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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ultrafast Proton-Coupled Electron Transfer Reactions at Unit Quantum Yield

Proton-coupled electron transfer (PCET) reactions mediate essential biological energy-conversion processes, yet dynamical experiments that distinguish concerted electron/proton motion from sequential electron-transfer/proton-transfer pathways are unprecedented on ultrafast time scales. Here we report a tightly coupled donor–spacer–acceptor assembly, NDI-Sp-PhOH/BI, that enables direct interrogation of light-triggered and ultrafast PCET dynamics. Photoexcitation of the naphthalene diimide chromophore drives charge separation forming NDI radical anion and benzimidazolium phenoxy radical (PhO●/BIH+) products with a 440 fs time constant, followed by thermal charge recombination on a 5 ps time scale. Transient visible/near-infrared and mid-infrared spectroscopies independently track electron and proton motion and reveal coincident formation and decay of the charge-separated PCET products, excluding detectable phenol radical cation or phenoxide intermediates expected for sequential electron transfer-proton transfer (ET-PT) pathways. Surface-hopping quasiclassical trajectory simulations demonstrate rapid proton relocation coupled to evolution from locally excited to charge-transfer states, congruent with a concerted mechanism. These combined spectroscopic and computational results establish NDI-Sp-PhOH/BI as an archetype for ultrafast, concerted PCET occurring with unit quantum yield; further, because this platform provides distinct electronic and vibrational spectroscopic handles in its ground, electronically excited, and charge-separated states, it provides new opportunities to characterize mechanistic crossover in biomimetic PCET systems.

10 SYNTHETIC FUELS↗
DOE OSTI2026

Evidence for Photoinduced Polaron Generation in a High Persistence Length Low Bandgap Conjugated Polymer in Solution

Using ultrafast time-resolved infrared (TRIR) spectroscopy, we studied the solution-phase excited-state structural evolution of an indacenodithiophene-co-benzothiadiazole polymer (C8-IDTBT). Following band gap excitation, the TRIR spectra reveal vibrational features that develop within 10 ps and decay over 4 ns. Using pulse radiolysis measurements, charge-modulation spectroscopy, and quantum-chemical calculations, the IR features are assigned to polaron pairs. Interestingly, these features appear on an evolving broad mid-IR electronic absorption background, with kinetics correlating with the formation and decay of the cationradical vibrational bands. A three-state kinetic model successfully reproduces the spectral evolution, revealing that the polaron and exciton populations exist in dynamic equilibrium on picosecond time scales, with time constants for exciton dissociation in the range of 3− 5 ps and polaron-to-exciton reformation between 20 and 100 ps, while both species decay to the ground state on much slower nanosecond time scales (∼1 ns), yielding a remarkably high polaron-generation efficiency, higher than 50%. These findings provide fundamental insights into intramolecular charge photogeneration mechanisms in conjugated polymers, demonstrating efficient bound-polaron formation in isolated polymer chains.

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

Photochemical and Photophysical Dynamics of the Aqueous Ferrate(VI) Ion

Ferrate(VI) has the potential to play a key role in future water supplies. Furthermore, its salts have been suggested as “green” alternatives to current advanced oxidation and disinfection methods in water treatment, especially when combined with ultraviolet light to stimulate generation of highly oxidizing Fe(V) and Fe(IV) species. However, the nature of these intermediates, the mechanisms by which they form, and their roles in downstream oxidation reactions remain unclear. Here, we use a combination of optical and X-ray transient absorption spectroscopies to study the formation, interconversion, and relaxation of several excited-state and metastable high-valent iron species following excitation of aqueous potassium ferrate(VI) by ultraviolet and visible light. Branching from the initially populated ligand-to-metal charge transfer state into independent photophysical and photochemical pathways occurs within tens of picoseconds, with the quantum yield for the generation of reactive Fe(V) species determined by relative rates of the competing intersystem crossing and reverse electron transfer processes. Relaxation of the metal-centered states then occurs within 4 ns, while the formation of metastable Fe(V) species occurs in several steps with time constants of 250 ps and 300 ns. Results here improve the mechanistic understanding of the formation and fate of Fe(V) and Fe(IV), which will accelerate the development of novel advanced oxidation processes for water treatment applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Multiplicity-dependent production of Σ(1385) ± and Ξ(1530) 0 in pp collisions at $\sqrt{s}$ = 13 TeV

The production yields of the Σ(1385) ± and Ξ(1530) 0 resonances are measured in pp collisions at $\sqrt{s}$ = 13 TeV with ALICE. The measurements are performed as a function of the charged-particle multiplicity $\langle$dN ch /dη$\rangle$, which is related to the energy density produced in the collision. The results include transverse momentum (p T ) distributions, p T - integrated yields, mean transverse momenta of Σ(1385) ± and Ξ(1530) 0 , as well as ratios of the p T - integrated resonance yields relative to yields of other hadron species. The Σ(1385) ± /π ± and Ξ(1530) 0 /π ± yield ratios are consistent with the trend of the enhancement of strangeness production from low to high multiplicity pp collisions, which was previously observed for strange and multi-strange baryons. The yield ratio between the measured resonances and the long-lived baryons with the same strangeness content exhibits a hint of a mild increasing trend at low multiplicity, despite too large uncertainties to exclude the flat behaviour. The results are compared with predictions from models such as EPOS-LHC and PYTHIA 8 with Rope shoving. The latter provides the best description of the multiplicity dependence of the Σ(1385) ± and Ξ(1530) 0 production in pp collisions at $\sqrt{s}$ = 13 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

Four-shooter - A large format charge-coupled device camera for the Hale telescope

The Hale telescope has employed an astronomical camera using four 800x800 CCDs in an optical arrangement that allows the imaging of a contiguous 1600-pixel-square region of the sky; reimaging optics are then used to yield a scale of 0.33 arcsec/pixel. Optical coatings are incorporated to yield a throughput at peak efficiency of nearly 50 percent, including telescope losses. This camera can be used in a scanning mode, in which the telescope tracking rate is offset and the charge is clocked in the chips in such a way that the charge image remains aligned with the optical image. Attention is given to the results of a survey for high-redshift quasars using this equipment, which has produced images for the most distant galaxy clusters yet discovered.

Gunn, James E.↗
NASA NTRS2000

Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches

When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain voltage only single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. A pilot version of a hydrodynamic 'atomistic' simulator has been developed in order to study the effect of the nonequilibrium, non local transport in decanano MOSFETs on the random dopant induced current fluctuations. For the first time we have also applied the density gradient approach in 3D to investigate the effect of the quantum confinement on the threshold voltage fluctuations. The developed 'atomistic' simulation techniques have been applied to study various fluctuation resistant MOSFET architectures including epitaxial and delta doped devices.

Asenov, Asen↗
DOE OSTI2026

Progress toward differential cross-section measurements of coherent charged-pion production in charged-current muon neutrino interactions on argon with SBND

Coherent charged pion production in charged-current muon neutrino–nucleus interactions provides a clean experimental signature and enables an excellent estimate of the neutrino energy, making it particularly valuable for neutrino flux constraints and oscillation analyses in future long-baseline experiments. Despite its importance, theoretical modeling of this process remains challenging, especially in the low-energy region below 1 GeV and its dependence on the nuclear target. The Short-Baseline Near Detector (SBND) offers a unique opportunity to study coherent charged pion production using neutrinos in the few-hundred-MeV energy range from the Booster Neutrino Beam (BNB) interacting with an argon target (A = 40), with unprecedented statistics expected to yield approximately three thousand signal events in SBND’s BNB data with 3.5 x 10^20 protons on target. This analysis aims to achieve the first differential cross-section measurement of charged-current coherent charged pion production on argon, as well as the first measurement of this process using BNB neutrinos.

Oh, Sungbin [Fermilab]↗
DOE OSTI2026

Trihydrogen Formation on Gold Nanoparticles in Strong Laser Fields

The tri-hydrogen cation (H+ 3 ) plays a central role in proton-transfer chemistry, astrochemical pathways, and hydrogen plasma environments, acting as a key indicator of ultrafast proton rearrangement. Although H+ 3 formation is studied extensively in the gas phase, its surface-mediated generation and its sensitiv- ity to nanoparticle morphology remain largely unexplored. Gold nanoparticles (AuNPs), which can localize surface charge and sustain strong electric fields, offer an ideal platform to probe such nonequilibrium reaction pathways. Us- ing reaction nanoscopy, we spatially map H+ 3 production on AuNPs exposed to intense femtosecond laser fields. By comparing spherical and faceted nanopar- ticles, we demonstrate how morphology modulates charge density and governs reaction efficiency. We find that sharp features on faceted particles concen- trate charge more effectively, promoting molecular fragmentation and enabling proton rearrangement and migration that enhance H+ 3 yields. This work opens new directions for exploiting strong-field interactions at metal interfaces to drive nanoscale reactivity and photocatalysis.

Dagar, Ritika [SLAC National Accelerator Laborator↗
DOE OSTI2026

Synthesis of NiRu-Layered Double Hydroxide for Enhanced Oxygen Evolution Reaction

Nickel−ruthenium layered double hydroxide (NiRu-LDH) was synthesized by coprecipitation using formamide as both solvent and intercalant. The synthesis was performed at various temperatures to study the impact of temperature on electrochemical performance. Temperature plays a vital role in optimizing LDH synthesis to enhance oxygen evolution reaction (OER) efficiency. The optimal temperature yielded a well-defined morphology with balanced crystallinity, leading to more active sites and improved charge transfer. Electrochemical tests indicated that the NiRu-LDH sample prepared at 50 °C (NiRu-LDH-50) required only 280 mV overpotential versus the reversible hydrogen electrode to achieve 10 mA/cm 2 and exhibited a low Tafel slope of 52 mV/dec, demonstrating excellent catalytic kinetics. This study presents the synthesis of NiRu-LDH via coprecipitation and emphasizes how reaction temperature influences LDH structural properties and OER performance.

Catalysts↗
DOE OSTI2025

Hitting the Thermal Target for Leptophilic Dark Matter at Future Lepton Colliders

We study future lepton collider prospects for testing predictive models of leptophilic dark matter (DM) candidates with a thermal origin. We calculate experimental milestones for testing the parameter space compatible with freeze-out and the associated collider signals at past, present, and future facilities. This analysis places new limits on such models by leveraging the utility of lepton colliders. At 𝑒+⁢𝑒− machines, we make projections using precision 𝑍 -pole observables from 𝑒+⁢𝑒−→ℓ+⁢ℓ−+𝐸 signatures at large electron-positron collider and future projections for future circular collider (ee) in these channels. Additionally, a muon collider could also probe new thermal relic parameter space in this scenario via 𝜇+⁢𝜇−→𝑋+𝐸 , where 𝑋 is any easily identifiable standard model object. Collectively, these processes can probe much of the parameter space for which DM direct annihilation to ℓ+⁢ℓ− yields the observed relic density in Higgs-like models with mass-proportional couplings to charged leptons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Straight Line Geometric Path Lengths – Examples and Distributions

The straight line geometric path distribution of different shapes is a fundamental parameter of any a detector sensitive and in the presence of high energy charged particles such as galactic cosmic rays (GCRs). Knowledge of the straight line path distribution can yield first estimates of the expected energy distribution due to minimum ionizing particles. This predicted shape provides a valuable interpretation tool of spectra of particles that are unlikely to stop in a detector and may present a background or desired signal. These quantities have been calculated many times before including analytically, Coleman (1973), and even in Geant4 software, (Agostinelli, Allison et al. 2003, Santin, Ivanchenko et al. 2005). For this work we utilize the Rapid Adaptable Multi-threaded Particle and Radiation Transport (RAMPART) simulation framework and collect some common shapes all with the same volume to serve as a reference of path lengths and instructions manual for computing other shapes as desired.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1983

A threshold effect for spacecraft charging

The borderline case between no charging and large (kV) negative potentials for eclipse charging events on geosynchronous satellites is investigated, and the dependence of this transition on a threshold energy in the ambient plasma is examined. Data from the Applied Technology Satellite 6 and P78-2 (SCATHA) show that plasma sheet fluxes must extend above 10 keV for these satellites to charge in eclipse. The threshold effect is a result of the shape of the normal secondary yield curve, in particular the high energy crossover, where the secondary yield drops below 1. It is found that a large portion of the ambient electron flux must exceed this energy for a negative current to exist.

Olsen, R. C.↗
NASA NTRS1991

Effect of ohmic, mass-transfer, and kinetic resistances on linear-sweep voltammetry in a cylindrical-pore electrode

A means is presented to account for the effect of ohmic, mass-transfer, and kinetic resistances on linear-sweep voltammograms by modeling a pore in a porous matrix as a cylindrical-pore electrode, and solving the mass and charge conservation equations in the context of this geometry for the simply redox reaction O + ne(-) yield R where both O and R are soluble species. Both analytical and numerical techniques are used to solve the governing equations. The calculated peak currents and potentials are correlated by empirical formulas to the measurable parameters: sweep rate, concentration of the redox species, diffusion coefficient, conductivity of the electrolyte, and pore dimensions. Using the correlations, a methodology is established for determining if the redox reaction kinetics are irreversible or reversible (Nernstian). If the reaction is irreversible, it is shown how the standard rate constant and the transfer coefficient may be extracted from linear-sweep voltammetry data, or, if the reaction is reversible, how the number of electrons transferred may be deduced.

Weidner, John W.↗
NASA NTRS1997

Measurement of Charge Transfer Rate Coefficient Between Ground-State N(2+) Ion and He at Electron-Volt Energies

The charge transfer rate coefficient for the reaction N(2+)(2p(sup 2)P(sup 0)) + He yields products is measured by recording the time dependence of the N(2+) ions stored in an ion trap. A cylindrical radio-frequency ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The decay of the ion signals was analyzed by single exponential least-squares fits to the data. The measured rate coefficient is 8.67(0.76) x 10(exp -11)sq cm/s. The N(2+) ions were at a mean energy of 2.7 eV while He gas was at room temperature, corresponding to an equivalent temperature of 3.9 x 10(exp 3) K. The measured value is in good agreement with a recent calculation.

Fang, Z.↗
NASA NTRS2006

Single Event Effects Test Results for Advanced Field Programmable Gate Arrays

Reconfigurable Field Programmable Gate Arrays (FPGAs) from Altera and Actel and an FPGA-based quick-turnApplication Specific Integrated Circuit (ASIC) from Altera were subjected to single-event testing using heavy ions. Both Altera devices (Stratix II and HardCopy II) exhibited a low latchup threshold (below an LET of 3 MeV-cm2/mg) and thus are not recommended for applications in the space radiation environment. The flash-based Actel ProASIC Plus device did not exhibit latchup to an effective LET of 75 MeV-cm2/mg at room temperature. In addition, these tests did not show flash cell charge loss (upset) or retention damage. Upset characterization of the design-level flip-flops yielded an LET threshold below 10 MeV-cm2/mg and a high LET cross section of about lxlO-6 cm2/bit for storing ones and about lxl0-7 cm2/bit for storing zeros . Thus, the ProASIC device may be suitable for critical flight applications with appropriate triple modular redundancy mitigation techniques.

Field Programmable Gate Arrays↗
NASA NTRSDate not supplied

Lunar Explorer Instrument for space biology Applications (LEIA): An overview of planned science concept of operations

Radiation and reduced gravity pose biological risks to crewed deep space exploration. To better understand deep space radiation biology, the LEIA mission will measure charged particles and fast neutrons as well as yeast growth, metabolic rate, and bioengineered production of carotenoids at the lunar surface. LEIA will be delivered to the south polar region of the Moon by the Commercial Lunar Payload Services (CLPS) program. The LEIA science concept of operations was developed to isolate radiation and partial gravity from other environmental conditions experienced by the payload. Due to CLPS integration requirements, there will be at least eight months from loading yeast into the payload until activation on the lunar surface. Replicate yeast strains will be loaded in a randomized complete block design to minimize batch differences in desiccation tolerance and positional effects in the microfluidics culture system. Temperature and relative humidity will be controlled throughout integration and flight to maintain yeast viability and to enable measurement of yeast growth parameters within the lunar surface operations timeframe, with the ground control matching environmental conditions where possible. LEIA is co-manifested with the European Space Agency’s PROSPECT mission, which will be operating a drill during yeast growth. Vibration translated through the lunar lander will be mitigated and quantified to account for potential impacts on LEIA optical measurements and yeast growth rate. Total space radiation dose, including the transit exposure from Earth to the Moon, will be measured to obtain more accurate charged particle and fast neutron dose rates on the lunar surface. These radiation data will also yield ground truth radiation dose experienced by the yeast during the mission. Quantifying these environmental factors impacting the LEIA payload will allow more accurate ground control experiments to better isolate the biological responses to radiation and reduced gravity at the lunar surface.

Lunar Surface Mission↗
DOE OSTI2024

Revealing the three-dimensional structure of microbunched plasma-wakefield-accelerated electron beams

Abstract Plasma wakefield accelerators use tabletop equipment to produce relativistic femtosecond electron bunches. Optical and X-ray diagnostics have established that their charge concentrates within a micrometre-sized volume, but its sub-micrometre internal distribution, which critically influences gain in free-electron lasers or particle yield in colliders, has proven elusive to characterize. Here, by simultaneously imaging different wavelengths of coherent optical transition radiation that a laser-wakefield-accelerated electron bunch generates when exiting a metal foil, we reveal the structure of the coherently radiating component of bunch charge. The key features of the images are shown to uniquely correlate with how plasma electrons injected into the wake: by a plasma-density discontinuity, by ionizing high- Z gas-target dopants or by uncontrolled laser–plasma dynamics. With additional input from the electron spectra, spatially averaged coherent optical transition radiation spectra and particle-in-cell simulations, we reconstruct coherent three-dimensional charge structures. The results demonstrate an essential metrology for next-generation compact X-ray free-electron lasers driven by plasma-based accelerators.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Charge Density Wave and Ferromagnetism in Intercalated CrSBr

In materials with 1D electronic bands, electron–electron interactions can produce intriguing quantum phenomena, including spin-charge separation and charge density waves (CDW). Most of these systems, however, are non-magnetic, motivating a search for anisotropic materials where the coupling of charge and spin may affect emergent quantum states. Here, in this study, chemical intercalation of the van der Waals magnetic semiconductor CrSBr yields Li 0.17(2) (tetrahydrofuran) 0.26(3) CrSBr, which possesses an electronically driven quasi-1D CDW with an onset temperature above room temperature. Concurrently, electron doping increases the magnetic ordering temperature from 132 to 200 K and switches its interlayer magnetic coupling from antiferromagnetic to ferromagnetic. The spin-polarized nature of the anisotropic bands that give rise to this CDW enforces an intrinsic coupling of charge and spin. The coexistence and interplay of ferromagnetism and charge modulation in this exfoliatable material provide a promising platform for studying tunable quantum phenomena across a range of temperatures and thicknesses.

2D magnets↗