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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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NASA NTRS1974

A catalogue of solar cosmic ray events: IMPS 4 and 5, May 1967 - December 1972

This catalogue of solar cosmic ray events has been prepared for the use of solar physicists and other interested scientists. It contains some 185 solar particle events detected by the Goddard Space Flight Center Cosmic Ray Experiments on IMP's IV and V (Explorer 34 and 41) for the period May 1967 - December 1972. The data is presented in the form of hourly averages for three proton energy intervals - 0.9 - 1.6 MeV; 6 - 20 MeV and 20 - 80 MeV. In addition the time histories of .5 - 1.1 MeV electrons are shown on a separate scale. To assist in the identification of related solar events, the onset time of the electron event is indicated. The details of the instrumentation and detector techniques are described. Further descriptions of data reduction procedure and on the time-history plots are given.

Vanhollebeke, M. A.↗

NASA NTRS1973

Development of a global cloud model for simulating earth-viewing space missions.

Existing global cloud models are improved and expanded so that they might be more effectively used in planning and evaluating potential earth-viewing space missions. A relationship is developed between the ground and satellite-derived cloud-amount frequency distributions. This relationship is used to improve internal consistency between the ground-observed unconditional statistics and the satellite-derived conditional statistics as tabulated in previous models. A statistical technique is developed which permits the scaling of the conditional statistics to time and distance separations other than those for which the data base is tabulated. A new technique to increase or decrease the representative area size of the statistical data base is developed. Both the scaling and area adjustment techniques are shown to represent significant improvements over the techniques previously employed.

Greaves, J. R.↗

DOE OSTI2026

Real-Space Constrained Density Functional Theory Investigation of Site-Specific, Interfacial Charge Recombination Dynamics Across the Au Nanoparticle/TiO 2 Heterojunction

Au nanoparticle (NP)/TiO 2 heterojunction is a representative system to study interfacial charge transfer in photocatalysis and photovoltaics, where suppressing recombination from TiO 2 to Au can enhance hot carrier extraction. We apply real-space constrained density functional theory (CDFT) with Marcus theory to quantify charge recombination time scales across Au/TiO 2 . This approach enables direct control and visualization of charge-separated states, aligning with site-specific probes like time-resolved X-ray photoelectron spectroscopy (trXPS). We find that the charge-separated state features a bipolaron, with recombination dominated by TiO 2 LUMO to Au HOMO transitions, primarily at interfacial Au sites. Marcus rate predictions are benchmarked with surface hopping methods, quantifying differences in time scales and computational efficiency. Lastly, we examine how the Au cluster size affects the free energy change (ΔG) and reorganization energy (λ), explaining trends in closed-shell systems and highlighting challenges for open-shell extrapolations. Overall, CDFT + Marcus theory provides efficient, mechanistically transparent interfacial charge transfer modeling, and we clearly defined its applicability and limitation.

Glenna, Drew M. [Univ. of Idaho, Idaho Falls, ID (↗

NASA NTRS1973

A new approach to the design of time varying control systems with application to the space shuttle booster

A general approach toward the analysis and design of closed loop control for slowly time-varying linear systems was investigated. The approach is by the method of generalized multiple scales, in which slow and fast dynamics are systematically separated by employing different clocks which measure time at varying rates. The clocks, which are necessarily nonlinear functions of time, so that the system dynamics are asymptotically invariant with respect to the new time scale. A transfer function relating the output to the input for general linear slowly time-varying systems is developed and represents the actual system under certain conditions. The clock functions are shown to satisfy an algebraic characteristic equation and can be determined in general in terms of the coefficients.

Ramnath, R. V.↗

NASA NTRS1973

A new approach to the design of time-varying control systems with application to the Space Shuttle Boost

A general approach to the analysis and design of closed-loop control for slowly time-varying linear systems is presented. The approach uses the method of generalized multiple scales in which slow and fast dynamics are systematically separated by employing different 'clocks' which measure time at varying rates. The clocks, which are necessarily nonlinear functions of time, are chosen in such a manner that the system dynamics are asymptotically invariant with respect to the new time scale. A transfer function relating the output to the input for general linear slowly time-varying systems is developed and represents the actual system under certain conditions. The clock function is shown to satisfy an algebraic characteristic equation and can be determined in terms of the coefficients. The approach can be viewed as an extension of time-invariant linear feedback control theory.

Ramanth, R. V.↗

DOE OSTI2026

Ultrafast Spectroscopy in Chemistry

Ultrafast spectroscopy has become an indispensable investigation tool in numerous areas of chemical research encompassing purely synthetic to semiconductor material domains. Harnessing light on its femtosecond time scales offers a glimpse into submolecular processes that direct reaction pathways, energy transfer, charge separation, and many other fundamental chemical phenomena. In this Perspective, we highlight select examples that introduce how ultrafast spectroscopy became a pillar for modern chemical science. We emphasize the achievements of conventional pump–probe spectroscopy by showing its contribution to disentangling peculiar mechanisms of carrier relaxation in semiconductor nanocrystals, charge separation in organic photovoltaic devices, and photoredox catalyst activation. Our examples show that even traditional pump–probe experiments can provide extensive insights that go beyond the resolution of ultrafast time scales if combined with a thorough preliminary assessment of the target system. We conclude with suggestions for how ultrafast spectroscopy in tandem with chemical science can embark on advancing practical quantum information research.

Excitons↗

DOE OSTI2025

Decayheatml

This code is designed to predict and analyze the decay heat generated in molten salt reactors (MSRs) using a hybrid approach that combines machine learning and segmented polynomial fitting. The accurate prediction of decay heat is essential for reactor safety and the optimization of spent fuel storage. The code operates through several key components: 1) Data Architecture: It incorporates a modular data architecture that handles various MSR-specific operational parameters such as power density, humidity content, and air ingress. These parameters are sampled using Sobol sequences to ensure comprehensive coverage of operational uncertainties. 2) Machine Learning Framework: The code employs a diverse set of machine learning models, including polynomial regression, decision trees, random forests, gradient boosting, support vector regression, k-nearest neighbors, multi-layer perceptrons, and symbolic regression. These models are trained to predict decay heat over a wide temporal range, from immediate shutdown up to 10,000 years. 3) Region-Optimized Training: The temporal domain is divided into multiple regions, each modeled separately to capture distinct decay heat characteristics across different time scales. This approach significantly improves the accuracy and interpretability of predictions. 4) Segmented Polynomial Interpretation (SPI): The SPI method translates machine learning predictions into piecewise polynomial equations. These equations are physically interpretable and can be directly integrated into existing engineering workflows and safety analyses. 5) Front-End Interfaces: The code includes both a Jupyter notebook interface for research development and a Streamlit web application for operational deployment. These interfaces allow users to interactively explore decay heat predictions, adjust operational parameters, and visualize results in real-time. 6) Applications: The framework supports various applications, including safety system validation and spent fuel container optimization. It enables real-time evaluation of worst-case decay heat scenarios, informing the design of passive safety systems and optimizing container designs for long-term storage. Overall, this code provides a robust, accurate, and user-friendly tool for predicting decay heat in MSRs, enhancing reactor safety, and optimizing spent fuel management.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

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↗

NASA NTRS1979

Alsep data processing: How we processed Apollo Lunar Seismic Data

The Apollo lunar seismic station network gathered data continuously at a rate of 3 x 10 to the 8th power bits per day for nearly eight years until the termination in September, 1977. The data were processed and analyzed using a PDP-15 minicomputer. On the average, 1500 long-period seismic events were detected yearly. Automatic event detection and identification schemes proved unsuccessful because of occasional high noise levels and, above all, the risk of overlooking unusual natural events. The processing procedures finally settled on consist of first plotting all the data on a compressed time scale, visually picking events from the plots, transferring event data to separate sets of tapes and performing detailed analyses using the latter. Many problems remain especially for automatically processing extraterrestrial seismic signals.

Latham, G. V.↗

NASA NTRS1980

How we processed Apollo lunar seismic data

The Apollo lunar seismic station network gathered data continuously at a rate of 3 x 10 to the 8th bits per day for nearly eight years until termination in September, 1977. The data were processed and analyzed using a PDP-15 minicomputer. On average, 1500 long-period seismic events were detected yearly. Automatic event detection and identification schemes proved unsuccessful because of occasional high noise levels and, above all, the risk of overlooking unusual natural events. The processing procedures which were finally chosen consist of plotting all the data on a compressed time scale, visually picking events from the plots, transferring event data to separate sets of tapes and performing detailed analyses using the latter. Many problems remain, especially in the automatic processing of extraterrestrial seismic signals.

Nakamura, Y.↗

NASA NTRS1977

Extraction of the large eddy structure of a turbulent boundary layer

Much attention is currently being focused on turbulence modeling by separation of large-scale and small-scale turbulence. One major difficulty with this method is the problem of separating and defining the large-scale structure. In this paper, a method is presented which does this separation by analyzing time-averaged, two-point double velocity correlation measurements. The basis of the method is a maximization of the inner product of a candidate velocity field with the measured turbulent velocity field. An eigenvalue problem results, whose solution provides a set of orthogonal eigenfunctions associated with specific modes of turbulent motion. The large-scale eddy, containing most of the turbulent energy, is associated with the first (largest) mode. The turbulent velocity field is then represented as a sum of the eigenfunctions. A short description of the equations is given, the methods of solution are discussed, and some results for a two-dimensional fully developed turbulent boundary layer are presented.

Lemmerman, L. A.↗

NASA NTRS1979

The instability of a horizontal magnetic field in an atmosphere stable against convection

The theoretical problem posed by the buoyant escape of a magnetic field from the interior of a stably stratified body bears directly on the question of the present existence of primordial magnetic fields in stars. This paper treats the onset of the Rayleigh-Taylor instability of the upper boundary of a uniform horizontal magnetic field in a stably stratified atmosphere. The calculations are carried out in the Boussinesq approximation and show the rapid growth of the initial infinitesimal perturbation of the boundary. This result is in contrast to the extremely slow buoyant rise of a separate flux tube in the same atmosphere. Thus for instance, at a depth of 1/3 of a solar radius beneath the surface of the sun, a field of 100 G develops ripples over a scale of 1000 km in a characteristic time of 50 years, whereas the characteristic rise time of the same field in separate flux tubes with the same dimensions is 10 billion years. Thus, the development of irregularities proceeds quickly, soon slowing, however, to a very slow pace when the amplitude of the irregularities becomes significant. Altogether, the calculations show the complexity of the question of the existence of remnant primordial magnetic fields in stellar interiors.

Parker, E. N.↗

NASA NTRS1981

HEAO 1 observations of high-energy X-rays from the Seyfert I galaxy Mkn 509

The results of observations of the Seyfert I galaxy Mkn 509 at high X-ray energies (14-140 keV) with the UCSD/MIT instrument aboard HEAO 1 are reported. The source is detected at energies above 40 keV, and the spectrum is consistent with an extrapolation of the power-law spectrum obtained at lower X-ray energies. Observations on four separate days in 1978 October indicate that the source is varying on a time scale of days.

Dil, S.↗

DOE OSTI2025

Energy-resolved neutron imaging and diffraction including grain orientation mapping using event camera technology

Time-of-flight neutron diffraction and energy-resolved imaging each provide unique perspectives into material properties. Neutron diffraction is useful for assessing microstructural parameters such as phase composition, texture, and dislocation densities, though it typically provides averaged data over the sampled volume. Energy-resolved imaging, on the other hand, offers both spatial and spectral information by detecting Bragg edges and neutron absorption resonances, which enables detailed mapping of microstructure and isotopic composition. When combined, these techniques have the potential to enrich our understanding of material behavior across different scales, enhancing our understanding of complex materials. Traditionally, these modalities are conducted on separate instruments, which is time-consuming and poses challenges for data integration. Here, we report the integration of the LumaCam, an event-mode energy-resolved neutron imaging camera with the HIPPO time-of-flight diffractometer at LANSCE. This integration enables simultaneous diffraction and imaging across the full spectrum, with analysis optimized for diffraction and Bragg-edge imaging in the thermal range (0.45–10 Å) and resonance imaging in the epithermal range (0.5–3000 eV), facilitating comprehensive multi-modal analysis. We demonstrate its capabilities through case studies, including spatial mapping of grain orientations in a steel sample and accurate thickness estimations for irregular samples including a depleted uranium cylinder and a natural silver-containing mineral specimen. The combined setup enhances real-time sample alignment and provides comprehensive data for crystal structure, texture, and isotopic composition analysis. This approach opens new possibilities for advanced applications in nuclear engineering, archaeology, and materials science.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Hierarchical-embedding autoencoder with a predictor as efficient architecture for learning time-evolution in multi-scale turbulent flows

We introduce a scale-aware, data-driven deep learning modeling framework for accurately predicting the time evolution of multi-scale turbulent plasma and liquid flows. The approach is motivated by the idea of scale separation. Structures of vastly different length scales emerge in these systems, and interactions between these structures occur only locally. To exploit this structure, the flow state is transformed by a hierarchical, fully convolutional autoencoder, not into a single embedding layer as in conventional convolutional surrogate models, but into a series of embedding layers. A stepwise training strategy ensures that fine-scale features are encoded on a high-resolution grid, while larger structures are represented on progressively coarser layers. The time evolution predictor advances all embedding layers in sync, capturing local interactions between features at the same scale as well as between all scales. This approach enables efficient modeling of multi-scale systems since negligible interactions between distant, small-scale structures do not need to be directly modeled. Our hierarchical-embedding autoencoder with a predictor framework is evaluated on canonical examples of multi-scale turbulence: two-dimensional Kolmogorov flow and Hasegawa–Wakatani plasma turbulence. In both cases, the proposed framework significantly improves predictive accuracy relative to conventional convolutional network architectures. A significant improvement in prediction accuracy was observed for crucial statistical characteristics of the Hasegawa–Wakatani plasma as well as for individual trajectories of the Kolmogorov flow turbulence. Importantly, the model's rollout for the Hasegawa–Wakatani problem demonstrates a four-order-of-magnitude speedup compared to traditional numerical solvers.

Khrabry, Alexander I. [Princeton Univ., NJ (United↗

NASA NTRS1976

Surface-pressure fluctuations associated with aerodynamic noise on the space shuttle launch configuration at transonic and supersonic speeds

A 0.035-scale space shuttle model was recently tested at Ames Research Center to define the fluctuating surface pressures during the launch phase of the full-scale vehicle. A 120-channel data acquisition and reduction system was employed to obtain fluctuating pressure measurements from 240 pressure transducers in two separate data passes. Time histories from all transducers were recorded on four 32-track FM tape recorders. A minicomputer was used to compute and record on-line rms values, the fluctuating pressure coefficient, and full-scale dB levels. The minicomputer also partially controlled the test conditions and fully controlled all data acquisition sequences, thus greatly improving the efficiency of test operations. This paper presents details of the tests and illustrates the fluctuating pressures that will occur on the space shuttle and launch vehicle.

Hanly, R. D.↗

DOE OSTI2026

Hot-Carrier Injection and Millisecond Charge Separation from a Robust Heteroleptic Iron(II) Chromophore Immobilized on TiO 2

The synthesis, spectroscopic characterization, computational analysis, and photoelectrochemical behavior of a new iron-based chromophore, [(Cpy) 2 Fe- (deeb)](PF 6 ) 2 (Fe(Cpy) 2 (deeb)), where Cpy is 1-methyl-3-(2-pyridyl)imidazole and deeb is 4,4’-(CO 2 CH 2 CH 3 ) 2 -2,2’-bipyridine, is reported. Electrochemically reversible waves assigned to a metal-centered E o (Fe III/II ) = +0.48 and a ligand-centered E o (Fe 2+/+ ) = −1.47 V vs Fc +/0 reduction were evident in cyclic voltammetry measurements. The combination of a strong σ-donor and a π-acceptor lowered the energy of the metal-toligand charge-transfer (MLCT) excited state relative to the metal-centered state. Two MLCT transitions appear in the visible region at 424 and 580 nm. TDDFT calculations revealed that the lower-energy band was well formulated as Fe(II)→deeb, and the higher-energy transition was charge transfer to both the deeb and Cpy ligands. Resonance Raman spectroscopy supports these findings showing enhanced deeb vibrational modes with 532 nm excitation, both deeb and Cpy modes with 473 nm excitation, and exclusively Cpy with 405 nm excitation. Ultrafast spectroscopy reveals a short-lived (∼2 ps) MLCT excited state and a longer-lived (∼20 ps) metal-centered state. Efficient methods to deprotect the ester groups and anchor the complex to mesoporous TiO 2 (anatase) thin films in high surface coverages, Fe(Cpy) 2 (dcb)|TiO 2 σ = 3 × 10 −8 mol/cm 2 , were established. Pulsed light excitation of Fe(Cpy) 2 (dcb)|TiO 2 resulted in rapid excited state injection (k inj > 10 8 s −1 ) and formation of a charge-separated state, Fe III (Cpy) 2 (dcb)|TiO 2 (e), which persists on the millisecond time scale before returning cleanly to the ground state with secondorder kinetics. Injection yields measured 50 ns after light excitation were found to double from Φ = 0.15 with green (532 nm) light to 0.30 with blue (457 nm) light excitation. Incident photon-to-current efficiency (% IPCE) measurements as a function of excitation wavelength in a 0.5 M LiI/I 2 /CH 3 CN electrolyte provide clear evidence for band-selective “hot carrier” injection from the remote Cpy-localized excited state. Collectively, the spectroscopic and photoelectrochemical data indicate that a semiconductor can intercept hot electrons from iron chromophores even when the excited-state dipole is oriented away from the surface-anchoring ligand.

Charge transfer↗

DOE OSTI2025

Experimental and theoretical evidence of universality in superfluid vortex reconnections

The minimum separation between reconnecting vortices in fluids and superfluids obeys a universal scaling law with respect to time. The prereconnection and the postreconnection prefactors of this scaling law are different, a property related to irreversibility and to energy transfer and dissipation mechanisms. In the present work, we determine the temperature dependence of these prefactors in superfluid helium from experiments and a numeric model which fully accounts for the coupled dynamics of the superfluid vortex lines and the thermal normal fluid component. At all temperatures, we observe a pre- and postreconnection asymmetry similar to that observed in other superfluids and in classical viscous fluids, indicating that vortex reconnections display a universal behavior independent of the small-scale regularizing dynamics. We also numerically show that each vortex reconnection event represents a sudden injection of energy in the normal fluid. Finally we argue that in a turbulent flow, these punctuated energy injections can sustain the normal fluid in a perturbed state, provided that the density of superfluid vortices is large enough.

Reconnections↗