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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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372 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Adsorption, charge transfer and a coverage-driven transition of alkali metals on rutile TiO 2 (110)

The interaction of alkali metals with metal oxide surfaces is central to tuning surface reactivity in heterogeneous catalysis and photocatalysis. Here we present a comprehensive DFT+U study of the adsorption of alkali metals (Li, Na, K, Rb, Cs) on the (110) surface of rutile TiO 2 . At low coverage (θ = 1/8), all alkali metals bind preferentially to bridging oxygen sites with adsorption energies in the range −4.06 to −3.33 eV, transferring nearly one full electron (0.92–0.99 |e|) to the substrate and inducing Ti 4+ → Ti 3+ reduction. The excess charge localizes preferentially at subsurface Ti sites in the form of small polarons. Diffusion barriers indicate facile motion along bridging-oxygen rows, whereas inter-row hopping is strongly hindered. Coverage effects were examined systematically for potassium: adsorption energy and charge transfer per K atom decrease monotonically with increasing θ. Strikingly, a sharp energy discontinuity occurs between θ = 4/8 and θ = 5/8 (ΔE ≈ 1 eV per atom), which we identify as a coverage-driven structural transition arising from steric packing constraints and enhanced K–K electrostatic repulsion once every (1×1) surface cell is occupied. This structural transition perfectly correlates with a dramatic drop in the work function down to an ultra-low minimum of 0.84 eV at θ=5/8, followed by a metallization- driven recovery at higher coverages. Ab initio molecular dynamics simulations confirm zigzag K arrangements at moderate coverage (θ = 1/3), while at high coverage (θ = 2/3) short-range K–K correlations emerge without long-range order. These results provide atomistic insight into the structure–activity relationships underlying alkali promotion effects on oxide-supported catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Terahertz‐Nanoscale Visualization of the Microscopic Spin‐Charge Architecture of Colossal Magnetoresistive Switching

Resolving sub-10 nm spin switching and the associated terahertz (THz) electrodynamics during the colossal magnetoresistance (CMR) transition is a definitive frontier in reaching the fundamental spatial, temporal, and energy-dissipation limits of spin-electronics. Yet, simultaneous control of high magnetic field, cryogenic environment, and nanometer resolution has remained an elusive benchmark for THz nanoscopy, leaving the local THz dynamics of these transitions largely unexplored. Here, we overcome these limitations by utilizing a custom-built cryogenic magneto-THz scattering-type scanning near-field optical microscopy (cm-THz-sSNOM) to resolve the near-field THz spectroscopic evolution of the magnetic field-driven CMR transition in a manganite single crystal. Our measurements provide a nanoscale visualization of the THz conductivity, capturing the moment that magnetic-field-induced spin switching triggers the transition from an antiferromagnetic insulator to a ferromagnetic metal. An ellipsoidal near-field model reveals a multi-scale transition initiated by 1–2 nm isolated spin-flip sites at low magnetic fields, which coalesce into ∼15 nm conducting regions as the threshold field is approached. These results provide an nano-THz view of CMR switching, establishing an analysis framework for mapping spin–charge–lattice–orbit–coupled dynamics at spatial scales that transcend the nominal sSNOM resolution.

Haeuser, Samuel [Iowa State University, Ames, IA (↗
NASA NTRS1982

Synthetic battery cycling techniques

Synthetic battery cycling makes use of the fast growing capability of computer graphics to illustrate some of the basic characteristics of operation of individual electrodes within an operating electrochemical cell. It can also simulate the operation of an entire string of cells that are used as the energy storage subsystem of a power system. The group of techniques that as a class have been referred to as Synthetic Battery Cycling is developed in part to try to bridge the gap of understanding that exists between single cell characteristics and battery system behavior.

Leibecki, H. F.↗
DOE OSTI2026

Mechanical, Electrochemical & Thermal Modeling of Electric Vehicle Batteries for Crash Simulation (CRADA CRD-19-00811 Final Report)

Under the proposed effort in partnership with Hyundai Motor Company (HMC), the National Laboratory of the Rockies (NLR) will cooperate with HMC to develop mathematical models for battery cells and modules for simulating abuse response in batteries subject to the type of mechanical crushing that can occur in a full motor vehicle crash.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRSDate not supplied

Quantifying Primary Arc-Induced Degradation of Perovskite Solar Cells

Primary arcing induced by spacecraft charging presents a significant hazard to thin film solar cells if left unchecked. Here, we present the results of a preliminary effort to quantify the impacts of primary arcing to perovskite solar cells. Solar cells operating in a charged environment are susceptible to electrostatic discharges known as arcing. While primary arcs are not generally considered a major concern for traditional space PV, for thin film cells, these can induce significant heating and subsequent damage. We conducted ESD testing in a LEO-like plasma in the National Plasma Interaction Facility at NASA Glenn Research Center to quantify impacts to cell performance by arcing. The perovskites tested saw a decrease of short circuit current with an increased number of arcs, averaging a relative change of 73.89 ± 15.90% after 60 total arcs supplied a cumulative energy dose of 76.12 mJ to the string. Ongoing work entails testing with larger perovskite data sets and expanding to include additional thin film cell technologies to demonstrate the risk unmitigated primary arcing presents.

primary arcing↗
DOE OSTI2026

Ferroelectric Fractals: Switching Mechanism of Wurtzite AlN

The advent of wurtzite ferroelectrics is enabling new ferroelectric devices for computer memory that have the potential to bypass the von Neumann bottleneck due to their robust polarization and silicon compatibility. However, the atomistic switching mechanism of wurtzites is still undetermined due to the limitations of density functional theory simulation size and experimental temporal and spatial resolution. Thus, physics-informed materials engineering to reduce coercive field and breakdown in these devices has been limited. In this work, the atomistic mechanism of domain wall migration and domain growth in aluminum nitride-based wurtzites is uncovered using molecular dynamics and Monte Carlo simulations. We reveal the anomalous switching mechanism of fast 1D single columns of atoms propagating from a slow-moving 2D fractallike domain wall. We find that the critical nucleus is a single aluminum ion that breaks its bond with one nitrogen and bonds to another nitrogen; this creates a cascade that flips atoms directly only in the same column, due to the extreme locality (sharpness) of the domain walls in wurtzites. We further show how the fractallike shape of the domain wall in the 2D plane breaks assumptions in the Kolmogorov, Avrami, and Ishibashi (KAI) model and leads to the anomalously fast switching in wurtzite structured ferroelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Crossover from quantum to classical transport

Understanding the crossover from quantum to classical transport phenomena has become of fundamental importance not only for technological applications due to the creation of sub-10nm transistors – an important building block of our modern life – but also for elucidating the role played by quantum mechanics in the evolutionary fitness of biological complexes. This article provides a basic introduction into the nature of charge and energy transport in the quantum and classical regimes. Here, it will identify the characteristic transport properties in both limits, and demonstrate how they can be connected through the loss of quantum mechanical coherence. I will identify the salient features of the crossover physics, and demonstrate their importance in opening new transport regimes and for understanding efficient and robust energy transport in biological complexes.

charge↗
NASA NTRS1962

Some Experiments on the Passage of High-Energy Protons in Dense Matter

A series of experiments designed to study the nuclear cascade resulting from the passage of 1 to 3 GeV protons in matter has been in progress at the Brookhaven Cosmotron. Preliminary results on the fluxes of fast neutrons (upper limits) and of strongly interacting particles above 50 MeV are summarized here (Fig. 1 and Table 1). The four cases studied are: 1-GeV protons on Fe, on chondritic material, and on C 5 H 8 O 2 , and 3-GeV protons on Fe.

Proton Irradiation↗
NASA NTRS1983

Battery model for electrical power system energy balance

A model to simulate nickel-cadmium battery performance and response in a spacecraft electrical power system energy balance calculation was developed. The voltage of the battery is given as a function of temperature, operating depth-of-charge (DOD), and battery state-of-charge. Also accounted for is charge inefficiency. A battery is modeled by analysis of the results of a multiparameter battery cycling test at various temperatures and DOD's.

Hafen, D. P.↗
DOE OSTI2008

Vehicle Technologies Program: Energy Storage R&D (2008 Annual Progress Report)

One of the primary objectives of the Energy Storage effort is the development of durable and affordable advanced batteries (and ultracapacitors) for use in a full range of vehicle applications, from start/stop to full-power HEVs, EVs, and PHEVs. The battery technology development activity spans three areas: system development of full battery systems; benchmark testing of emerging technologies in order to remain abreast of the latest industry developments; and Small Business Innovative Research (SBIR) to fund early-stage R&D for small businesses/entrepreneurs.

25 ENERGY STORAGE↗
DOE OSTI2026

Emergent surface resonance from charge density wave symmetry breaking in TiSe 2

Surface confined electronic states provide a fertile ground for discovering emergent phenomena that have no counterpart in the bulk, offering new routes to manipulate correlations, symmetry breaking, and dimensionality at the atomic scale. Here, in this study, we show that charge density wave (CDW) symmetry breaking can yield surface states in 1⁢T−TiSe 2 . Micro–angle-resolved photoemission spectroscopy (µ-ARPES) resolves a sharp, two-dimensional surface resonant state (SRS) that emerges within the CDW reconstructed low energy spectrum. The SRS exhibits notable temperature dependence and its spectral weight collapses around ∼ 160 K, while CDW transition temperature 𝑇 CDW is commonly reported as ≈ 202 K. Slab DFT + 𝑈 calculations reproduce a surface localized resonance when CDW folding brings valence and conduction states into near degeneracy, suggesting a correlation tuned, surface selective origin. These results point to a form of correlation-tuned surface resonance in a layered CDW compound and suggest a framework for engineering low-dimensional quantum states in van der Waals materials via symmetry breaking and electronic structure tuning.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Practical Battery Thermal Modeling Techniques

Lithium-ion batteries are thermo-electrochemical devices, whereby nearly every facet of their functionality and performance are thermally driven. As a result, it is important to have thermal modeling techniques that effectively capture the intricacies of both the electrochemical nature of the battery and also the complex thermal network that typically results from the design of the battery thermal management system. Here we present a thermal modeling workflow and a set of general assumptions for how to construct a thermal model of a Li-ion battery pack. We use a 14-cell bank of 18650-format Li-ion cells, loosely based on a proposed alternative battery design for Orion, as the example. Although the workflow is performed with Thermal Desktop and related utilities, the focus of this presentation is less about software specific techniques, but rather is focused on the assumptions and conditions that should be used in a model (regardless of the tool used to build the model). Example cases and results will be presented for charge, discharge, and thermal runaway.

lithium-ion battery↗
NASA NTRS1990

The Hubble Space Telescope nickel-hydrogen battery design

Details are presented of the HST (Hubble Space Telescope) battery cell, battery package, and module mechanical and electrical designs. Also included are a summary of acceptance, qualification, and vibration tests and thermal vacuum testing. Unique details of battery cell charge retention performance characteristics associated with prelaunch hold conditions are discussed. Special charge control methods to minimize thermal dissipation during pad charging operations are summarized. This module design meets all NASA fracture control requirements for manned missions.

Nawrocki, D. E.↗
NASA NTRS2009

Data Base and Guidelines Document Developed for Lithium-Ion Battery

Lithium-Ion (Li-Ion) batteries are fast becoming the battery chemistry of choice for aerospace applications requiring (rechargeable) power supplies. These batteries offer high-energy density and high-specific energy combined with excellent rate capability and cycle potential. The increased energy content and operational characteristics of this system require defined safety and handling procedures to ensure the safe implementation. Standardized approaches to defining, determining, and addressing safety, handling, and qualification for Li-Ion batteries have been developed and published as an NESC-sponsored Li-Ion Battery Guidelines Document. A data base was established cataloging cells and batteries that have been considered for aerospace applications.

Data Base and Guidelines↗
NASA NTRS2012

Analysis of Screen Channel LAD Bubble Point Tests in Liquid Methane at Elevated Temperature

This paper examines the effect of varying the liquid temperature and pressure on the bubble point pressure for screen channel Liquid Acquisition Devices in cryogenic liquid methane using gaseous helium across a wide range of elevated pressures and temperatures. Testing of a 325 x 2300 Dutch Twill screen sample was conducted in the Cryogenic Components Lab 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. Test conditions ranged from 105 to 160K and 0.0965 – 1.78 MPa. Bubble point is shown to be a strong function of the liquid temperature and a weak function of the amount of subcooling at the LAD screen. The model predicts well for saturated liquid but under predicts the subcooled data.

Reaction Control System↗
DOE OSTI2026

Resources for E-Mobility Program Implementation [Slides]

The Energy to Communities (E2C) peer-learning cohort program provides technical assistance to groups of 15 community entities around a common energy topic over the course of 6 months. Every month, participants join a virtual meeting where they hear from experts and exchange strategies and best practices with their peers. This cohort, "Successful Energy Project Implementation" will explore common challenges in implementing energy projects and learn strategies to turn project plans into reality. Each participant will focus on a local energy project or priority as a cornerstone for their learning throughout the series.This presentation overviews the basics of developing electric mobility projects with emphasis on leveraging the right tools to advance technical scoping and program design.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1984

Chemically rechargeable battery

Batteries (50) containing oxidized, discharged metal electrodes such as an iron-air battery are charged by removing and storing electrolyte in a reservoir (98), pumping fluid reductant such as formalin (aqueous formaldehyde) from a storage tank (106) into the battery in contact with the surfaces of the electrodes. After sufficient iron hydroxide has been reduced to iron, the spent reductant is drained, the electrodes rinsed with water from rinse tank (102) and then the electrolyte in the reservoir (106) is returned to the battery. The battery can be slowly electrically charged when in overnight storage but can be quickly charged in about 10 minutes by the chemical procedure of the invention.

Graf, James E.↗