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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 73 records · Page 4

Structure of V-defects in long wavelength GaN-based light emitting diodes

The V-defect is a naturally occurring inverted hexagonal pyramid structure that has been studied in GaN and InGaN growth since the 1990s. Strategic use of V-defects in pre-quantum well superlattices or equivalent preparation layers has enabled record breaking efficiencies for green, yellow, and red InGaN light emitting diodes (LEDs) utilizing lateral injection of holes through the semi-polar sidewalls of the V-defects. In this article, we use advanced characterization techniques such as scattering contrast transmission electron microscopy, high angle annular dark field scanning transmission electron microscopy, x-ray fluorescence maps, and atom probe tomography to study the active region compositions, V-defect formation, and V-defect structure in green and red LEDs grown on (0001) patterned sapphire and (111) Si substrates. We identify two distinct types of V-defects. The “large” V-defects are those that form in the pre-well superlattice and promote hole injection, usually nucleating on mixed (Burgers vector b = ±a±c⁠) character threading dislocations. In addition, “small” V-defects often form in the multi-quantum well region and are believed to be deleterious to high-efficiency LEDs by providing non-radiative pathways. The small V-defects are often associated with basal plane stacking faults or stacking fault boxes. Furthermore, we show through scattering contrast transmission electron microscopy that during V-defect filling, the threading dislocation, which runs up the center of the V-defect, will “bend” onto one of the six {10$\overline{1}$1} semi-polar planes. In conclusion, this result is essential to understanding non-radiative recombination in V-defect engineered LEDs.

42 ENGINEERING↗

Dissecting Nearby Galaxies with piXedfit. I. Spatially Resolved Properties of Stars, Dust, and Gas as Revealed by Panchromatic SED Fitting

We study spatially resolved properties (on spatial scales of ~1–2 kpc out to at least 3 effective radii) of the stars, dust, and gas in 10 nearby spiral galaxies. The properties of the stellar population and dust are derived by fitting the spatially resolved spectral energy distribution (SED) with more than 20 photometric bands ranging from far-ultraviolet to far-infrared. Our newly developed software piXedfit performs point-spread function matching of images, pixel binning, and models the stellar light, dust attenuation, dust emission, and emission from a dusty torus heated by an active galactic nucleus simultaneously through the energy-balance approach. With this self-consistent analysis, we present the spatially resolved version of the IRX–βrelation, finding that it is consistent with the relationship from the integrated photometry. We show that the old stellar populations contribute to the dust heating, which causes an overestimation of the star formation rate (SFR) derived from the total ultraviolet and infrared luminosities on kiloparsec scales. With archival high-resolution maps of atomic and molecular gas, we study the radial variation of the properties of the stellar populations (including stellar mass, age, metallicity, and SFR), dust (including dust mass, dust temperature, and abundance of polycyclic aromatic hydrocarbon), and gas, as well as dust-to-stellar mass and dust-to-gas mass ratios. We observe a depletion of the molecular gas mass fraction in the central region of the majority of the galaxies, suggesting that the lack of available fuel is an important factor in suppressing the specific SFR at the center.

79 ASTRONOMY AND ASTROPHYSICS↗

The great galactic centre mystery

Gamma-ray observations of the center of the Galaxy show a varying positron-electron annihilation radiation emission, while at radio wavelengths a non-thermal compact source surrounded by ionized gas moving at high velocities can be seen. Line emission maps for atomic and ionized hydrogen and molecular gas suggest gas expulsion and a massive collapsed object. IR observations show that ionized gas in the central few parsecs of the Galactic center is concentrated in at least 14 small clouds. Charge-coupled device images show a pair of faint, very red sources within a few arc seconds of IRS 16 and the compact non-thermal radio source. The positron-electron annihilation line emission implies an annihilation rate of 10 to the 43rd per sec, compared with an observed luminosity at IR wavelengths of 10 to the 40 erg per sec. Some models are briefly discussed.

Riegler, G. R.↗

Modeling Molecules

The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

Source record↗

Integrated Systems Health Management (ISHM) Toolkit

A framework of software components has been implemented to facilitate the development of ISHM systems according to a methodology based on Reliability Centered Maintenance (RCM). This framework is collectively referred to as the Toolkit and was developed using General Atomics' Health MAP (TM) technology. The toolkit is intended to provide assistance to software developers of mission-critical system health monitoring applications in the specification, implementation, configuration, and deployment of such applications. In addition to software tools designed to facilitate these objectives, the toolkit also provides direction to software developers in accordance with an ISHM specification and development methodology. The development tools are based on an RCM approach for the development of ISHM systems. This approach focuses on defining, detecting, and predicting the likelihood of system functional failures and their undesirable consequences.

Venkatesh, Meera↗

Methods for stabilizing biological and soft materials for atom probe tomography

Techniques are disclosed for stabilizing soft specimen traditionally considered too fragile for APT instruments. These specimens include biological samples, polymers and other fragile materials. For this purpose, a protective structure is disclosed that surrounds the sides of the specimen by supporting walls while only exposing the very end or terminus of the specimen to the electrostatic field of the APT instrument. The protective structure may take the form of a nanoscale conical grinder which continually machines the specimen to regenerate the terminus of the specimen in-situ. Alternately, the protective structure may take the form of a nanopipette in which the specimen is first frozen before undergoing field evaporation together with the tip of the nanopipette. Heretofore only routinely possible for rigid and hard materials, the design thus extends APT analysis to produce three-dimensional atomic-scale maps of soft specimens.

36 MATERIALS SCIENCE↗

Path-Based Dictionary Augmentation: A Framework for Improving $k$ -Sparse Image Processing

In this study, we have previously shown that augmenting orthogonal matching pursuit (OMP) with an additional step in the identification stage of each pursuit iteration yields improved $k$ -sparse reconstruction and denoising performance relative to baseline OMP. At each iteration a “path” or geodesic, is generated between the two dictionary atoms that are most correlated with the residual and from this path a new atom that has a greater correlation to the residual than either of the two bracketing atoms is selected. Here, we provide new computational results illustrating improvements in sparse coding and denoising on canonical datasets using both learned and structured dictionaries. The two methods of constructing a path are investigated for each dictionary type: the Euclidean geodesic formed by a linear combination of the two atoms and the 2-Wasserstein geodesic corresponding to the optimal transport map between the atoms. We prove here the existence of a higher-correlation atom in the Euclidean case under assumptions on the two bracketing atoms and introduce algorithmic modifications to improve the likelihood that the bracketing atoms meet those conditions. Although, we demonstrate our augmentation on OMP alone, in general it may be applied to any reconstruction algorithm that relies on the selection and sorting of high-similarity atoms during an analysis or identification phase.

97 MATHEMATICS AND COMPUTING↗

Topographic and nanomechanical mapping of plutonium surfaces

Atomic force microscopy of gallium-stabilized δ-phase plutonium coupons has been used to map their topography and qualitative mechanical character, including Derjaguin-Muller-Toporov modulus, adhesion, deformation, and dissipation. Initial topographical results demonstrate that the plutonium surface is considerably rough and heterogeneous. Qualitative nanomechanical mapping revealed distinct striation patterns that are not observed in the topography images. Further investigation of the striations in the nanomechanical modes of imaging suggest that they are not measurement artifacts, or plutonium specific features. Similar investigations of stainless steel surfaces established a strong correlation between the mechanical working of the surface (i.e. cutting and grinding) and the appearance of the striations. Reimaging of the plutonium surface after moderate oxidation occurring within an inert Ar atmosphere (~1 ppm O 2 ) over the course of 13 months revealed a diminished striation pattern. It is suggested that surface stress/strain induced by the mechanical working of the metal surfaces results in the patterns of variable modulus, adhesion, deformation, and dissipation, and that these patterns are affected by the chemical changes and aging of the plutonium surface.

36 MATERIALS SCIENCE↗

158 micrometers (CII) mapping of NGC 6946: Probing the atomic medium

The strong 158 micrometers (C2) cooling line of the NGC 6946 galaxy is investigated. The data was acquired with a far infrared imaging Fabry-Perot interferometer with 55 minutes resolution. About 1 percent of the total far infrared luminosity of the galaxy is analyzed. The (C2) emission comes from a mizture of components of interstellar gas. The brightest emission is associated with the nucleus, a second component traces the spiral arms and the largest star forming/H2 regions contained within them, and a third extended component of low brightness can be detected at least 12 kpc from the nucleus. The nuclear and spiral arm components are most likely associated with dense photon dominated regions at molecular cloud surfaces that are exposed to ultraviolet radiation produced by young massive stars. The (C2) emission is analyzed and the cooling rate in the atomic medium is consistent with photoelectric heating by diffuse ultraviolet radiation.

Madden, S. C.↗

Cold atoms in space: community workshop summary and proposed road-map

We summarise the discussions at a virtual Community Workshop on Cold Atoms in Space concerning the status of cold atom technologies, the prospective scientific and societal opportunities offered by their deployment in space, and the developments needed before cold atoms could be operated in space. The cold atom technologies discussed include atomic clocks, quantum gravimeters and accelerometers, and atom interferometers. Prospective applications include metrology, geodesy and measurement of terrestrial mass change due to, e.g., climate change, and fundamental science experiments such as tests of the equivalence principle, searches for dark matter, measurements of gravitational waves and tests of quantum mechanics. We review the current status of cold atom technologies and outline the requirements for their space qualification, including the development paths and the corresponding technical milestones, and identifying possible pathfinder missions to pave the way for missions to exploit the full potential of cold atoms in space. Finally, we present a first draft of a possible road-map for achieving these goals, that we propose for discussion by the interested cold atom, Earth Observation, fundamental physics and other prospective scientific user communities, together with the European Space Agency (ESA) and national space and research funding agencies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Exploring model complexity in machine learned potentials for simulated properties

Abstract Machine learning (ML) enables the development of interatomic potentials with the accuracy of first principles methods while retaining the speed and parallel efficiency of empirical potentials. While ML potentials traditionally use atom-centered descriptors as inputs, different models such as linear regression and neural networks map descriptors to atomic energies and forces. This begs the question: what is the improvement in accuracy due to model complexity irrespective of descriptors? We curate three datasets to investigate this question in terms of ab initio energy and force errors: (1) solid and liquid silicon, (2) gallium nitride, and (3) the superionic conductor Li $$_{10}$$ 10 Ge(PS $$_{6}$$ 6 ) $$_{2}$$ 2 (LGPS). We further investigate how these errors affect simulated properties and verify if the improvement in fitting errors corresponds to measurable improvement in property prediction. By assessing different models, we observe correlations between fitting quantity (e.g. atomic force) error and simulated property error with respect to ab initio values. Graphical abstract

Rohskopf, A. (ORCID:0000000227128296)↗

The Interstellar Mapping And Acceleration Probe High Energy (IMAP-Hi) Neutral Atom Imager

The IMAP-Hi Energetic Neutral Atom (ENA) Imager on NASA’s Interstellar Mapping and Acceleration Probe (IMAP) mission (McComas et al. 2018a, 2025) is designed to measure ENAs from the global interaction between the heliosphere and the local interstellar medium (LISM). These ENAs are initially plasma ions of solar wind origin that are neutralized by charge exchange with the cold neutral atoms of LISM that freely flow through the heliosphere-LISM interaction region. IMAP-Hi consists of two identical single-pixel sensors, each covering the ENA spectral range from 0.44 keV to 15.6 keV over nine contiguous energy passbands and having an approximately conical field-of-view (FOV) of 4.1o full width at half maximum (FWHM). The Hi-45 sensor points 45o relative to the spacecraft spin axis from the antisunward direction; each spacecraft spin, it measures ENA intensity over a circular swath with half-cone angle 45o centered on the ecliptic plane. The Hi-90 sensor points 90o relative to the spin axis; each spacecraft spin, it measures ENA intensity over a great circle in the sky, sampling both the north and south ecliptic poles. As the IMAP spin vector is re-pointed daily toward the Sun, the ecliptic longitude of the swaths moves daily by ∼1o such that a full sky map is acquired by Hi-90 every six months and a complete low latitude (−45o to +45o) map is acquired by Hi-45 annually. The IMAP-Hi sensor design has direct heritage from the IBEX-Hi imager on the Interstellar Boundary Explorer (IBEX) mission, with substantial improvements in energy range, energy resolution, angular resolution, signal-to-noise ratio, and, for ecliptic latitudes within ±45o, temporal resolution and exposure time. The global ENA maps acquired by IMAP-Hi partially overlap in energy and viewing with the ENA maps acquired by the IMAP-Lo and IMAP-Ultra ENA imagers, which we combine to answer fundamental questions about the structure and dynamics of the interaction of the heliosphere and the LISM.

79 ASTRONOMY AND ASTROPHYSICS↗

Correlated mechanochemical maps of Arabidopsis thaliana primary cell walls using atomic force microscope infrared spectroscopy

Spatial heterogeneity in composition and organisation of the primary cell wall affects the mechanics of cellular morphogenesis. However, directly correlating cell wall composition, organisation and mechanics has been challenging. To overcome this barrier, we applied atomic force microscopy coupled with infrared (AFM-IR) spectroscopy to generate spatially correlated maps of chemical and mechanical properties for paraformaldehyde-fixed, intact Arabidopsis thaliana epidermal cell walls. AFM-IR spectra were deconvoluted by non-negative matrix factorisation (NMF) into a linear combination of IR spectral factors representing sets of chemical groups comprising different cell wall components. This approach enables quantification of chemical composition from IR spectral signatures and visualisation of chemical heterogeneity at nanometer resolution. Cross-correlation analysis of the spatial distribution of NMFs and mechanical properties suggests that the carbohydrate composition of cell wall junctions correlates with increased local stiffness. Together, our work establishes new methodology to use AFM-IR for the mechanochemical analysis of intact plant primary cell walls.

59 BASIC BIOLOGICAL SCIENCES↗

Spatial and temporal behavior of atomic oxygen determined by Ogo 6 airglow observations

Maps are produced of the atomic oxygen density near 97 km showing a strong variation in latitude, longitude, universal time, and time of year. These densities are deduced from atomic oxygen green nightglow observations carried out from Ogo 6. Meridional wind patterns needed to support the asymmetries observed in local oxygen production and loss rates are deduced.

Donahue, T. M.↗

Interpreting The Unresolved Intensity Of Cosmologically Redshifted Line Radiation

Intensity mapping experiments survey the spectrum of diffuse line radiation rather than detect individual objects at high signal-to-noise ratio. Spectral maps of unresolved atomic and molecular line radiation contain three-dimensional information about the density and environments of emitting gas and efficiently probe cosmological volumes out to high redshift. Intensity mapping survey volumes also contain all other sources of radiation at the frequencies of interest. Continuum foregrounds are typically approximately 10(sup 2)-10(Sup 3) times brighter than the cosmological signal. The instrumental response to bright foregrounds will produce new spectral degrees of freedom that are not known in advance, nor necessarily spectrally smooth. The intrinsic spectra of fore-grounds may also not be well known in advance. We describe a general class of quadratic estimators to analyze data from single-dish intensity mapping experiments and determine contaminated spectral modes from the data themselves. The key attribute of foregrounds is not that they are spectrally smooth, but instead that they have fewer bright spectral degrees of freedom than the cosmological signal. Spurious correlations between the signal and foregrounds produce additional bias. Compensation for signal attenuation must estimate and correct this bias. A successful intensity mapping experiment will control instrumental systematics that spread variance into new modes, and it must observe a large enough volume that contaminant modes can be determined independently from the signal on scales of interest.

INTERPRETING↗

A New Window into the Baryon Cycle at Cosmic Noon with Line Intensity Mapping: Forecasts for auto- and cross-correlations in [CII]-158$μ$m, HI 21 cm, CO$_{J+1\rightarrow J}$, and H$α$ galaxies

Across the peak of cosmic star formation at $z\sim1-2$, inflow, processing, and feedback drive rapid changes in the spatial distribution and chemical composition of baryons in galaxies and surrounding reservoirs; this baryon cycle can be tomographically mapped by line intensity mapping (LIM) of atomic hydrogen, ionized carbon, and carbon monoxide. We present a simulation-based forecasting framework for detecting auto- and cross-power spectra between spectroscopic surveys of four such tracers at $z\sim0.5-1.7$ mapping the same deep field - TIM, EoRSpec/FYST, MeerKAT, & Euclid. We forward-model 3-D distributions for these tracers from magnetohydrodynamic simulations, directly capturing the two-halo, one-halo, and shot statistics without relying on analytical decompositions. We further detail a signal-to-noise formalism, tailored to LIM surveys with highly anisotropic geometries and Fourier-space coverage. We demonstrate that galaxy cross-correlations will be the dominant discovery channel for current-generation surveys. These instruments will detect the auto-spectra for CO and HI 21 cm and the CO $\times$ 21 cm cross-spectrum at modest S/N $\sim 1-10$, while placing upper limits on the [CII]-158$μ$m signals. [CII], CO, and HI LIM will be $\sim3-30\times$ ($0.5-1.5$ dex) more sensitive to cross-correlation with the Euclid survey, however, than their respective auto-correlations, constraining all three models of line emission at high significance (S/N $\sim 10-40$) within this decade. Finally, we formulate a staged instrumental trajectory with planned or reasonable improvements, including the as-proposed SKA-Mid. We forecast advancing the per-$k$-mode sensitivities of each auto-, galaxy-line, and line-line spectrum by several orders of magnitude, enabling new percent- and sub-percent level constraints on cosmology and the redshift evolution of star formation and the baryon cycle.

Agrawal, Shubh [Pennsylvania U., Dept. Math.]↗

Electrically driven photon emission from individual atomic defects in monolayer WS 2

Quantum dot–like single-photon sources in transition metal dichalcogenides (TMDs) exhibit appealing quantum optical properties but lack a well-defined atomic structure and are subject to large spectral variability. Here, we demonstrate electrically stimulated photon emission from individual atomic defects in monolayer WS 2 and directly correlate the emission with the local atomic and electronic structure. Radiative transitions are locally excited by sequential inelastic electron tunneling from a metallic tip into selected discrete defect states in the WS 2 bandgap. Coupling to the optical far field is mediated by tip plasmons, which transduce the excess energy into a single photon. The applied tip-sample voltage determines the transition energy. Atomically resolved emission maps of individual point defects closely resemble electronic defect orbitals, the final states of the optical transitions. Inelastic charge carrier injection into localized defect states of two-dimensional materials provides a powerful platform for electrically driven, broadly tunable, atomic-scale single-photon sources.

74 ATOMIC AND MOLECULAR PHYSICS↗

Atomic‐Resolution Imaging of Halide Perovskites Using Electron Microscopy

Abstract Atomic‐resolution imaging of halide perovskites (HPs) using transmission electron microscopy (TEM) is challenging because of the sensitivity of their structures to the electron beam. In this article, recent achievements in this area are reviewed, covering both all‐inorganic and organic–inorganic hybrid HPs, with an emphasis on the specific imaging conditions that have proven to be effective in avoiding electron beam‐induced structural damage. The discussion focusses on the total electron dose that HPs can bear before being damaged and the effects of different imaging modes, accelerating voltages, and temperatures. The crucial role of a direct‐detection electron‐counting camera in reducing the required electron dose is outlined, which is indispensable for imaging extremely sensitive organic–inorganic hybrid perovskites. In addition to reviewing published works, the results of initial attempts to perform atomic‐resolution elemental mapping for an all‐inorganic HP and image a hybrid HP using scanning TEM are introduced. The preparation of a TEM specimen from macroscopic crystals or devices of HPs, which is very important for practical applications but has not yet received attention, is also discussed. This article aims to provide guidance on the acquisition of atomic‐resolution TEM images of HPs and inspire the development of more imaging technologies for sensitive materials.

Song, Kepeng↗