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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Massive soliton stars

The structure of nontopological solutions of Einstein field equations as proposed by Friedberg, Lee, and Pang (1987) is examined. This analysis incorporates finite temperature effects and pair creation. Quarks are assumed to be the only species that exist in interior of soliton stars. The possibility of primordial creation of soliton stars in the incomplete decay of the degenerate vacuum in early universe is explored. Because of dominance of pair creation inside soliton stars, the luminosity of soliton stars is not determined by its radiative transfer characteristics, and the surface temperature of soliton stars can be the same as its interior temperature. It is possible that soliton stars are intense X-ray radiators at large distances. Soliton stars are nearly 100 percent efficient energy converters, converting the rest energy of baryons entering the interior into radiation. It is possible that a sizable number of baryons may also be trapped inside soliton stars during early epochs of the universe. In addition, if soliton stars exist they could assume the role played by massive black holes in galactic centers.

Chiu, Hong-Yee↗
DOE OSTI2020

Hole-Trapping-Induced Stabilization of Ni 4+ in SrNiO 3 /LaFeO 3 Superlattices

Creating new functionality in materials containing transition metals is predicated on our ability to control the associated charge states. For a given metal, forming lower oxidation states is typically easier than generating higher values, and there is an upper limit on valence that is not exceeded under normal conditions. Here we demonstrate that we can exceed the normal upper limit of 3+ for Ni and Fe via synthesis of (SrNiO 3 )m/(LaFeO 3 )n superlattices by tuning n and m. The Goldschmidt tolerance constraints are lifted and SrNi 4+ O 3 with holes on adjacent O anions can be stabilized as a perovskite at the single unit cell level (m = 1). Spectroscopy reveals that the n = 1 superlattice contains Ni 3+ and Fe 4+ , whereas Ni 4+ and Fe 3+ are observed in the n = 5 superlattice. Here, our results show that the B-site cation valences can be tuned by controlling the magnitude of the FeO6 octahedral rotations which in turn drive the energy balance between Ni 3+ /Fe 4+ and Ni 4+ /Fe 3+ , thus controlling emergent electrical properties such as the band alignment and resulting hole confinement. We suggest that this approach may be generally useful for synthesizing novel, metastable layered structures with new functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dynamics of self-hybridized exciton–polaritons in 2D halide perovskites

Abstract Excitons, bound electron–hole pairs, in two-dimensional hybrid organic inorganic perovskites (2D HOIPs) are capable of forming hybrid light-matter states known as exciton-polaritons (E–Ps) when the excitonic medium is confined in an optical cavity. In the case of 2D HOIPs, they can self-hybridize into E–Ps at specific thicknesses of the HOIP crystals that form a resonant optical cavity with the excitons. However, the fundamental properties of these self-hybridized E–Ps in 2D HOIPs, including their role in ultrafast energy and/or charge transfer at interfaces, remain unclear. Here, we demonstrate that >0.5 µm thick 2D HOIP crystals on Au substrates are capable of supporting multiple-orders of self-hybridized E–P modes. These E–Ps have high Q factors (>100) and modulate the optical dispersion for the crystal to enhance sub-gap absorption and emission. Through varying excitation energy and ultrafast measurements, we also confirm energy transfer from higher energy E–Ps to lower energy E–Ps. Finally, we also demonstrate that E–Ps are capable of charge transport and transfer at interfaces. Our findings provide new insights into charge and energy transfer in E–Ps opening new opportunities towards their manipulation for polaritonic devices.

42 ENGINEERING↗
DOE OSTI2023

Modeling the Charge and Exciton Distributions in Phosphorescent White Organic Light-Emitting Diodes

A comprehensive numerical model is developed to quantitatively analyze the charge and exciton distributions in phosphorescent white organic light emitting diodes (WOLEDs). The model encompasses bipolar charge drift-diffusion transport with doping-dependent charge mobilities, field-dependent charge hopping across multiple interfaces, exciton generation, diffusion, energy transfer, radiative decay, and non-radiative exciton annihilation. The model is validated by direct measurement of the exciton distribution in monochromatic phosphorescent OLEDs. It is then applied to complex, multilayer WOLEDs where it is used to accurately predict their intensity and current-dependent spectral shifts. The magnitudes of different exciton loss channels in WOLEDs are calculated and quantitatively compared. This model provides an alternative for the many experimental iterations commonly used to optimize the color balance of complex OLEDs. In this context, the model inspired the addition of a hole blocking layer in the WOLED to balance the charge conduction and reduce spectral shifts – a design that is verified by experiment.

42 ENGINEERING↗
DOE OSTI2025

Thermally Stable Ruthenium Contact for Robust p‑Type Tellurium Transistors

Tellurium (Te) is attractive for p-channel transistors due to its high hole mobility. Despite having a low thermal budget suitable for back-end-of-line (BEOL) monolithic integration, the practical realization of Te transistors is hindered by its thermal stability. In this work, we investigate thermal stability for Te thin films grown via scalable thermal evaporation. Our findings identify ruthenium as a more thermally stable contact for p-type Te transistors, capable of withstanding temperatures up to 250 °C. Ruthenium exhibits significantly lower diffusivity in Te compared to other contact metals commonly used such as nickel and palladium. Using the transfer-length method, we measured a contact resistance of 1.25 kΩ·μm at the ruthenium-tellurium interface. Additionally, the incorporation of high-κ ZrO2 encapsulation not only suppresses the sublimation of the Te channel at elevated temperatures but also serves as the gate dielectric in top-gate devices operating at 1 V, achieving an on/off current ratio of 105.

Rahman, I K M Reaz↗
DOE OSTI2020

Adaptive Hybridizable Discontinuous Galerkin discretization of the Grad–Shafranov equation by extension from polygonal subdomains

In this work, we propose a high-order adaptive numerical solver for the semilinear elliptic boundary value problem modeling magnetic plasma equilibrium in axisymmetric confinement devices. In the fixed boundary case, the equation is posed on curved domains with piecewise smooth curved boundaries that may present corners. The solution method we present is based on the hybridizable discontinuous Galerkin method and sidesteps the need for geometry-conforming triangulations thanks to a transfer technique that allows to approximate the solution using only a polygonal subset as computational domain. Moreover, the solver features automatic mesh refinement driven by a residual-based a posteriori error estimator. As the mesh is locally refined, the computational domain is automatically updated in order to always maintain the distance between the actual boundary and the computational boundary of the order of the local mesh diameter. Numerical evidence is presented of the suitability of the estimator as an approximate error measure for physically relevant equilibria with pressure pedestals, internal transport barriers, and current holes on realistic geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Ultrafast Dynamics of Molecules on Surfaces Studied with Time-Resolved XUV Photoelectron Spectroscopy (Final Report)

In this project we set out to make technical advances in time-resolved photoemission from surfaces and study molecule-surface charge transfer processes. Combining a novel light source developed at Stony Brook with a new type of time-of-flight photoemission electron microscope (TOF k-mic) developed in Mainz, Germany, we achieved the former goal. Our light source, based on cavity-enhanced high harmonic generation at 61 MHz repetition rate, enables ultrafast time-resolved photoemission experiments to be conducted with orders of magnitude higher photocurrents than otherwise possible. Critically, this provides the high dynamic range necessary to study perturbatively excited samples, such that one can study the intrinsic dynamics of electrons and holes as they would occur in a device. Combining our light source with the TOF k-mic, we’ve achieved an overall improvement in data rate of time- and angle-resolved photoemission (tr-ARPES) of approximately four orders of magnitude over the previous state-of-the-art using kHz-repetition rate sources and conventional hemispherical electron analyzers. This new instrument is now being used in experiments on 2D materials and organic semiconductors.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Godiva IV Thermal Neutron Dosimetry Modeling and Variance Reduction

The transfer of the Godiva IV experiment from the Los Alamos Critical Experiments Facility (LACEF) to the National Critical Experiments Research Center (NCERC) introduced a vastly different experiment room return to the neutron flux. The contribution of the background to the burst neutron energy spectrum is significant in the thermal and epithermal neutron energies. Target materials may be placed in various locations in the Godiva room, or outside of the room, for thermal neutron activation. Modeling of this dosimetry problem in Monte Carlo N-Particle (MCNP) presented a novel challenge compared to previous Godiva IV glory hole irradiation simulations. An advanced dosimetry modeling framework for high efficiency calculations in locations far from the Godiva IV fission source was desired. The mesh-based weight windows and point detector advanced variance reduction techniques in MCNP were implemented and tested using adaptations of the critical experiment benchmark model of the Godiva IV problem. The models were validated against measured activations of Nickel, Indium, Scandium, and Cobalt foils at locations 2 meters from the Godiva IV core. Dosimetry measurements were performed in collaboration with Sandia National Laboratory. The weight windows and point detector variance reduction coupled method resulted in the highest problem efficiency.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2000

Numerical Simulation of Non-Rotating and Rotating Coolant Channel Flow Fields

Future generations of ultra high bypass-ratio jet engines will require far higher pressure ratios and operating temperatures than those of current engines. For the foreseeable future, engine materials will not be able to withstand the high temperatures without some form of cooling. In particular the turbine blades, which are under high thermal as well as mechanical loads, must be cooled. Cooling of turbine blades is achieved by bleeding air from the compressor stage of the engine through complicated internal passages in the turbine blades (internal cooling, including jet-impingement cooling) and by bleeding small amounts of air into the boundary layer of the external flow through small discrete holes on the surface of the blade (film cooling and transpiration cooling). The cooling must be done using a minimum amount of air or any increases in efficiency gained through higher operating temperature will be lost due to added load on the compressor stage. Turbine cooling schemes have traditionally been based on extensive empirical data bases, quasi-one-dimensional computational fluid dynamics (CFD) analysis, and trial and error. With improved capabilities of CFD, these traditional methods can be augmented by full three-dimensional simulations of the coolant flow to predict in detail the heat transfer and metal temperatures. Several aspects of turbine coolant flows make such application of CFD difficult, thus a highly effective CFD methodology must be used. First, high resolution of the flow field is required to attain the needed accuracy for heat transfer predictions, making highly efficient flow solvers essential for such computations. Second, the geometries of the flow passages are complicated but must be modeled accurately in order to capture all important details of the flow. This makes grid generation and grid quality important issues. Finally, since coolant flows are turbulent and separated the effects of turbulence must be modeled with a low Reynolds number turbulence model to accurately predict details of heat transfer.

Rigby, David L.↗
DOE OSTI2020

Conditional Generative Adversarial Networks for Solving Heat Transfer Problems

Generative Adversarial Networks (GANs) have been used as a deep learning approach to solving physics and engineering problems. Using deep learning for these problems is attractive in that reasonably accurate models can be inferred from only raw data, eliminating the need to define the exact physical equations governing a problem. We expand on previous work using GANs to generate steady-state solutions to the two-dimensional heat equation. Using a basic conditional GAN (cGAN), we generate accurate solutions for rectangular domains conditioned on four edge boundary conditions (MAE < 0.5%). For finding steady-state solutions over arbitrary two-dimensional domains (not constrained to rectangles), we use a cGAN designed for image-to-image translation. We train this GAN on various types of geometric domains (circles, squares, triangles, shapes with one circular or rectangular hole), achieving accurate results on test data made up of geometries similar to those in training (MAE < 1%). For both of these GANs, we experiment with different loss function terms, showing that a term using the gradients of solution images significantly improves the basic cGAN but not the image-to-image GAN. Lastly, we show that the image-to-image GAN performs poorly when applied to two-dimensional geometries that vary in structure from training data (MAE < 8% for shapes with multiple holes or different shaped holes). This demonstrates the cGAN's lack of generalizability. While the cGAN is an accurate and computationally efficient method when trained and tested on similarly structured data, it is a much less reliable method when applied to data that is slightly different in structure from the training data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Light-Dependent Impedance Spectra and Transient Photoconductivity in a Ruddlesden–Popper 2D Lead–Halide Perovskite Revealed by Electrical Scanned Probe Microscopy and Accompanying Theory

Electric force microscopy was used to record the light-dependent impedance spectrum and the probe transient photoconductivity of a film of butylammonium lead iodide, BA 2 PbI 4 , a 2D Ruddlesden–Popper perovskite semiconductor. The impedance spectrum of BA 2 PbI 4 showed modest changes as the illumination intensity was varied up to 1400 mW cm –2 , in contrast with the comparatively dramatic changes seen for 3D lead–halide perovskites under similar conditions. BA 2 PbI 4 ’s light-induced conductivity had a rise time and decay time of ~100 μs, 10 4 slower than expected from direct electron–hole recombination yet 10 5 faster than the conductivity-recovery times recently observed in 3D lead–halide perovskites and attributed to the relaxation of photogenerated vacancies. What sample properties are probed by electric force microscope measurements remains an open question. A Lagrangian-mechanics treatment of the electric force microscope experiment was recently introduced by Dwyer, Harrell, and Marohn which enabled the calculation of steady-state electric force microscope signals in terms of a complex sample impedance. Here this impedance treatment of the tip–sample interaction is extended, through the introduction of a time-dependent transfer function, to include time-resolved electrical scanned probe measurements. Here, it is shown that the signal in a phase-kick electric force microscope experiment, and therefore also the signal in a time-resolved electrostatic force microscope experiment, can be written explicitly in terms of the sample’s time-dependent resistance (i.e., conductivity).

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

Machine-learning force-field models for dynamical simulations of metallic magnets

We review recent advances in machine-learning (ML) force-field methods for Landau–Lifshitz–Gilbert simulations of itinerant electron magnets, focusing on their scalability and transferability. Built on the principle of locality, a deep neural-network model is developed to efficiently and accurately predict electron-mediated forces governing spin dynamics. Symmetry-aware descriptors constructed through a group-theoretical approach ensure rigorous incorporation of both lattice and spin-rotation symmetries. The framework is demonstrated using the prototypical s-d exchange model widely employed in spintronics. ML-enabled large-scale simulations reveal novel nonequilibrium phenomena, including anomalous coarsening of tetrahedral spin order on the triangular lattice and the freezing of phase-separation dynamics in lightly hole-doped, strong-coupling square-lattice systems. These results establish ML force-field frameworks as scalable, accurate, and versatile tools for modeling nonequilibrium spin dynamics in itinerant magnets.

Artificial neural networks↗
NASA NTRS2002

Freeze-tolerant condenser for a closed-loop heat-transfer system

A freeze tolerant condenser (106) for a two-phase heat transfer system is disclosed. The condenser includes an enclosure (110) and a porous artery (112) located within and extending along the length of the enclosure. A vapor space (116) is defined between the enclosure and the artery, and a liquid space (114) is defined by a central passageway within the artery. The artery includes a plurality of laser-micromachined capillaries (130) extending from the outer surface of the artery to its inner surface such that the vapor space is in fluid communication with the liquid space. In one embodiment of the invention, the capillaries (130) are cylindrical holes having a diameter of no greater than 50 microns. In another embodiment, the capillaries (130') are slots having widths of no greater than 50 microns. A method of making an artery in accordance with the present invention is also disclosed. The method includes providing a solid-walled tube and laser-micromachining a plurality of capillaries into the tube along a longitudinal axis, wherein each capillary has at least one cross-sectional dimension transverse to the longitudinal axis of less than 50 microns.

Crowley, Christopher J.↗
NASA NTRS1984

On the origin of X-ray variability of SS 433

The X-ray flares observed from the central source in SS 433 by the Einstein telescope are attributed to surges in the mass transfer rate due to changes in the critical Roche volume of the companion. Analysis of the Roche potential for a primary with spin misaligned with the orbital axis, as required by the slaved disk model, predicts that the critical Roche volume will contract twice per orbit if the orbit is circular. A critical Roche volume fractional change of 1-2 percent is found by applying this potential to SS 433. The nutation of the companion should not affect the steady precession of its spin. Aspects of this work strengthen the evidence that the compact object might be a black hole.

Band, D. L.↗
NASA NTRS1989

M.I.N.G., Mars Investment for a New Generation: Robotic construction of a permanently manned Mars base

A basic procedure for robotically constructing a manned Mars base is outlined. The research procedure was divided into three areas: environment, robotics, and habitat. The base as designed will consist of these components: two power plants, communication facilities, a habitat complex, and a hangar, a garage, recreation and manufacturing facilities. The power plants will be self-contained nuclear fission reactors placed approx. 1 km from the base for safety considerations. The base communication system will use a combination of orbiting satellites and surface relay stations. This system is necessary for robotic contact with Phobos and any future communication requirements. The habitat complex will consist of six self-contained modules: core, biosphere, science, living quarters, galley/storage, and a sick bay which will be brought from Phobos. The complex will be set into an excavated hole and covered with approximately 0.5 m of sandbags to provide radiation protection for the astronauts. The recreation, hangar, garage, and manufacturing facilities will each be transformed from the four one-way landers. The complete complex will be built by autonomous, artificially intelligent robots. Robots incorporated into the design are as follows: Large Modular Construction Robots with detachable arms capable of large scale construction activities; Small Maneuverable Robotic Servicers capable of performing delicate tasks normally requiring a suited astronaut; and a trailer vehicle with modular type attachments to complete specific tasks; and finally, Mobile Autonomous Rechargeable Transporters capable of transferring air and water from the manufacturing facility to the habitat complex.

Amos, Jeff↗
DOE OSTI2021

The electron-transfer intermediates of the oxygen evolution reaction (OER) as polarons by in situ spectroscopy

The conversion of diffusive forms of energy (electrical and light) into short, compact chemical bonds by catalytic reactions regularly involves moving a carrier from an environment that favors delocalization to one that favors localization. While delocalization lowers the energy of the carrier through its kinetic energy, localization creates a polarization around the carrier that traps it in a potential energy minimum. The trapped carrier and its local distortion—termed a polaron in solids—can play a role as a highly reactive intermediate within energy-storing catalytic reactions but is rarely discussed as such. Here, we present this perspective of the polaron as a catalytic intermediate through recent in situ and time-resolved spectroscopic investigations of photo-triggered electrochemical reactions at material surfaces. The focus is on hole-trapping at metal–oxygen bonds, denoted M–OH*, in the context of the oxygen evolution reaction (OER) from water. The potential energy surface for the hole-polaron defines the structural distortions from the periodic lattice and the resulting “active” site of catalysis. This perspective will highlight how current and future time-resolved, multi-modal probes can use spectroscopic signatures of M–OH* polarons to obtain kinetic and structural information on the individual reaction steps of OER. A particular motivation is to provide the background needed for eventually relating this information to relevant catalytic descriptors by free energies. Lastly, the formation of the O–O chemical bond from the consumption of M–OH*, required to release O 2 and store energy in H 2 , will be discussed as the next target for experimental investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Doping evolution of the Mott–Hubbard landscape in infinite-layer nickelates

The recent observation of superconductivity in N d 0.8 S r 0.2 N i O 2 has raised fundamental questions about the hierarchy of the underlying electronic structure. Calculations suggest that this system falls in the Mott–Hubbard regime, rather than the charge-transfer configuration of other nickel oxides and the superconducting cuprates. Here, we use state-of-the-art, locally resolved electron energy-loss spectroscopy to directly probe the Mott–Hubbard character of N d 1 − x S r x N i O 2 . Upon doping, we observe emergent hybridization reminiscent of the Zhang–Rice singlet via the oxygen-projected states, modification of the Nd 5d states, and the systematic evolution of Ni 3d hybridization and filling. These experimental data provide direct evidence for the multiband electronic structure of the superconducting infinite-layer nickelates, particularly via the effects of hole doping on not only the oxygen but also nickel and rare-earth bands.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Constraints on dark matter from dynamical heating of stars in ultrafaint dwarfs. I. MACHOs and primordial black holes

We place limits on dark matter made up of compact objects significantly heavier than a solar mass, such as MACHOs or primordial black holes (PBHs). In galaxies, the gas of such objects is generally hotter than the gas of stars and will thus heat the gas of stars even through purely gravitational interactions. Ultrafaint dwarf galaxies (UFDs) maximize this effect. Observations of the half-light radius in UFDs thus place limits on MACHO dark matter. We build upon previous constraints with an improved heating rate calculation including both direct and tidal heating, and consideration of the heavier mass range above 10 4 M ⊙ . Additionally we find that MACHOs may lose energy and migrate in to the center of the UFD, increasing the heat transfer to the stars. UFDs can constrain MACHO dark matter with masses between about 10 M ⊙ and 10 8 M ⊙ and these are the strongest constraints over most of this range. Published by the American Physical Society 2024

Graham, Peter W. (ORCID:0000000216001601)↗