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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Directional detection of dark matter using solid-state quantum sensing

Next-generation dark matter (DM) detectors searching for weakly interacting massive particles (WIMPs) will be sensitive to coherent scattering from solar neutrinos, demanding an efficient background-signal discrimination tool. Directional detectors improve sensitivity to WIMP DM despite the irreducible neutrino background. Wide-bandgap semiconductors offer a path to directional detection in a high-density target material. A detector of this type operates in a hybrid mode. Here, the WIMP or neutrino-induced nuclear recoil is detected using real-time charge, phonon, or photon collection. The directional signal, however, is imprinted as a durable sub-micron damage track in the lattice structure. This directional signal can be read out by a variety of atomic physics techniques, from point defect quantum sensing to x-ray microscopy. In this Review, we present the detector principle as well as the status of the experimental techniques required for directional readout of nuclear recoil tracks. Specifically, we focus on diamond as a target material; it is both a leading platform for emerging quantum technologies and a promising component of next-generation semiconductor electronics. Based on the development and demonstration of directional readout in diamond over the next decade, a future WIMP detector will leverage or motivate advances in multiple disciplines toward precision dark matter and neutrino physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1979

Material science and solid state physics studies with positive muon spin precession

The hyperfine field on the muon, B sub hf, at interstitial sites in dilute Fe(Al) alloys was measured for four different concentrations of Al and as a function of temperature by the muon spin rotation method. The magnitude of B sub hf, which is negative, decreases at rates ranging from 0.09 + or - 0.03% per at.% Al at 200 K to an asymptotic limit of 0.35 + or - far above 440 K. This behavior shows that sites near the Al impurity are weakly repulsive to the muon, with an interaction potential of 13 + or - 3 meV. In order to fit the temperature dependence of the hyperfine field, it is necessary to hypothesize the existence of a small concentration of unidentified defects, possibly dislocations, which are attractive to the muon. Although the Al impurity acts as a non-magnetic hole in the Fe lattice, the observed decrease in B sub hf is only 35% of the decrease in the bulk magnetization. It is concluded that B sub hf is determined mainly by the enhanced screening of conduction electrons in Fe and Fe(Al). Since the influence of the Al impurity on the neighboring Fe monents is very small, most of the change in B sub hf is therefore attributed to the increase in conduction electron polarization of the Al impurity.

Stronach, C. E.↗
DOE OSTI2020

Melting of charge order in the low-temperature state of an electronic ferroelectric-like system

Strong electronic interactions can drive a system into a state with a symmetry breaking. Lattice frustration or competing interactions tend to prevent symmetry breaking, leading to quantum disordered phases. In spin systems frustration can produce a spin liquid state. Frustration of a charge degree of freedom also can result in various exotic states, however, experimental data on these effects is scarce. In this work we demonstrate how in a Mott insulator on a weakly anisotropic triangular lattice a charge ordered state melts on cooling down to low temperatures. Raman scattering spectroscopy finds that κ -(BEDT-TTF) 2 Hg(SCN) 2 Cl enters an insulating “dipole solid” state at T =30K, but below T =15K the order melts, while preserving the insulating energy gap. Based on these observations, we suggest a phase diagram relevant to other quantum paraelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Disorder-Induced Suppression of Superconductivity in Infinite-Layer Nickelates

The pairing symmetry of superconducting infinite-layer nickelates is a fundamental yet experimentally challenging question. We employ high-energy electron irradiation to induce disorder in superconducting Nd 0.825 ⁢Sr 0.175 ⁢NiO 2 thin films, examine the impact of pair-breaking defects on superconductivity, and elucidate the nature of the superconducting gap. Our measurements reveal a complete suppression of superconductivity with increasing disorder, suggesting an unconventional, sign-changing order parameter.

Ranna, Abhishek [Max Planck Society, Dresden (Germ↗
DOE OSTI2025

Electron Inversion and Tunneling at Silicon Thermal Oxide Interfaces for Solar-Driven Molecular Catalysis to Syngas

Semiconductor photoelectrodes are regularly coupled to solid-state heterogeneous catalysts to perform solar-driven reduction of CO 2 . Less frequently, molecular catalysts are employed to better control the reactivity toward desired products, yet the development of robust semiconductor/molecule interfaces has proven challenging. Here, we demonstrate that a 2–3 nm thermal oxide layer on Si exhibits stability in aqueous solution, high photovoltage, and a photocurrent density of ∼10 mA/cm 2 for the solar-driven photoelectrochemical reduction of a homogeneous molecular catalyst, producing syngas with an ∼2:1 H 2 to CO ratio. Because of a low defect density, the oxide interface forms an electron inversion layer with metal-like electron density at cathodic potentials. This inversion layer facilitates electron transfer to redox-active molecules via tunneling even if the molecule’s reduction potential is beyond the semiconductor’s conduction band edge. Using an electrolyte solution composed of a homogeneous cobalt bis(terpyridine) catalyst in a water/organic solvent mixture, stable photoelectrochemistry was observed under 1-sun illumination, exhibiting an ∼30% Faradaic efficiency for CO that was similar to a glassy carbon electrode under comparable conditions. Furthermore, the results demonstrate that an ultrathin thermal oxide interface is a robust platform for development of aqueous-stable, molecule-driven photoelectrocatalysis.

Catalysts↗
NASA NTRS1984

Flight service evaluation of Kevlar-49 epoxy composite panels in wide-bodied commercial transport aircraft

Kevlar-49 fairing panels, installed as flight service components on three L-1011s, were inspected after 10 years of service. There are six Kevlar-49 panels on each aircraft: a left-hand and right-hand set of a wing-body sandwich fairing; a solid laminate under-wing fillet panel; and a 422 K (300 F) service aft engine fairing. The three L-1011s include one each in service with Eastern, Air Canada, and TWA. The fairings have accumulated a total of 79,568 hours, with one ship set having nearly 28,000 hours service. The inspections were conducted at the airlines' major maintenance bases with the participation of Lockheed Engineering. The Kevlar-49 components were found to be performing satisfactorily in service with no major problems, or any condition requiring corrective action. The only defects noted were minor impact damage, a few minor disbonds and a minor degree of fastener hole fraying and elongation. These are for the most part comparable to damage noted on fiberglass fairings. The service history obtained in this program indicates that Kevlar-49 epoxy composite materials have satisfactory service characteristics for use in aircraft secondary structure.

Stone, R. H.↗
DOE OSTI2020

Vacancy and interstitial interactions with crystal/amorphous, metal/covalent interfaces

In this work, we use atomistic simulations to investigate the interaction of vacancies and interstitials with interfaces between a crystalline metal and an amorphous, covalently-bonded solid. We select the gold (Au)/silicon (Si) binary system as a model material and construct interface models along two different facets of crystalline Au and with amorphous Si (a-Si) created at three different quench rates. We compute formation energies of vacancies, self-interstitials, and interstitial impurities as a function of position relative to the interface and find that they have markedly lower values near the interface than in the interior of the adjoining phases. We conclude that crystal/amorphous, metal/covalent interfaces may be as effective at removing radiation-induced point defects as interfaces in polycrystalline metals composites. Moreover, irrespective of interface character, the average formation energies of all point defects at all the Au/a-Si interfaces we investigated are comparable. Thus, unlike in polycrystalline metals, where an interface’s crystallographic character has a marked effect on its interactions with point defects, all interface types in crystal/amorphous, metal/covalent composites may be equally effective at absorbing all radiation-induced defects.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Neuromorphic learning with Mott insulator NiO

Habituation and sensitization (nonassociative learning) are among the most fundamental forms of learning and memory behavior present in organisms that enable adaptation and learning in dynamic environments. Emulating such features of intelligence found in nature in the solid state can serve as inspiration for algorithmic simulations in artificial neural networks and potential use in neuromorphic computing. In this work, we demonstrate nonassociative learning with a prototypical Mott insulator, nickel oxide (NiO), under a variety of external stimuli at and above room temperature. Similar to biological species such as Aplysia, habituation and sensitization of NiO possess time-dependent plasticity relying on both strength and time interval between stimuli. A combination of experimental approaches and first-principles calculations reveals that such learning behavior of NiO results from dynamic modulation of its defect and electronic structure. An artificial neural network model inspired by such nonassociative learning is simulated to show advantages for an unsupervised clustering task in accuracy and reducing catastrophic interference, which could help mitigate the stability–plasticity dilemma. Mott insulators can therefore serve as building blocks to examine learning behavior noted in biology and inspire new learning algorithms for artificial intelligence.

42 ENGINEERING↗
DOE OSTI2021

Combined density functional theory/kinetic Monte Carlo investigation of surface morphology during cycling of Li-Cu electrodes

In this work, we employed a combined density functional theory and kinetic Monte Carlo approach in order to investigate the nanoscale behavior of lithium stripping and plating on lithium-copper nanoalloys. Density functional theory calculations were used to develop an atom-by-atom understanding of the nucleation behavior of lithium on copper surfaces with different surface morphologies. We found that nanometric pits resulted in significantly more favorable lithium deposition when compared to pristine or lightly-defective Cu surfaces, which is in agreement with previous experimental studies. We then used density functional theory and constrained ab initio molecular dynamics to develop interaction and reaction parameters for a larger-scale kinetic Monte Carlo model in order to provide insight into the stripping and plating behavior of nanostructured Li-Cu nanoalloy anodes. Substantial losses in capacity and strong indications of morphological change were observed for a wide range of Cu:Li ratios over 100 cycles. We observed a complex relationship between the nanoparticle composition and the properties of the formed solid-electrolyte interphase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Overview of CFD Analyses Supporting the Reusable Solid Rocket Motor (RSRM) Program at MSFC

During the past year, various computational fluid dynamic (CFD) analyses were performed at Marshall Space Flight Center to support the Reusable Solid Rocket Motor program. The successful completion of these analyses involved application of the CFD codes FDNS and CELMINT. The topics addressed by the analyses were: (1) the design and prediction of slag pool accumulation within the five inch test motor, (2) prediction of slag pool behavior and its response to lateral accelerations, (3) the clogging of potential insulation debonds within the nozzle by slag accumulation, (4) the behavior of jets within small voids inside nozzle joint gaps, (5) The effect of increased inhibitor stiffness on motor acoustics, and (6) the effect of a nozzle defect on particle impingement enhanced erosion. The emphasis of this presentation will be to further discuss the work in topics 3, 4, and 5.

Stewart, Eric↗
NASA NTRS1999

Initial Study of Friction Pull Plug Welding

Pull plug friction welding is a new process being developed to conveniently eliminate defects from welded plate tank structures. The general idea is to drill a hole of precise, optimized dimensions and weld a plug into it, filling the hole perfectly. A conically-shaped plug is rotated at high angular velocity as it is brought into contact with the plate material in the hole. As the plug is pulled into the hole, friction rapidly raises the temperature to the point at which the plate material flows plastically. After a brief heating phase, the plug rotation is terminated. The plug is then pulled upon with a forging force, solidly welding the plug into the hole in the plate. Three aspects of this process were addressed in this study. The transient temperature distribution was analyzed based on slightly idealized boundary conditions for different plug geometries. Variations in hole geometry and ram speed were considered, and a program was created to calculate volumes of displaced material and empty space, as well as many other relevant dimensions. The relation between the axially applied forging force and the actual forging pressure between the plate and plug surfaces was determined for various configurations.

Rich, Brian S.↗
DOE OSTI2024

Aging Mechanisms of Broad Area ~800 nm Laser Diodes

Here, this work presents a comprehensive study of early aging behavior (<500 hr) in ~800 nm, phosphide-based laser diodes grown by solid-source MBE with different oxygen concentration levels incorporated into the diode epitaxial layers during growth. The data indicate that lasing characteristics prior to aging are degraded by oxygen introduction, but the gradual power degradation rate after the onset of aging is not a strong function of oxygen at these concentration levels. Devices with oxygen concentrations of ~2.5 × 10 15 cm -3 showed significantly longer delay before the onset of aging (incubation time) than devices with less than 1 × 10 15 cm -3 oxygen. Generation-Recombination current and Laser Beam Induced Current measurements indicate that defect densities and aggregation are suppressed at the facets by oxygen, which can explain longer incubation times. Diagnostic data and parametric fits to diode simulation models show that increased cavity optical loss and defect density are primarily responsible for gradual power degradation during aging, rather than changes in nonradiative recombination. Mechanisms are proposed that explain this behavior, based on density functional theory (DFT) simulations and known recombination-enhanced defect generation phenomena.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Violation of the Cauchy–Born rule in multi-principal element alloys

Multi-principal element alloys are a novel class of materials that are formed by combining multiple elements in high concentrations and show exceptional properties compared to conventional alloys. These alloys have high configurational entropy due to inherent atomic disorder. The Cauchy–Born rule is a popular homogenization method for linking atomistic to continuum length scales. In this Letter, we use ab initio density functional theory calculations to report that the Cauchy–Born rule, which holds in conventional alloys in the absence of defects, is not valid in multi-principal element alloys. Further, the violation of the Cauchy–Born rule in these alloys is attributed to the presence of atomic disorder due to which the deformations are inhomogeneous. Our results also show the deviations in deformation are related to the magnitude of the stretch and shear by power laws.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Pyrochlore-type lanthanide titanates and zirconates: Synthesis, structural peculiarities, and properties

This contribution provides a thorough examination of the structural characteristics of pyrochlore-type lanthanide titanates and zirconates Ln2Ti2O7 and Ln2Zr2O7, across various length scales. This paper also examines their processing, interesting physical properties (electrical, magnetic, and thermal characteristics), and responses to high pressure and ion irradiation. Brief sections on the elemental oxides' crystal chemistry, pertinent phase diagrams, and energetics of defect formation are also provided. Pyrochlore-type Ln2Ti2O7 and Ln2Zr2O7 stand out as truly multifunctional materials. Moreover, they have emerged as fascinating materials due to magnetic geometrical frustration, arising from the ordering of magnetic Ln3+ and non-magnetic Ti4+ (or Zr4+) cations into separate, interpenetrating lattices of corner-sharing tetrahedra. This results in a diverse array of exotic magnetic ground states, such as spin-ice (e.g., Dy2Ti2O7 or Ho2Ti2O7) or quantum spin ice (e.g., Tb2Ti2O7), observed at both low and room temperatures. They also exhibit varied electrical and electrochemical characteristics. Some members such as Gd2Zr2O7, function as fast ion conductors with a conductivity (σ) of ≈10−2 S·cm−1 at 800 °C and activation energy (Ea) ranging from 0.85 to 1.52 eV, depending on the degree of structural disorder. Others, such as Gd2TiMoO7, are mixed ionic-electronic conductors with σ ≈ 25 S·cm−1 at 1000 °C, making them promising candidate materials for applications in energy conversion and storage devices and oxygen separation membranes. Their exceptionally low thermal conductivity (e.g., κ ∼ 1.1–1.7 W·m−1·K−1 between 700 and 1200 °C for Ln2Zr2O7), close to the glass-like lower limit of highly disordered solids, positions them as valuable materials for thermal barrier coatings. They can also effectively accommodate actinides (e.g., Pu, Np, Cm, Am) in solid solutions and sustain prolonged exposure to radiation due to alpha-decay events, while preserving the integrity of the periodic atomic structure. Proposed as major components in actinide-bearing ceramics, they contribute to the long-term immobilization and disposal of long-lived waste radionuclides from nuclear programs. Some of these properties are displayed simultaneously, opening avenues for new applications. Despite the wealth of data available in the literature, this review highlights the need for a better understanding of order/disorder processes in pyrochlore-type materials and the influence of the structural length scale on their physical and chemical properties. Recent experimental evidence has revealed that pyrochlore short-range structure is far more complex than originally thought. Moreover, pyrochlore local structure is now believed to include short-range, lower symmetry, ordered domains, such as the orthorhombic weberite-type of structure. Notably, short- and long-range structures appear decoupled across different length scales and temperature regimes, and these differences persist even in well-ordered samples. We believe that the pyrochlore structure offers a unique opportunity for examining the interplay between chemical composition, defect chemistry, and properties. In Memoriam: Rodney C. Ewing, Fondly Remembered.

Physics↗
DOE OSTI2025

Oxygen vacancy-induced ferroelectric effect in (111) strontium titanate single crystals controls photoelectrochemical water oxidation

Ferroelectric materials, such as tetragonal BaTiO 3 , have a permanent electric polarization that can be controlled with an external electric field, however, a ferroelectric polarization in cubic SrTiO 3 is forbidden by the higher symmetry of the lattice. Here we demonstrate that hydrogen annealed SrTiO 3−x single crystals can be polarized electrically, and that the polarization controls the activity for photoelectrochemical water oxidation, a pathway to solar hydrogen fuel. Specifically, it is observed that the anodic water oxidation photocurrent increases from 0.99 to 2.22 mA cm −2 at 1.23 V RHE (60 mW cm −2 , UV illumination) or decreases to 0.50 mA cm −2 after electric polarization of hydrogen-annealed (111) SrTiO 3−x single crystals in forward or reverse direction. The polarization also modifies the surface photovoltage signal of the material and its flat band potential, based on Mott–Schottky measurements. These observations are attributed to the formation of an electric dipole at the (111) SrTiO 3−x surface, which alters the potential drop across the depletion layer at the solid–liquid junction, and with it the electron transfer barrier. Density functional theory calculations confirm that an electric dipole can result from the movement of oxygen vacancies between the surface or sub-surface layers of SrTiO 3−x . The filling of these surface oxygen vacancies is the probable cause for the observed disappearance of the electric polarization after 24 h storage in air and 48 h in argon. Overall, this work establishes a new surface-based ferroelectric effect in SrTiO 3−x and its use for solar energy conversion during photoelectrochemical water oxidation. Because oxygen vacancy defects are common, similar electric polarization effects are to be expected in other metal oxides.

Assavachin, Samutr [University of California, Davi↗
NASA NTRS1978

Thick section aluminum weldments for SRB structures

The Space Shuttle Solid Rocket Booster (SRB) forward and aft skirts were designed with fracture control considerations used in the design data. Fracture control is based on reliance upon nondestructive evaluation (NDE) techniques to detect potentially critical flaws. In the aerospace industry, welds on aluminum in the thicknesses (0.500 to 1.375 in.) such as those encountered on the SRB skirts are normally welded from both sides to minimize distortion. This presents a problem with the potential presence of undefined areas of incomplete fusion and the inability to detect these potential flaws by NDE techniques. To eliminate the possibility of an undetectable defect, weld joint design was revised to eliminate blind root penetrations. Weld parameters and mechanical property data were developed to verify the adequacy of the new joint design.

Bayless, E.↗
NASA NTRSDate not supplied

Comparison of In-situ Near Infrared Melt Pool Imagery to Optical Microscopy Measurements

Additive manufacturing (AM) is a rapidly growing technology. An area of major importance is the integrity and repeatability of AM parts. The goal is to reduce obstacles to certify AM built parts to allow for use in critical aerospace applications. In-situ nondestructive evaluation sensors can be used for build assessment and can potentially play a key role in certifying AM parts. For example, melt pool features are understood to have a strong correlation to microstructural defects and the use of a near infrared (NIR) camera can be used to record the melt pool, cooling areas, and temperature gradients during the build. This work explores the use of a low cost NIR camera to obtain single line track imagery of the Ti-6Al-4V melt pools for various processing parameters. The NIR camera is radiometrically calibrated and configured in-line with the laser source to obtain high resolution imagery of the melt pool shape and dynamics. The challenge to measure melt pool shapes is to identify the transition points between the metal solid to liquid phase. Factors for melt pool measurements such as thermal camera pixel resolution, surface emissivity, and blurring due to the laser beam movement are discussed. Lastly, the melt pool imagery are compared to optical microscopy measurements for validation.

additive manufacturing↗
DOE OSTI2021

Bulk and Short-Circuit Anion Diffusion in Epitaxial Fe 2 O 3 Films Quantified Using Buried Isotopic Tracer Layers

Self-diffusion is a fundamental physical process that, in solid materials, is intimately correlated with both microstructure and functional properties. In this work, a universal approach is presented to precisely characterize self-diffusion in ionic solids by isotopically enriching anions and/or cations at specific locations within an epitaxial film stack, and characterize their redistribution at high spatial resolution with atom probe tomography. Nanoscale anion diffusivity is quantified in epitaxial α-Fe 2 O 3 thin films deposited by molecular beam epitaxy with a thin (10 nm) buried layer highly enriched in 18 O. The isotopic sensitivity of the atom probe allows precise measurement of 18 O distribution across the sharp interfaces between this layer and the surrounding Fe 2 O 3 after annealing. Short-circuit anion diffusion through 1D and 2D structural defects in Fe 2 O 3 are also directly visualized in 3D. This versatile approach to study precisely tailored thin film samples at high spatial and mass fidelity will facilitate a deeper understanding of atomic-scale diffusion phenomena.

36 MATERIALS SCIENCE↗