photopolymerizations (RPPs) following discontinuation of irradiation due to rapid termination of reactive radicals, which restricts the wider use of RPPs in applications that involve nonuniform light access including those with attenuated light transmission or irregular surfaces. Based on our recent report of a radical dark-curing photoinitiator (DCPI) that continues polymerization beyond the cessation of irradiation by enabling latent redox initiation with photo-released amine in the presence of a suitable oxidant, we developed a new DCPI with an absorption spectrum that extends well into the visible range. Our design process involved a series of computational investigations of candidate molecules, including a systematic study of substituents and their position-dependent effects on absorption characteristics, electronic transitions, and the photochemical mechanism and its associated energetics. Our quantum chemical computations identified the target compound 5,7-dimethoxy-6-bromo-3-aroylcoumarin-DMPT/BPh4 and predicted that it would facilitate the dark-curing mechanism by concurrent photo-radical generation and photo-induced release of an efficient redox reductant under visible irradiation. This reductant-tethered chromophore was then synthesized and optically characterized with UV–vis spectroscopy that revealed its strong visible-light absorption with a molar absorptivity of 5710 M–1 cm–1 at 405 nm and 50 M–1 cm–1 at 455 nm. We then demonstrated extensive dark-curing of >35% additional conversion over 25 min following brief activation of the shelf-stable one-part system by irradiation with a 455 nm LED that was ceased at 20% conversion. In contrast, shuttering irradiation of the control formulation at that same point resulted in immediate cessation of conversion, which plateaued at 20%. We determined a remarkable initiator efficiency of 2.82 that results from the additional redox-generated radicals with a 77% photo-reductant generation quantum yield. The combination of superior photo- and dark-curing efficiencies of this new visible DCPI is expected to open new application opportunities in RPP, especially those involving resins that are highly light attenuating, surfaces that possess irregular features that produce uneven irradiance, and production lines where continued dark-curing downstream of the light activation step enhances line efficiencies.

absorption spectrum↗
DOE OSTI2020

The Instability of Monolayer-Thick PbSe on VSe 2

Two-dimensional monolayers derived from 3D bulk structures remain a relatively unexplored class of materials because of the challenge of stabilizing non-epitaxial interfaces. Here, we report an unusual reconstruction during the deposition of precursors when targeting the synthesis of heterostructures with an odd number of PbSe monolayers. Multilayer elemental precursors of Pb|Se + V|Se were deposited to have correct number of atoms to form [(PbSe) 1+δ ] q (VSe 2 ) 1 where q is the number of PbSe monolayers in the heterostructure. Structural analysis of the self-assembled precursor via xray reflectivity, x-ray diffraction, and HAADF-STEM suggests three different behaviors upon deposition. Precursors with q 7 and even values of q have the targeted nanoarchitectures after deposition which are maintained as the products are selfassembled through a near diffusionless process. Significant lateral surface diffusion occurred during deposition of precursors with q = 1, 3, and 5 resulting in the precursor having a different nanoarchitecture than targeted. Additional perpendicular long range diffusion occurs during self-assembly of these precursors resulting in different final products than targeted. DFT calculations of PbSe blocks show that the odd numbered layers are less stable than even numbered layers, which suggests an energetic driving force for the observed rearrangement. This work highlights the importance of understanding the reaction mechanism when attempting to prepare 2D layers of constituents with bulk 3D structures.

36 MATERIALS SCIENCE↗
NASA NTRS1989

The magnetospheric response to 8-minute period strong-amplitude upstream pressure variations

This paper documents a series of brief, strong (delta p/p = 1), dynamic pressure oscillations that occurred in the region upstream of the earth's bow shock during a period of radial interplanetary magnetic field. The analyzed set of oscillations, which may be either intrinsic solar wind or bow shock-related phenomena, recur approximately every 8-10 min, and their magnetic field signatures occur nearly simultaneously over great distances transverse to the earth-sun line. The pressure oscillations appear to drive tailward-moving magnetopause surface wavelets. In turn, the surface wavelets can be identified as hydromagnetic waves with strong compressional components in the outer magnetosphere and as quasi-periodic variations in electron precipitation and high-latitude ground pulsations. Observations by spacecraft in the outer dayside magnetosphere are used to predict geosynchronous and subsolar magnetic field strengths, the location of the subsolar magnetopause, the solar wind dynamic pressure, and variations in the energetic magnetospheric ion flux.

Sibeck, D. G.↗
NASA NTRS1992

The modulation of the low-latitude radiation budget by cloud and surface forcing on interannual time scales

Regionally confined interannual perturbations in the tropical radiation budget associated with east-west circulations are examined along with the forcing mechanisms of these perturbations in relation to surface and cloudiness variability. A zonal harmonic analysis of emitted longwave radiation emphasizes that these variations are largely controlled at the planetary wave scale. The overall effect leads to an approximately 50 deg/yr propagation phase speed that is considerably slower than the oceanic Kelvin wave capable of driving east-west longwave (LW) anomalies through SST feedback. Examination of the time-dependent radiative energetics over the tropics reveals that the aforementioned anomaly LW propagation is mainly due to cloud forcing associated with east-west circulation changes. Diabatic heating associated with coupled ocean-atmosphere feedback appears to be larger responsible for the LW anomaly propagation.

Sohn, Byung-Ju↗
NASA NTRS1999

Martian Radiation Environment Experiment (MARIE)

Space radiation presents a very serious hazard to crews of interplanetary human missions. The two sources of this radiation are the galactic cosmic rays (GCR) and solar energetic particle (SEP) events. The GCR provides a steady source of low dose rate radiation that is primarily responsible for stochastic effects, such as cancer, and can effect the response of the central nervous system. Nuclear interactions of these components with the Martian atmosphere produces substantial flux of neutrons with high Radio Biological Effectiveness. The uncertainty in the knowledge of many fragmentation cross sections and their energy dependence required by radiation transport codes, uncertainties in the ambient radiation environment, and knowledge of the Martian atmosphere, lead to large enough uncertainties in the knowledge of calculated radiation dose in both free space (cruise phase), in Martian orbit, and on Martian surface. Direct measurements of radiation levels, the relative contributions of protons, neutrons, and heavy ions, and Martian atmospheric characteristics is thus a prerequisite for any human mission. An integrated suite of two spectrometers to provide these data will be described. The Orbiter spectrometer will measure the energy spectrum of SEP events from 15 to 500 MeV/n, and when combined with data from other space based instruments, such as the Advanced Composition Explorer (ACE), would provide accurate GCR spectra also. The Lander spectrometer would measure the absorbed dose rate, dose equivalent dose rate, and the linear energy transfer (LET) spectra and is capable of separating the relative contribution of these quantities from protons, neutrons, and high Z particles. There are two separate flight instruments, one for the Orbiter and one for the Lander, based on a common design of the backplane, the central processing unit (CPU), power supply, and onboard data storage. The Orbiter instrument consists of an energetic particle spectrometer that can measure the elemental energy spectra of charged particles over energy range of 15-500 MeV/n. The spectrometer will be mounted on the science deck and has an angular acceptance of 50 degrees. As the spacecraft orbits Mars, the axis of this field of view sweeps a cone of directions on the sky. During each orbit, the angle between the axis of the spectrometer's field of view and the mean interplanetary field direction varies from 90 degrees to 180 degrees. The Lander instrument is designed: (1) to measure the accumulated absorbed dose and dose rate in tissue as a function of time, (2) to determine the radiation quality factor, (3) to determine the energy deposition spectrum from 0.1 keV/micron to 1500 keV/micron, and (4) to separate the contribution of protons, neutrons, and HZE particles to these quantities.

Badhwar, Gautam D.↗
DOE OSTI2022

Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi 2 Te 4

Magnetism in topological materials creates phases exhibiting quantized transport phenomena with potential technological applications. The emergence of such phases relies on strong interaction between localized spins and the topological bands, and the consequent formation of an exchange gap. However, this remains experimentally unquantified in intrinsic magnetic topological materials. Here, this interaction is quantified in MnBi 2 Te 4 , a topological insulator with intrinsic antiferromagnetism. This is achieved by optically exciting Bi-Te p states comprising the bulk topological bands and interrogating the consequent Mn 3d spin dynamics, using a multimodal ultrafast approach. Ultrafast electron scattering and magneto-optic measurements show that the p states demagnetize via electron-phonon scattering at picosecond timescales. Despite being energetically decoupled from the optical excitation, the Mn 3d spins, probed by resonant X-ray scattering, are observed to disorder concurrently with the p spins. Together with atomistic simulations, this reveals that the exchange coupling between localized spins and the topological bands is at least 100 times larger than the superexchange interaction, implying an optimal exchange gap of at least 25 meV in the surface states. Here, by quantifying this exchange coupling, this study validates the materials-by-design strategy of utilizing localized magnetic order to manipulate topological phases, spanning static to ultrafast timescales.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Simulation of external and internal electrostatic discharges at the spacecraft system test level

Environmental test activities concerned with space plasma-caused charging and discharing phenomena are discussed. It is pointed out that the origin of such an electrostatic discharge (ESD) is charging of spacecraft dielectrics by an energetic plasma in geosynchronous orbit, Jupiter's magnetosphere, or other similar space environments. In dealing with environmental testing problems, it is necessary to define the location and magnitude of any ESD's in preparation for a subsequent simulation of the given conditions. Questions of external and internal charging are discussed separately. The environmental hazard from an external discharge can be assessed by viewing the dielectric surface as one side of a parallel plate capacitor. In the case of internal charging, the level of environmental concern depends on the higher energy spectrum of the ambient electrons.

Whittlesey, A.↗
NASA NTRS1996

X-Ray Imaging Study

The space environment in which the Space Station Freedom and other space platforms will orbit is truly a hostile environment. For example, the currently estimated integral fluence for electrons above 1 Mev at 2000 nautical miles is above 2 x 1O(exp 10) electrons/sq cm/day and the proton integral fluence is above 1 x 10(exp 9) protons/sq cm/day. At the 200 - 400 nautical miles, which is more representative of the altitude which will provide the environment for the Space Station, each of these fluences will be proportionally less; however, the data indicates that the radiation environment will obviously have an effect on structural materials exposed to the environment for long durations. The effects of this combined environment is the issue which needs to be understood for the long term exposure of structures in space. At the same time, there will be substantial potential for collisions between the space platforms and space debris. The current NASA catalogue contains over 4500 objects floating in space which are not considered payloads. This debris can have significant effects on collision with orbiting spacecraft. In order to better understand the effect of these hostile phenomena on spacecraft, several types of studies are being performed to simulate at some level the effect of the environment. In particular the study of debris clouds produced by hypervelocity impact on the various surfaces anticipated on the Space Station is very important at this point in time. The need to assess the threat of such debris clouds on space structures is an on-going activity. The Space Debris Impact facility in Building 4612 provides a test facility to monitor the types of damage produced with hypervelocity impact. These facilities are used to simulate space environmental effects from energetic particles. Flash radiography or x-ray imaging has traditionally provided such information and as such has been an important tool for recording damage in situ with the event. The proper operation of the system can provide much useful information with respect to parametric analysis of the hypervelocity experiment. The following report outlines the procedures developed to optimize the operation of the x-ray imaging system and its operational characteristics.

OBrien, Susan K.↗
DOE OSTI2026

Rapid Analyses of Sparse Seismoacoustic Data Reveals the Timing and Size of the Accurate Energetic Systems Explosion

On 10 October 2025 an explosion occurred at a facility operated by Accurate Energetic Systems in Humphreys County, Tennessee. The incident resulted in 16 fatalities and created a debris field over several square kilometers. To address remaining questions about explosion timing and size, we collected about 20 seismic and 19 acoustic records of the blast from sensors up to hundreds of kilometers away. We then deployed 10 distinct physics-based, reduced order models (ROMs) that used validated geological structure and atmospheric conditions from the time of the event, along with observations of body- and surface-wave energy, as well as acoustic overpressure and phase duration. Each ROM predicted either timing, yield estimates, or both. We binned these estimates and their uncertainties according to each ROMs’ assumptions about confinement (aboveground, buried fully coupled, and buried partially coupled) and combined these estimates with other forensic data to conclude that the event occurred as a single, aboveground explosion on 10 December 2025 12:47:50.8 ±0.1 s with a yield equivalent to 11.8 [2.3,16.5] tons of Trinitrotoluene. Our estimates align with the Bureau of Alcohol, Tobacco, Firearms and Explosives inventory reports of 11–13 tons. This multimethod approach demonstrates the use of remotely observed geophysical data to rapidly aid conventional forensic investigations of accidental explosions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Stable CdTe Photoanodes with Energetics Matching Those of a Coating Intermediate Band

Here, a TiO 2 coating was grown on a CdTe absorber by atomic layer deposition for stabilization against its photocorrosion during photoelectrochemical water splitting. Under simulated sunlight (AM 1.5G, 100 mW cm –2 ), this multilayer CdS/CdTe/TiO 2 /Ni/NiO x photoanode produced a light-limited photocurrent density of 24.5 ± 0.5 mA cm –2 and a photovoltage of 780 ± 20 mV. This record energy-conversion performance was comparable to those of baseline CdS/CdTe solar cells and was achieved only after the development of proper CdTe surface treatments prior to coating the stabilization layer. The TiO 2 coating, with its in-gap charge-transport intermediate band, facilitates hole transport as light exits the CdTe/TiO 2 interface. With proper interfacial chemistry, the electrochemical potential energy of the coating intermediate band matched that of the CdTe valence band. Moreover, the stabilized CdS/CdTe/TiO 2 /Ni/NiO x photoanodes showed 100 h stability for water oxidation under light-on/light-off cycles. This study provides insightful guidance for designing stabilization contacts for efficient and stable light-driven water oxidation.

14 SOLAR ENERGY↗
NASA NTRS1978

Compressor seal rub energetics study

The rub mechanics of compressor abradable blade tip seals at simulated engine conditions were investigated. Twelve statistically planned, instrumented rub tests were conducted with titanium blades and Feltmetal fibermetal rubstrips. The tests were conducted with single stationary blades rubbing against seal material bonded to rotating test disks. The instantaneous rub torque, speed, incursion rate and blade temperatures were continuously measured and recorded. Basic rub parameters (incursion rate, rub depth, abradable density, blade thickness and rub velocity) were varied to determine the effects on rub energy and heat split between the blade, rubstrip surface and rub debris. The test data was reduced, energies were determined and statistical analyses were completed to determine the primary and interactive effects. Wear surface morphology, profile measurements and metallographic analysis were used to determine wear, glazing, melting and material transfer. The rub energies for these tests were most significantly affected by the incursion rate while rub velocity and blade thickness were of secondary importance. The ratios of blade wear to seal wear were representative of those experienced in engine operation of these seal system materials.

Laverty, W. F.↗
DOE OSTI2020

Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis

Microkinetic modeling based on density functional theory (DFT) derived energetics is important for addressing fundamental questions in catalysis. The quantitative fidelity of microkinetic models (MKMs), however, is often insufficient to conclusively infer the mechanistic details of a specific catalytic system. Here, this can be attributed to a number of factors such as an incorrect model of the active site for which DFT calculations are performed, deficiencies in the hypothesized reaction mechanism, inadequate consideration of the surface environment under reaction conditions, and intrinsic errors in the DFT exchange-correlation functional. Despite these limitations, we aim at developing a rigorous understanding of the reaction mechanism and of the nature of the active site for heterogeneous catalytic chemistries under reaction conditions. By achieving parity between experimental and modeling outcomes through robust parameter estimation and by ensuring coverage-consistency between DFT calculations and MKM predictions, it is possible to systematically refine the mechanistic model and, thereby, our understanding of the catalytic active site in situ.

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

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Status of Knowledge after Ulysses and SOHO: Session 2: Investigate the Links between the Solar Surface, Corona, and Inner Heliosphere.

As spacecraft observations of the heliosphere have moved from exploration into studies of physical processes, we are learning about the linkages that exist between different parts of the system. The past fifteen years have led to new ideas for how the heliospheric magnetic field connects back to the Sun and to how that connection plays a role in the origin of the solar wind. A growing understanding these connections, in turn, has led to the ability to use composition, ionization state, the microscopic state of the in situ plasma, and energetic particles as tools to further analyze the linkages and the underlying physical processes. Many missions have contributed to these investigations of the heliosphere as an integrated system. Two of the most important are Ulysses and SOHO, because of the types of measurements they make, their specific orbits, and how they have worked to complement each other. I will review and summarize the status of knowledge about these linkages, with emphasis on results from the Ulysses and SOHO missions. Some of the topics will be the global heliosphere at sunspot maximum and minimum, the physics and morphology of coronal holes, the origin(s) of slow wind, SOHO-Ulysses quadrature observations, mysteries in the propagation of energetic particles, and the physics of eruptive events and their associated current sheets. These specific topics are selected because they point towards the investigations that will be carried out with Solar Orbiter (SO) and the opportunity will be used to illustrate how SO will uniquely contribute to our knowledge of the underlying physical processes.

Suess, Steven↗
DOE OSTI2026

Mechanistic insights into CO 2 capture and electrochemical conversion in nonaqueous Na–CO 2 batteries

Developing efficient energy storage systems that capture and convert CO 2 is critical for mitigating carbon emissions. Here, we report a Na–CO 2 battery with ruthenium dioxide (RuO 2 ) cathode catalysts and propane-1,3-diamine (PDA) as an electrolyte additive to enhance CO 2 capture and conversion efficiency. The integration of CO 2 adsorption and electrochemical reduction facilitates activation of the inert CO 2 molecule and circumvents gas–solid–liquid ternary-phase reactions at the interface. We employed density functional theory (DFT) calculations to systematically unravel the reaction mechanisms and energetics governing CO 2 reduction, both with and without PDA. Our results reveal an energetically favorable pathway toward the formation of Na 2 CO 3 and C as final discharge products, rather than sodium oxalate (Na 2 C 2 O 4 ). The CO 2 –amine adduct facilitates charge transfer from PDA to CO 2 , which results in activation of CO 2 . The kinetics of CO 2 conversion and regeneration of PDA were found to be significantly enhanced on the RuO 2 surface compared to the bulk electrolyte. More importantly, pre-activation of CO 2 via the amine–CO 2 adduct lowers the total overpotential to 2.44 V, compared to 3.13 V without PDA. This study provides fundamental insights into CO 2 electroreduction in Na–CO 2 batteries and underscores the promise of electrolyte engineering for sustainable CO 2 utilization and high-performance energy storage.

25 ENERGY STORAGE↗
NASA NTRS1974

The magnetosphere of Jupiter as observed with Pioneer 10. II - Nonrigid rotation of the magnetodisc

The maximum count rates of energetic particles are observed earlier on the inbound pass and later on the outbound pass than one would expect if the Jovian magnetodisk moved rigidly with the planet. This lead and lag cannot be explained by the observed azimuthal distortion of the Jovian magnetic field alone. A possible explanation is that the foot of a magnetic field line in the ionosphere slips with respect to Jupiter's surface. The rate of slippage and the electric field necessary for this is estimated. The electric field may be as large as 2 V/m in the Jovian polar ionosphere.

Northrop, T. G.↗
NASA NTRS1989

Theoretical characterization of selected regions of the ground state potential surface of N2H2

The results of CASSCF/multireference contracted CI calculations with large atomic natural orbital basis sets are presented for selected regions of the N2H2 potential surface. The calculations focused on the addition of an H atom to HN2. This process involves four channels. Approach of the H atom along the HN bond leads to N2 + H2 with no barrier (H abstraction), while approach of the H atom to the other three positions leads to trans-HNNH, cis-HNNH, and NNH2, which are stable minima. These calculations provide the most accurate energetics for these three stable species obtained to date. Combining the results of these calculations with previous results for HN2 provides accurate thermochemical data on these important molecules.

Walch, Stephen P.↗