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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Light-enhanced oxygen degradation of MAPbBr 3 single crystal

Organometal halide perovskites are promising materials for optoelectronic applications, whose commercial realization depends critically on their stability under multiple environmental factors. In this study, a methylammonium lead bromide (MAPbBr 3 ) single crystal was cleaved and exposed to simultaneous oxygen and light illumination under ultrahigh vacuum (UHV). The exposure process was monitored using X-ray photoelectron spectroscopy (XPS) with precise control of the exposure time and oxygen pressure. It was found that the combination of oxygen and light accelerated the degradation of MAPbBr 3 , which could not be viewed as a simple addition of that by oxygen-only and light-only exposures. The XPS spectra showed significant loss of carbon, bromine, and nitrogen at an oxygen exposure of 10 10 Langmuir with light illumination, approximately 17 times of the additive effects of oxygen-only and light-only exposures. It was also found that the photoluminescence (PL) emission was much weakened by oxygen and light co-exposure, while previous reports had shown that PL was substantially enhanced by oxygen-only exposure. Measurements using a scanning electron microscope (SEM) and focused ion beam (FIB) demonstrated that the crystal surface was much roughened by the co-exposure. Furthermore, Density functional theory (DFT) calculations revealed the formation of superoxide and oxygen induced gap state, suggesting the creation of oxygen radicals by light illumination as a possible microscopic driving force for enhanced degradation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Intercalation induced quasi-freestanding layer in TiSe 2

Angle-resolved photoemission spectroscopy is employed to study the electronic structure of bulk TiSe 2 before and after doping with potassium impurities. A splitting in the conduction band into two branches is observed after room-temperature deposition. The splitting energy increases to approximately 130 meV when the sample is cooled to 40 K. One branch exhibits a nondispersive two-dimensional feature, while the other shows the characteristics of three-dimensional bulk band dispersion. Core-level spectroscopy suggests that the K impurities predominantly occupy the intercalated sites within the van der Waals gap. Furthermore, the results indicate the formation of a quasi-freestanding TiSe 2 layer. Additionally, doping completely suppresses the periodic lattice distortion in the surface region. These findings are further supported by density functional theory calculations, which compare the band structure of monolayer and bulk TiSe 2 with experimental data. Thus, the dimensional and intrinsic electronic properties of 1⁢𝑇−TiSe 2 can be controlled through the intercalation procedure used in this work.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Topography of Fermi arcs in 𝑡−PtBi 2 using high-resolution angle-resolved photoemission spectroscopy

Here, we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of trigonal phase PtBi 2 (𝑡 −PtBi 2 ), a proposed Weyl semimetal that is expected to exhibit topological Fermi arcs. Our ARPES data elucidates the topography of these objects and confirms their Fermi arc character. The arcs are formed by surface bands that have fairly flat bottoms located very close to the chemical potential ∼ 6–8 meV, before they merge with bulk bands at higher binding energy. Comparison of the ARPES data with DFT calculations shows good agreement about their location and topography. Data acquired at low temperatures does not show any signatures of superconductivity down to 3 K in terms of expected changes in dispersion due to formation of Bogoliubov quasiparticles or superconducting gap in the form of reliable shifts of peaks in energy distribution curves.

Fermi surface↗
DOE OSTI2026

Outcomes of PAX sapiens-Supported Global Wildlife Data Sharing Conferences for Enhanced One Health Security (GWDSC)

Across two consecutive Global Wildlife Data Sharing Conferences supported by PAX sapiens—Year 1 (May 2024) at Pacific Northwest National Laboratory and Year 2 (2025) in Ciudad Real, Spain—the initiative converted wildlife data sharing from aspiration into operational reality, producing measurable impacts in platform development, data mobilization, standards harmonization, and international partnership formation. The conferences addressed a critical gap in global health security: while 75% of emerging infectious diseases affect both humans and animals and over 60% originate in wildlife, wildlife health surveillance has historically lagged behind human and agricultural sectors due to fragmented databases, inconsistent terminology, uneven capacity, and limited cross-border coordination. By convening practitioners, government agencies, international organizations, academic institutions, and NGOs, the GWDSC catalyzed trust-based relationships and practical workflows that enable earlier detection, better risk assessment, and more effective prevention of threats at the wildlife–domestic animal–human–environment interface.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

Search for the Universal Ancestors

By its nature, the study of the origins of life is multidisciplinary, requiring contributions from astronomers, biologists, chemists, geologists, physicists, and many others. Partial answers are provided to many questions about organic chemical evolution and the origin of life. It is observed that the gaps in our knowledge concerning the steps from the nonliving to the living are numerous. Among these gaps are: (1) a solar system formation with its accumulation of raw materials; (2) the synthesis of the life forming monomers, such as the amino acids, nucleotides, and lipids; (3) the condensation of these monomers into useful polymers, such as proteins and nucleic acids; (4) the sequestering of these materials into droplets of proteinoid or membrane-like structures; and (5) the development of a chemical memory (the genetic code) to pass on to the progeny the information acquired.

Hartman, H.↗
DOE OSTI2023

Effects of turbulent diffusion and back-reaction on the dust distribution around two resonant planets

In evolved and dusty circumstellar discs, two planets with masses comparable to Jupiter and Saturn that migrate outwards while maintaining an orbital resonance can produce distinctive features in the dust distribution. Dust accumulates at the outer edge of the common gas gap, which behaves as a dust trap, where the local dust concentration is significantly enhanced by the planets’ outward motion. Concurrently, an expanding cavity forms in the dust distribution inside the planets’ orbits, because dust does not filter through the common gaseous gap and grain depletion in the region continues via inward drifting. There is no cavity in the gas distribution because gas can filter through the gap, although ongoing gas accretion on the planets can reduce the gas density in the inner disc. Such behaviour was demonstrated by means of simulations neglecting the effects of dust diffusion due to turbulence and of dust backreaction on the gas. Both effects may alter the formation of the dust peak at the gap outer edge and of the inner dust cavity, by letting grains filter through the dust trap. We performed high-resolution hydrodynamical simulations of the coupled evolution of gas and dust species, the latter treated as pressureless fluids, in the presence of two giant planets. We show that diffusion and backreaction can change some morphological aspects of the dust distribution but do not alter some main features, such as the outer peak and the expanding inner cavity. Furthermore, these findings are confirmed for different parametrizations of gas viscosity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Methanol adsorption and dissociation on GaP(110) studied by ambient pressure X-ray photoelectron spectroscopy

Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) was used to investigate methanol (CH 3 OH) adsorption and reaction on the GaP(110) surface. Exposure of CH 3 OH to GaP(110) at room temperature led to the formation of at least four different surface species as indicated by analysis of C 1s and O 1s XPS features. By combining AP-XPS data with density functional theory calculations, the surface species were identified as methoxy (CH 3 O*), formaldehyde (CH 2 O*), and paired methanol (p-CH 3 O*H) and methoxy (p-CH 3 O*) species, where “paired” means that they belong to a hydrogen-bonded methoxy-methanol complex. Asterisk * here indicates an adsite. The formation of CH 2 O* via the dehydrogenation of CH 3 O* was shown to be limited by the availability of vacant phosphorus (P) sites on GaP(110). With an increase in CH 3 OH pressure, the fractional coverage of CH 3 O* species reached 0.55, and the surface P sites were completely saturated with hydrogen. Under a constant CH 3 OH pressure of 0.5 Torr, the surface concentration of the paired species and of CH 2 O* remained constant until 400 K. At higher temperatures, thermally driven reactions led to a significant increase in the concentration of surface CH x * species, which suggests that C-O bond cleavage of the CH 3 O group is the dominant decomposition mechanism on GaP(110). In conclusion, based on the reactivity of GaP(110) toward CH 3 OH dehydrogenation, elevated temperatures and CH 3 OH pressures may be used to functionalize this surface.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Effect of Simulated Scalloped Ice on the Aerodynamics of a Swept-Wing at Low-Reynolds Number

This paper studied the aerodynamic effects of a single scalloped ice accretion and two lower fidelity ice-shape simulations. These data were compared to the aerodynamics of a clean 8.9% scale CRM65 semispan wing model at a Reynolds number of 1.6 x 10(exp 6). The clean wing experienced an aggressive, tip-first stall and showed a small, strong leading-edge vortex at lower angle-of-attack while the iced cases showed larger, seemingly weaker leading-edge vortices at similar angles. The size of these vortices is larger for the low-fidelity ice shape. The stall pattern for the iced cases was also tip-first, but more gradual than the clean wing. The high-fidelity ice shape produced streamwise flow features over the upper surface of the wing due to flow moving through gaps that exist in the ice shape geometry that disrupted the formation of the leading-edge vortices, changing the aerodynamics of the wing. These gaps do not exist in the low-fidelity shape. The low-fidelity scallop ice shape was non-conservative in its aerodynamic penalties compared to the full high-fidelity case.

Aircraft icing↗
NASA NTRS2005

Equivalent Circuit Modeling for Carbon Nanotube Schottky Barrier Modulation in Polarized Gases

We study the carbon nanotube Schottky barrier at the metallic electrode interface in polarized gases using an equivalent circuit model. The gas-nanotube interaction is often weak and very little charge transfer is expected [l]. This is the case with'oxygen, but the gas-electrode interaction is appreciable and makes the oxygen molecules negatively charged. In the closed circuit condition, screening positive charges appear in the nanotube as well as in the electrode, and the Schottky barrier is modulated due to the resultant electrostatic effects [2]. In the case of ammonia, both the gas-nanotube and gas-electrode interactions are weak, but the Schottky barrier can still be modulated since the molecules are polarized and align in the preferred orientation within the gap between the electrode and nanotube in the open circuit condition (dipole layer formation). In the closed circuit condition, an electric field appears in the gap and strengthens or weakens the preferred dipole alignment reflecting the nanotube Fermi level. The modulation is visible when the nanotube depletion mode is involved, and the required dipole density is as low as 2 x 10(exp 13) dipoles/sq cm, which is quite feasible experimentally,

Yamada, Toshishige↗
NASA NTRS2018

Nebula Scale Mixing Between Non-Carbonaceous and Carbonaceous Chondrite Reservoirs: Testing the Grand Tack Model with Almahata Sitta Stones

There is an increasing number of Cr-O-Ti isotope studies that show that solar system materials are divided into two main populations, one carbonaceous chondrite (CC)-like and the other is non-carbonaceous (NCC)-like, with minimal mixing between them attributed to a gap opened in the propoplanetary disk due to Jupiter's formation. The Grand Tack model suggests that there should be a particular time in the disk history when this gap is breached and ensuring a subsequent large-scale mixing between S- and C-type asteroids (inner solar system and outer solar system materials), an idea supported by our recent work on chondrule (Delta)17O-(epsilon)54Cr isotope systematics.

Yin, Q.-Z.↗
DOE OSTI2020

Modular electrode tool for improved hydraulic fracture diagnostics

Systems and methods for assessing physical properties of a geological formation are disclosed. The systems and methods may use electrodes that include two conductive portions separated by an isolation gap positioned along a casing in a wellbore in the formation. The electrodes may be sequentially energized to provide excitation stimulus into the formation while the remaining, non-energized electrodes may substantially simultaneously receive excitation responses to the excitation stimulus from the formation. The excitation responses may be assessed to determine one or more physical properties of fractures in the formation.

58 GEOSCIENCES↗
NASA NTRS1994

The detection and study of pre-planetary disks

A variety of evidence suggests that at least 50% of low-mass stars are surrounded by disks of the gas and dust similar to the nebula that surrounded the Sun before the formation of the planets. The properties of these disks may bear strongly on the way in which planetary systems form and evolve. As a result of major instrumental developments over the last decade, it is now possible to detect and study the circumstellar environments of the very young, solar-type stars in some detail, and to compare the results with theoretical models of the early solar system. For example, millimeter-wave aperture synthesis imaging provides a direct means of studying in detail the morphology, temperature and density distributions, velocity field and chemical constituents in the outer disks, while high resolution, near infrared spectroscopy probes the inner, warmer parts; the emergence of gaps in the disks, possibly reflecting the formation of planets, may be reflected in the variation of their dust continuum emission with wavelength. We review progress to date and discuss likely directions for future research.

Sargent, A. I.↗
NASA NTRS1997

The Next Generation Space Telescope: Visiting a Time When Galaxies Were Young

In the spring and summer of 1996, three independent teams studied the feasibility of a large aperture space telescope to follow the Hubble Space Telescope. The scientific goals for the new telescope had been laid out in a report by the HST & Beyond Committee, a group appointed by the Association of Universities for Research in Astronomy to consider the needs of the astronomical community after the nominal end of the HST mission in 2005. The technical capabilities and constraints on the new observatory were daunting: the telescope optics should be at least 4 meters in diameter and passively cooled to achieve optimum sensitivity in the near-infrared portion of the spectrum. Moreover, the costs should be kept within a fraction of those for the HST: approximately $500M for construction and $900M for lifetime costs, not including support for scientific data analysis. In their presentations to NASA on 19-21 August, 1996, the teams led by Lockheed Martin, TRW, and the Goddard Space Flight Center concluded that a Next Generation Space Telescope (NGST) was not only feasible and affordable, but that it could be made more powerful using recent breakthroughs in space technologies. Coming on the heels of breathtaking HST observations of distant galaxies in the process of formation, such an NGST could bridge the gap in our understanding of the earliest origins of stars, galaxies, and the elements that are the foundations of Life. This report presents the findings of the three teams and the technological roadmap which will guide us to the successful development of the NGST over the next decade. We have made liberal use of the written material, tables, and diagrams prepared by the three study teams. We have also taken advantage of the knowledge and ideas of our colleagues in government, industry and academia. In Appendix A, we list the members of the three study groups, the NGST Science Working Group and the NGST Scientific Oversight Committee. We deeply appreciate their assistance, advice, and enthusiasm. The scientific and technological goals of NGST are part of the Origins initiative in the Office of Space Science, NASA Headquarters. We are pleased to acknowledge the support and leadership of Edward Weiler, a steadfast friend of HST, Harley Thronson, a proponent of all things infrared, and Mike Kaplan, a tireless advocate of new technology. John Campbell, Project Manager for HST, initiated the NGST study at GSFC and we deeply appreciate his formative efforts and continued support. We are also grateful for the foresight of Riccardo Giacconi, Director General of the European Southern Observatory (ESO), and the efforts of his staff. We note that European Space Agency (ESA) staff at the Space Telescope Science Institute and ESO played important roles in the NGST scientific and technical studies. We look forward to future collaboration with ESA, ESO, and other international partners.

H.S. Stockman↗
DOE OSTI2020

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

Selective hydrogenation of unsaturated aldehydes to unsaturated alcohols is a challenging class of reactions, yielding valuable intermediates for the production of pharmaceuticals, perfumes, and flavorings. On monometallic heterogeneous catalysts, the formation of the unsaturated alcohols is thermodynamically disfavored over the saturated aldehydes. Hence, new catalysts are required to achieve the desired selectivity. In this work, the literature of three major research areas in catalysis is integrated as a step toward establishing the guidelines for enhancing the selectivity: reactor studies of complex catalyst materials at operating temperature and pressure, surface science studies of crystalline surfaces in ultrahigh vacuum, and first-principles modeling using density functional theory calculations. Aggregate analysis shows that bimetallic and dilute alloy catalysts significantly enhance the selectivity to the unsaturated alcohols compared to monometallic catalysts. This comprehensive review focuses primarily on the role of different metal surfaces as well as the factors that promote the adsorption of the unsaturated aldehyde via its C=O bond, most notably by electronic modification of the surface and formation of the electrophilic sites. Furthermore, challenges, gaps, and opportunities are identified to advance the rational design of efficient catalysts for this class of reactions, including the need for systematic studies of catalytic processes, theoretical modeling of complex materials, and model studies under ambient pressure and temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Deep learning the properties of inorganic perovskites

We report the ability to accurately and quickly predict the stability of materials and their structural and electronic properties remains a grand challenge in materials science. Density functional theory is widely used as a means of predicting these material properties, but is known to be computationally expensive and scales as the cube of the number of electrons in the material’s unit cell. In this article, for a previously published dataset of inorganic perovskites, we show that a single neural network model using only the elemental properties of the compounds’ constituents can predict lattice constants to within 0.1 Å, heat of formation to within 0.2 eV, and band gaps to within 0.7 eV RMSE. We also compare the performance of the trained network to two widely used regression techniques, namely random forest and Kernel ridge regression, and find that the neural network’s predictions are more accurate for each of the properties. The simultaneous accurate prediction of multiple key properties of technologically relevant materials is promising for rational design and optimization in known and novel chemical spaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fabrication of field-effect transistors with transfer-free nanostructured carbon as semiconducting channel material

Carbon nanostructures as active channel material in field effect transistors (FETs) are appealing in microelectronics for their improved performance such as high speed and low energy dissipation. However, these devices require the incorporation of nanostructure transfer steps in the fabrication process flow, which makes difficult its application in large scale integration circuits. Here we present a novel method for the fabrication of FETs with nanostructured carbon in the channel with p-type semiconducting properties and intermediate drain-source current (IDS) on/off ratio. The method is based on the use of Ni nanoparticles in the source-drain gap region as seed material for the formation of carbon nanostructures in the FET channel. FETs without Ni nanoparticles in the channel showed no modulation of IDS as a function of gate voltage. The device fabrication process does not require any carbon nanostructure transfer steps since it directly forms carbon nanostructures electrically connected to the device's source and drain electrodes via electron-beam evaporation of carbon and conventional lithographic processes. Since all device fabrication steps are compatible with Si technology processes, they are capable of being further optimized following process development protocols practiced by the semiconductor industry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Numerical modelling of impact seismic sources using the stress glut theory

SUMMARY Meteorite impacts have proved to be a significant source of seismic signal on the Moon, and have now been recorded on Mars by InSight seismometers. Understanding how impacts produce seismic signal is key to the interpretation of this unique data, and to improve their identification in continuous seismic records. Here, we use the seismic Representation Theorem, and particularly the stress glut theory, to model the seismic motion resulting from impact cratering. The source is described by equivalent forces, some resulting from the impactor momentum transfer, and others from the stress glut, which represents the mechanical effect of plasticity and non linear processes in the source region. We condense these equivalent forces into a point-source with a time-varying single force and nine-component moment tensor. This analytical representation bridges the gap between the complex dynamics of crater formation, and the linear point-source representation classically used in seismology. Using the multiphysics modelling software HOSS, we develop a method to compute the stress glut of an impact, and the associated point-source from hypervelocity impact simulations. For a vertical and an oblique impact at 1000 m s−1, we show that the moment tensor presents a significant deviatoric component. Hence, the source is not an ideal isotropic explosion contrary to previous assumptions, and draws closer to a double couple for the oblique impact. The contribution of the point force to the seismic signal appears negligible. We verify this model by comparing two signals: (1) HOSS is coupled to SPECFEM3D to propagate the near-source signal elastically to remote seismic stations; (2) the point-source model derived from the stress-glut theory is used to generate displacements at the same distance. The comparison shows that the point-source model is accurately simulating the low-frequency impact seismic waveform, and its seismic moment is in trend with Lunar and Martian impact data. High-frequencies discrepancies exist, which are partly related to finite-source effects, but might be further explained by the difference in mathematical framework between classical seismology and HOSS’ numerical modelling.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1978

Comparative characteristics of electron energy spectrum in PIG and arc type discharge plasmas

The electron distribution functions relative to the velocity component directed along the magnetic field are compared for PIG and arc type discharges. The identity of these functions for the plasma region pierced by the primary electron beam and their difference in the peripheral part of the discharge are shown. It is concluded that the electron distribution function in the PIG type discharge is formed during one transit of the primary electron through the discharge gap. The mechanisms of electron energy spectrum formation in both the axis region and the peripheral region of the discharge are discussed.

Romanyuk, L. I.↗