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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 NTRS1977

Fundamental electronic mechanisms limiting the performance of solar cells

Attention is focused on distortion in the energy band, and carrier recombination and generation rates (lifetimes), as the two dominant mechanisms. Spatial dependences associated with these two mechanisms, in the direction normal to the surface illuminated by the sun and in the direction tangential to that surface, are also emphasized as crucial factors in governing the efficiency of solar cells. Electronic parameters for the set of differential equations characterizing transport, recombination, and generation of carriers, and interband and band-bound transition rates, are studied.

Lindholm, F. A.↗

DOE OSTI2021

Atomic Structure Evolution of Pt–Co Binary Catalysts: Single Metal Sites versus Intermetallic Nanocrystals

Due to their exceptional catalytic properties for the oxygen reduction reaction (ORR) and other crucial electrochemical reactions, PtCo intermetallic nanoparticle (NP) and single atomic (SA) Pt metal site catalysts have received considerable attention. However, their formation mechanisms at the atomic level during high-temperature annealing processes remain elusive. Furthermore, the thermally driven structure evolution of Pt–Co binary catalyst systems is investigated using advanced in situ electron microscopy, including PtCo intermetallic alloys and single Pt/Co metal sites. The pre-doping of CoN 4 sites in carbon supports and the initial Pt NP sizes play essential roles in forming either Pt 3 Co intermetallics or single Pt/Co metal sites. Importantly, the initial Pt NP loadings against the carbon support are critical to whether alloying to L1 2 -ordered Pt 3 Co NPs or atomizing to SA Pt sites at high temperatures. High Pt NP loadings (e.g., 20%) tend to lead to the formation of highly ordered Pt 3 Co intermetallic NPs with excellent activity and enhanced stability toward the ORR. In contrast, at a relatively low Pt loading (<6 wt%), the formation of single Pt sites in the form of PtC 3 N is thermodynamically favorable, in which a synergy between the PtC 3 N and the CoN 4 sites could enhance the catalytic activity for the ORR, but showing insufficient stability.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Multi-Step Crystallization of Self-Organized Spiral Eutectics

A method for the solidification of metallic alloys involving spiral self-organization is presented as a new strategy for producing large-area chiral patterns with emergent structural and optical properties, with attention to the underlying mechanism and dynamics. This study reports the discovery of a new growth mode for metastable, two-phase spiral patterns from a liquid metal. Crystallization proceeds via a non-classical, two-step pathway consisting of the initial formation of a polytetrahedral seed crystal, followed by ordering of two solid phases that nucleate heterogeneously on the seed and grow in a strongly coupled fashion. Crystallographic defects within the seed provide a template for spiral self-organization. These observations demonstrate the ubiquity of defect-mediated growth in multi-phase materials and establish a pathway toward bottom-up synthesis of chiral materials with an inter-phase spacing comparable to the wavelength of infrared light. Given that liquids often possess polytetrahedral short-range order, our results are applicable to many systems undergoing multi-step crystallization.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Emergence of deep eutectic solvents (DES): chemistry, preparation, properties, and applications in biorefineries and critical materials

The emergence of renewable deep eutectic solvents (DES) as clean and efficient catalysts and solvents has created new opportunities for lignocellulosic biorefineries and critical material sectors, including chemical, energy, pharmaceutical, textile, and hydrometallurgical industries. This review provides an in-depth overview of DES, covering their chemistry, classifications, preparation methods, processing characteristics, and recyclability, while highlighting their unique attributes and industry relevant applications. Emphasis is placed on the integration of DES into advanced biorefinery systems, focusing on their tunable physicochemical and thermodynamic properties for biomass pretreatment and the production of value-added products. The review explores how DES can be tuned for selective dissolution of biomass components and evaluates production and valorization of DES-derived biochemicals, with attention to lignin extraction mechanisms and conversion of biomass into bioproducts and biofuels. Beyond biorefineries, the scope extends to DES applications in electrochemical energy devices, where they serve as electrolytes, synthesis media for electrode materials, and leaching agents in battery recycling. The multifunctional roles of DES in pharmaceutical, hydrometallurgical, and textile sectors are also explored for contributions to sustainable processing. Finally, the review identifies future research directions, outlining benefits, challenges, and knowledge gaps, for continued industrial development.

09 BIOMASS FUELS↗

DOE OSTI2025

Adaptive stretching of representations across brain regions and deep learning model layers

Prefrontal cortex (PFC) is known to modulate the visual system to favor goal-relevant information by accentuating task-relevant stimulus dimensions. Does the brain broadly re-configures itself to optimize performance by stretching visual representations along task-relevant dimensions? We considered a task that required monkeys to selectively attend on a trial-by-trial basis to one of two dimensions (color or motion direction) to make a decision. Although effects were most prominent in frontal areas, representations stretched along task-relevant dimensions in all sites considered: V4, MT, lateral PFC, frontal eye fields (FEF), lateral intraparietal cortex (LIP), and inferotemporal cortex (IT). Spike timing was crucial to this code. A deep learning model was trained on the same visual input and rewards as the monkeys. Despite lacking an explicit selective attention or other control mechanism, by minimizing error during learning, the model’s representations stretched along task-relevant dimensions, indicating that stretching is an adaptive strategy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Mass-selected ion–molecule cluster beam apparatus for ultrafast photofragmentation studies

We describe an apparatus for investigating the excited-state dissociation dynamics of mass-selected ion–molecule clusters by mass-resolving and detecting photofragment-ions and neutrals, in coincidence, using an ultrafast laser operating at high repetition rates. The apparatus comprises a source that generates ion–molecule clusters, a time-of-flight spectrometer, and a mass filter that selects the desired anions, and a linear-plus-quadratic reflectron mass spectrometer that discriminates the fragment anions after the femtosecond laser excites the clusters. The fragment neutrals and anions are then captured by two channeltron detectors. The apparatus performance is tested by measuring the photofragments: I – , CF 3 I – , and neutrals from photoexcitation of the ion–molecule cluster CF 3 I·I – using femtosecond UV laser pulses with a wavelength of 266 nm. Here, the experimental results are compared with our ground state and excited state electronic structure calculations as well as the existing results and calculations, with particular attention to the generation mechanism of the anion fragments and dissociation channels of the ion–molecule cluster CF 3 I·I – in the charge-transfer excited state.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Graph neural network for neutrino physics event reconstruction

Liquid argon time projection chamber (LArTPC) detector technology offers a wealth of high-resolution information on particle interactions, and leveraging that information to its full potential requires sophisticated automated reconstruction techniques. Here, this article describes NUGRAPH 2, a graph neural network for low-level reconstruction of simulated neutrino interactions in a LArTPC detector. Simulated neutrino interactions in the MicroBooNE detector geometry are described as heterogeneous graphs, with energy depositions on each detector plane forming nodes on planar subgraphs. The network utilizes a multihead attention message-passing mechanism to perform background filtering and semantic labeling on these graph nodes, identifying those associated with the primary physics interaction with 98.0% efficiency and labeling them according to particle type with 94.9% efficiency. The network operates directly on detector observables across multiple two-dimensional representations but utilizes a three-dimensional-context-aware mechanism to encourage consistency between these representations. Model inference takes 0.12 s / event on a CPU and 0.005 s / event batched on a GPU. This architecture is designed to be a general-purpose solution for particle reconstruction in neutrino physics, with the potential for deployment across a broad range of detector technologies, and offers a core convolution engine that can be leveraged for a variety of tasks beyond the two described in this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Isogeometric large-eddy simulations of turbulent particle-laden flows

In recent years, isogeometric analysis (IGA) has attracted significant attention from the computational mechanics community due to its ability to integrate design and analysis. Besides, IGA is also a higher-order discretization technique for solving partial differential equations, showing high approximation capability per degree of freedom. In this paper, we extend the application realm of IGA to particle-laden flows based on Eulerian–Eulerian description that couples Navier–Stokes equations with a density transport equation through a Boussinesq approximation. The coupled systems are solved by using quadratic non-uniform rational B-spline (NURBS) functions and a recently developed residual-based variational multiscale (VMS) formulation, which introduces coupling between the fine velocity scales and density equation residuals. We deploy the proposed approach to perform large-eddy simulations (LES) of dilute particle-laden flows over a flat surface at Reynolds number = 10,000. We compare the simulation results against direct numerical simulation (DNS) results from the literature. We find that combining VMS and IGA, the proposed approach enables accurate prediction of a wide range of flow/particle statistics with a relatively lower mesh resolution.

Mathematics↗

NASA NTRS1971

Supernova explosions.

The recent history of theoretical investigations of the supernova mechanism is considered, giving attention also to a number of nuclear physical problems which have yet to be solved in connection with the thermonuclear detonation. A variety of different processes of nucleo-synthesis are expected to occur in association with the supernova explosions. Aspects of the chemical evolution of the galaxy are discussed including the cosmic ray production of lithium, beryllium, and boron in the interstellar medium. Various hypotheses to account for the very large amount of light that comes from a supernova explosion are also examined.

Cameron, A. G. W.↗

NASA NTRS1972

Earth's magnetospheric processes; Proceedings of the Symposium, Cortina, Italy, August 30-September 10, 1971.

New data obtained by satellites, rockets, aircraft, and ground-based observations are interpreted in papers dealing with the magnetospheric structure and processes, particle distributions, magnetic and electric fields, plasma convection, particle acceleration and diffusion mechanisms, and substorm phenomena. Attention is given to particle populations in different magnetospheric regions, auroral particle precipitation patterns, effects of electric fields on plasma convection, VLF phenomena, a high-energy proton model for the inner radiation belt, substorm behavior of plasma sheet particles, and interpretations of magnetic field variations during substorms. Individual items are announced in this issue.

Mccormac, B. M.↗

NASA NTRS1973

CdS-metal contact at higher current densities.

An investigation is conducted concerning the mechanisms by which a steady flow of current proceeds through the contact when an external voltage is applied. The main characteristics of current mechanisms are examined, giving attention to photoemission from the cathode, thermionic emission, minority-carrier extraction, and the tunneling of electrons. A high-field domain analysis is conducted together with experimental studies. Particular attention is given to the range in which tunneling predominates.

Stirn, R. J.↗

NASA NTRS1974

Model calculations for diffuse molecular clouds

A steady state isobaric cloud model is developed. The pressure, thermal, electrical, and chemical balance equations are solved simultaneously with a simple one dimensional approximation to the equation of radiative transfer appropriate to diffuse clouds. Cooling is mainly by CII fine structure transitions, and a variety of heating mechanisms are considered. Particular attention is given to the abundance variation of H2. Inhomogeneous density distributions are obtained because of the attenuation of the interstellar UV field and the conversion from atomic to molecular hyrodgen. The effects of changing the model parameters are described and the applicability of the model to OAO-3 observations is discussed. Good qualitative agreement with the fractional H2 abundance determinations has been obtained. The observed kinetic temperatures near 80 K can also be achieved by grain photoelectron heating. The problem of the electron density is solved taking special account of the various hydrogen ions as well as heavier ones.

Glassgold, A. E.↗

NASA NTRS1977

Focus drive mechanism for the IUE scientific instrument

A compact, lightweight mechanism was developed for in-orbit adjustment of the position of the secondary mirror (focusing) of the International Ultraviolet Explorer telescope. This device is a linear drive with small and highly repeatable step increments. Extremely close tolerances are also held in tilt and decentering. The unique mechanization is described with attention to the design details that contribute to positional accuracy. Lubrication, materials, thermal considerations, sealing, detenting against launch loads, and other features peculiar to flight hardware are discussed. The methods employed for mounting the low expansion quartz mirror with minimum distortion are also given. Results of qualification and acceptance testing, are included.

Devine, E. J.↗

NASA NTRS1977

International Sun-Earth Explorer - A three-spacecraft program

The International Sun-Earth Explorer (ISEE) is a three-spacecraft system developed by NASA and ESA to study the magnetospheric structure, paying attention to the quantitative mechanism of magnetospheric response to external perturbations, and the structure of its parts. In particular, the nature, structure, motion, and stability of magnetospheric boundaries will be studied, including bow shock, magnetopause, plasmapause, and neutral sheet. Spacecraft ISEE-A and ISEE-B will be launched into the same orbit (of apogee 23 earth radii) but separated by a small, controllable distance, and will make observations from within the magnetosphere. The ISEE-C spacecraft will be launched into a heliocentric orbit (234 earth radii upstream) and will make observations in the solar wind upstream of the earth.

Ogilvie, K. W.↗

NASA NTRS1977

The promise of eutectics for aircraft turbines

Gas turbine blades and vanes for the 1980s call for new materials with higher operational temperature capabilities. The potential increase of from 40 to 110 C in operational temperature capabilities predicted for directionally solidified eutectics is a larger increment over currently available alloys than previously obtained in any new turbine blade alloy. The paper discusses the properties of gamma/gamma prime-delta and NiTaC-13 directionally solidified first-generation eutectics for use as gas turbine blade materials. A few of the more promising second-generation eutectics for blade applications (gamma/gamma prime-alpha, NiTaC 3-116A) and for vane applications (gamma-beta, COTAC 74) are also discussed. Attention is given to mechanical properties, such as transverse ductility and shear strength, that can be inherently critical in a directionally solidified eutectic. Further R&D requirements for properties, coatings, and lower cost processing technology are identified.

Gray, H. R.↗

NASA NTRS1977

Focus drive mechanism for the IUE scientific instrument

A compact, lightweight mechanism was developed for in-orbit adjustment of the position of the secondary mirror (focusing) of the International Ultraviolet Explored telescope. This device is a linear drive with small (.0004 in.) and highly repeatable step increments. Extremely close tolerances are also held in tilt and decentering. The unique mechanization is described with attention to the design details that contribute to positional accuracy. Lubrication, materials, thermal considerations, sealing, detenting against launch loads, and other features peculiar to flight hardware are discussed. The methods employed for mounting the low expansion quartz mirror with minimum distortion are also given.

Devine, E. J.↗

NASA NTRS1979

The JPL orbit determination software system

The Jet Propulsion Laboratory (JPL) orbit determination software system is described. Consisting of a set of computer programs, this system has been developed at JPL for the primary purpose of determining the flight path of deep-space mission spacecraft in NASA's planetary program. Secondary uses include science studies in celestial mechanics and extraterrestrial atmospherics. Attention is given to such features as the capability for processing 30 data types from up to 15 tracking stations, and for precise navigation to natural satellites of outer planets. In addition, the system contains models for such conditions as mascons, atmospheric drag, attitude control, and finite motor burns, to provide for extensive solve-on capabilities.

Ekelund, J. E.↗

NASA NTRS1980

Electric propulsion comes of age

The article examines several aspects of electric propulsion. It is shown that because the process and rate of energy transfer in electric systems are quite different from those of chemical propulsion systems, performance and orbit mechanics are intimately related. Attention is given to the several discrete subelements of an electric primary propulsion system, showing that while they have straightforward operating principles, they present challenges in implementation as working hardware. Finally, discussion covers applications which include a range of interplanetary and near-earth missions.

Kisko, W. A.↗