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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Radio phase characteristics of terrain from multipolarized synthetic aperture radar data

Recent advances in digital data acquisition and signal processing technology permit simultaneous measurement of the complex (amplitude and phase) radar backscatter from several polarization-diverse antennas. While absolute phase mesurements remain to be analyzed in detail. The differential phase of signals polarized parallel and perpendicular to the plane of incidence provide information on the scattering mechanisms that dominate the interaction of the radio waves with the terrain. Analysis of phase backscatter maps from a typical urban area yields a bimodal distribution with the two peaks separated by approximately 180 degrees, highly indicative of a dominant simple geometric one bounce-two bounce mechanism. Some maps of agricultural areas exhibit a similar distribution, however, other agricultural areas yield a distribution that, while still bimodal, consists of two peaks separated by about 110 deg. Still other agricultural areas exhibit a more complex distribution. All of the observed phase shifts appear to be independent of incidence angle from at least 20 deg to 55 deg, therefore the 110 degree shifts are inconsistent with both the geometric model used for the urban area and with common dielectric slab models.

Zebker, H. A.↗
DOE OSTI2024

S -matrix positivity without Lorentz invariance: a case study

We investigate the analytic structure of scattering amplitudes in theories in which Lorentz invariance is spontaneously broken. We do so by computing and studying the S-matrix for a simple example: a superfluid described by a complex scalar with quartic interactions. The computation is confined to tree-level, for there are no absolutely stable single-particle states, though the lifetime can be made long by lowering the chemical potential. For the 2 → 2 amplitude in center-of-mass configurations, not only is crossing symmetry violated, there appears a tree level branch cut for unphysical kinematics. Its appearance is a consequence of non-analyticity in the dispersion relation. The branch point defines a new scale in the problem, which scales inversely with the chemical potential. In this example, even derivatives of the forward amplitude are positive while odd derivatives are negative. This pattern can be understood in a general way in the limit of a small chemical potential, or weak Lorentz breaking.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

In situ coherent x-ray scattering reveals polycrystalline structure and discrete annealing events in strongly coupled nanocrystal superlattices

Solution-phase bottom up self-assembly of nanocrystals into superstructures such as ordered superlattices is an attractive strategy to generate functional materials of increasing complexity, including very recent advances that incorporate strong interparticle electronic coupling. While the self-assembly kinetics in these systems have been elucidated and related to the product characteristics, the weak interparticle bonding interactions suggest the superstructures formed could continue to order within the solution long after the primary nucleation and growth have occurred, even though the mechanism of annealing remains to be elucidated. Here, we use a combination of Bragg coherent diffractive imaging and x-ray photon correlation spectroscopy to create real-space maps of supercrystalline order along with a real-time view of the strain fluctuations in aging strongly coupled nanocrystal superlattices while they remain suspended and immobilized in solution. By combining the results, we deduce that the self-assembled superstructures are polycrystalline, initially comprising multiple nucleation sites, and that shear avalanches at grain boundaries continue to increase crystallinity long after growth has substantially slowed. This multimodal approach should be generalizable to characterize a breadth of materials in their native chemical environments, thus extending the reach of high-resolution coherent x-ray characterization to the benefit of a much wider range of physical systems. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
NASA NTRS2019

Introducing NASA Ames' New Infrared Optical Constant Facility. Determinations of Complex Refractive Indices for Titan Aerosol Analogs and Other Applications

A new optical constant facility has been developed at NASA Ames that will allow the determination of optical constants in the infrared of various materials, analogs of (exo)planetary hazes and cloud particles. Our facility is composed of a Fourier Transform Infrared (FTIR) spectrometer continuously covering the Near-IR to Far-IR range (from 0.74 to 200 μm), coupled to variable angle transmittance and reflectance accessories that allow the characterization of the scattering properties of non-homogeneous samples (laboratory (exo)planetary aerosol analogs, films, slabs of material, crystals, powders, etc.) over a wide incidence and emittance angle range (0-90 degrees). This new experimental setup allows the characterization of angular light distribution in both transmission and reflection measurements, and enables the determination of the complex indices of refraction, n and k, over the full NIR-FIR range via modeling of the laboratory measurements. The resulting refractive indices are critical input parameters in radiative transfer models, microphysical models, cloud models, protoplanetary disk simulations and other models used for the interpretation of observational data from past, current and future (exo)planetary NASA missions. Here we present a description of the facility along with the first determination of optical constants for Titan aerosol analogs produced in the Titan Haze Simulation (THS) experiment on COSmIC, a unique experimental setup developed at NASA Ames that allows the simulation of Titan’s complex atmospheric chemistry at Titan-like temperature (200 K). We also introduce a new study of the optical properties of ammonium-bearing phosphates, potential cloud particles forming in temperate exoplanets and brown dwarfs.

Sciamma-O'Brien, Ella M.↗
DOE OSTI2024

Effect of Collimation on Diffraction Signal-to-Background Ratios at a Neutron Diffractometer

High diffraction signal-to-background ratios (SBRs), the ratios of diffraction peak integrated intensity over its background intensity, are desired for a neutron diffractometer to acquire good statistics for diffraction pattern measurements and subsequent data analysis. For a given detector, while the diffraction peak signals primarily depend on the characteristics of neutron beam and sample coherent scattering, the background largely originates from the sample incoherent scattering and the scattering from the instrument space. In this work, we investigated the effect of collimation on neutron diffraction SBRs of Si powder measurements using one high-angle area detector bank coupled with six different collimation configurations in a large and complex instrument space at the engineering materials diffractometer VULCAN, SNS, ORNL. The results revealed that the diffraction SBRs can be significantly improved by a proper coarse collimator that leaves no gap between the detector and the collimator, and the improvement of SBRs by a fine radial collimator was remarkable with a proper coarse collimator in place but not distinguishable without one. It was also found that the diffraction SBRs were not effectively improved by adding neutron absorbing element boron to the fine radial collimator body, which indicates that either the absorption of secondary scattered neutrons by the added boron is insignificant or the collimator base material (resin and ABS) alone attenuates background scattering sufficiently. These findings could serve as a useful reference for diffractometer developers and/or operators to optimize their collimation to achieve higher diffraction SBRs.

Yu, Dunji↗
DOE OSTI2025

Accelerating resonant spectroscopy simulations using multishifted biconjugate gradient

Resonant spectroscopies, which involve intermediate states with finite lifetimes, provide important insights into collective excitations in quantum materials that are otherwise inaccessible. However, theoretical understanding in this area is often limited by the numerical challenges of solving Kramers-Heisenberg-type response functions for large-scale systems. To address this, we introduce a multishifted biconjugate gradient algorithm that exploits the shared structure of Krylov subspaces across spectra with varying incident energies, effectively reducing the computational complexity to that of linear spectroscopies. Both mathematical proofs and numerical benchmarks confirm that this algorithm substantially accelerates spectral simulations, achieving constant complexity independent of the number of incident energies, while ensuring accuracy and stability. This development provides a scalable, versatile framework for simulating advanced spectroscopies in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

An ultraviolet extinction study of the rho Ophiuchi dark cloud

Five-band ultraviolet spectrophotometry has been carried out for 54 stars in the upper Scorpius complex. Of these, 14 stars in the rho Ophiuchi dark cloud and 13 in the surrounding area are found to be free of spectral peculiarities and contamination by scattered light from nearby bright stars. The dark cloud stars give extinction curves which are significantly lower than the average extinction curves derived by other investigators and also those observed for localized regions such as the area around Cygnus X-1 and the Cepheus OB III cluster. This implies that the dust in the upper Scorpius region, especially that in the rho Ophiuchi dark cloud has larger average size than the normal interstellar medium. R, the ratio of total-to-selective extinction, is found to be 4.2. The effects of a lower extinction curve on the chemistry of a dark cloud is also briefly discussed.

Wu, C.-C.↗
NASA NTRS1985

The Sigma-D relation for shell-like supernova remnants

A large fraction of Galactic supernova remnants, including a dozen shell-like remnants, can be associated with large molecular clouds or cloud complexes with well-determined distances. The Sigma-D relation for these shell-like remnants, derived using distances to the associated molecular clouds, shows substantially smaller scatter than previous relations and establishes a good distance scale for shell-like remnants from Type II events.

Huang, Y.-L.↗
NASA NTRS1993

Contamination on LDEF: Sources, distribution, and history

An introduction to contamination effects observed on the Long Duration Exposure Facility (LDEF) is presented. The activities reported are part of Boeing's obligation to the LDEF Materials Special Investigation Group. The contamination films and particles had minimal influence on the thermal performance of the LDEF. Some specific areas did have large changes in optical properties. Films also interfered with recession rate determination by reacting with the oxygen or physically shielding underlying material. Generally, contaminant films lessen the measured recession rate relative to 'clean' surfaces. On orbit generation of particles may be an issue for sensitive optics. Deposition on lenses may lead to artifacts on photographic images or cause sensors to respond inappropriately. Particles in the line of sight of sensors can cause stray light to be scattered into sensors. Particles also represent a hazard for mechanisms in that they can physically block and/or increase friction or wear on moving surfaces. LDEF carried a rather complex mixture of samples and support hardware into orbit. The experiments were assembled under a variety of conditions and time constraints and stored for up to five years before launch. The structure itself was so large that it could not be baked after the interior was painted with chemglaze Z-306 polyurethane based black paint. Any analysis of the effects of molecular and particulate contamination must account for a complex array of sources, wide variation in processes over time, and extreme variation in environment from ground to launch to flight. Surface conditions at certain locations on LDEF were established by outgassing of molecular species from particular materials onto adjacent surfaces, followed by alteration of those species due to exposure to atomic oxygen and/or solar radiation.

Pippin, Gary↗
NASA NTRS2005

Tholins as Coloring Agents on Outer Solar System Bodies

The red colors of many solid bodies in outer Solar System may be caused by tholins, which are refractory organic complexes, incorporated in their surface materials. Tholins synthesized in the laboratory are shown to match the colors of these bodies when their optical properties are used in rigorous scattering models. We review recent successes in modeling the spectra of icy outer Solar System bodies with tholins as the coloring agents. New work on the systematic laboratory synthesis and analysis of tholins made by cold plasma discharge in mixtures of gaseous CH4/N2 shows that the composition of the tholin depends strongly on the pressure in the reaction chamber, and only weakly on the mixing fraction of CH4 relative to N2. In tholins made at high pressure (e.g., 23 hPa) the abundance of aliphatic hydrocarbons is greater and the abundance of aromatic hydrocarbons is less than in tholins made at low pressure (e.g., 0.13 hPa). Tholins made at low deposition pressures show a greater abundance of N-H bonds.

Cruikshank, Dale P.↗
NASA NTRS1999

Design Tool Developed for Probabilistic Modeling of Ceramic Matrix Composite Strength

Ceramic matrix composites are being evaluated as candidate materials for many high temperature applications such as engine combustor liners for the High-Speed Civil Transport (HSCT). They are required to have an assured life of several thousand hours. Estimating the reliability of these components is quite a complex process and requires knowledge of the uncertainties that occur at various scales. The properties of ceramic matrix composites (CMC) are known to display a considerable amount of scatter due to variations in fiber/matrix properties, interphase/coating properties, bonding, amount of matrix voids, and many geometry- and fabrication-related parameters such as ply thickness and ply orientations. The objective of this research effort is to account for these uncertainties in a formal way by probabilistically analyzing both the stiffness- and strength related properties of CMC's. In current deterministic approaches, uncertainties are usually accounted for by safety factors. This approach often yields overly conservative designs, thereby reducing the potential of many advanced composite materials.

Murthy, Pappu L. N.↗
NASA NTRS1992

A comparison between backscattering models for rough surfaces

The ease of applicability of three scattering models is examined. This is accomplished by considering the time taken to numerically evaluate these models and by comparing their predictions as a function of surface roughness, frequency, incident angle and polarization with the moment-method solution in two dimensions. The complexity of the analytic models in three dimensions and their analytic reduction to high- and low-frequency regions are also compared. The selected models are an integral equation model (IEM), a full wave model (FWM), and the phase perturbation model (PPM). It is noted that in three dimensions, the full-wave model requires an evaluation of a tenfold integral and the phase perturbation model requires a fourfold and a twofold integral, whereas the integral equation model is an algebraic equation in like polarization under single scattering conditions. It is found that both the IEM and PPM agree with the moment-method solution from low to high frequencies numerically.

Chen, K. S.↗
DOE OSTI2024

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

The development of experimental methods and apparatuses capable of promoting atomically precise material manipulations holds great promise for realizing the ultimate limit of feature miniaturization in materials and devices. The ability to modify materials atom by atom is anticipated to usher in new technologies in areas as diverse as separation science, medicine, and quantum information science. Historically, scanning probe-based techniques have been the most prominent approaches in this space. However, these methods are best suited for the manipulation of surface-exposed regions of materials, as the strong perturbations required for bond scission are delivered most effectively to atoms in the near-proximity to the scanning probe. In contrast, convergent electron beams with energies tuned slightly below the threshold for inducing irreversible knock-on damage have recently been employed (within scanning transmission electron microscopy) to promote atomic-scale bond rearrangements in various beam-stable solids. Currently, however, the efficiency and selectivity of beam-induced atomic manipulation processes with focused electron beams are such that long irradiation times are required to induce a desired atomic rearrangement. With a better understanding of the underlying physics dictating the outcome of a given irradiation event, methods can be devised to improve the efficiency of these techniques so that their promise can be fully realized through widespread adoption.To this end, this Account details our recent efforts to develop and apply tractable first-principles simulation approaches for studying the response of materials to electric beam-like external electric potentials applied in real space. We briefly review the concepts and capabilities in the area of atomically precise materials manipulation and review the early demonstrations of accomplishments in this area, focusing on studies using scanned convergent electron beam probes in particular. We expound upon the depth of the challenge and identify critical shortcomings of theoretical methods that have previously been employed in the simulation of beam-induced processes. We then describe the computational methods that we have generalized from the concepts and tools most commonly applied to the study of molecular photochemistry and how our adaptations of these methods can be employed to capture the relevant dynamical phenomena for beam-induced processes ranging from the initial electron scattering to the ensuing multistate reactions. Here, we contextualize these methods within the current state of the art in this area, which has historically focused primarily on the simulation of inelastic image formation in the electron microscope for the purpose of interpreting the results of quantitative electron microscopy experiments. We demonstrate that the spatial distribution of state-specific excitation rates due to the presence of an external (probe) electric charge is inhomogeneous, such that irradiation at particular locations in materials can favor specific electronic transitions (and disallow others). In addition to the potential for excited-state reaction pathways to be accessed through the initial inelastic scattering of the tightly focused electron beam from the targeted atoms, we also identify favorable conditions for the electronically nonadiabatic evolution of the highly vibrationally excited system to open complex multistate reaction pathways. Implications of the early results for understanding the mechanisms and potential routes to improved efficiency and selectivity in beam-induced reactions are discussed. We conclude with a summary of the current state of theory and modeling capabilities in this area and provide our perspective on future directions for theoretical and experimental developments that we view as crucial to advancing the use of convergent electron beams in mode-specific, atomically precise platforms for direct-write materials modifications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemistry and Interfacial Structure Promoting Quasi-van der Waals Epitaxial Growth of WS 2 Nanosheets on Sapphire for Prospective Application in Field-Effect Transistors

How do chemical and structural modifications to the supporting crystal surface affect the subsequent van der Waals (vdW) or quasi(Q)-vdW epitaxial growth of 2D nanocrystals? Developing an atomic-scale picture of such an interfacial system is crucial for understanding its impact on the physical and chemical properties of the supported 2D materials. The elucidation of the interfacial structure and chemistry needed to promote the Q-vdW epitaxial growth of 2D tungsten disulfide (WS 2 ) nanocrystals contributes to the growth mechanism understanding, thus pushing forward the integration of such atomically thin semiconductors toward real field-effect transistor applications. In addition to an atomic-force microscopy top view, we showcase a combination of X-ray techniques for a top-to-bottom investigation of the complexities of the buried interface structures. Furthermore, this approach uses X-ray photoelectron spectroscopy, X-ray standing wave excited X-ray fluorescence, and crystal truncation rod scattering to produce a highly resolved chemical-state-specific 3D atomic map for the extended interface structure of WS 2 /α-Al 2 O 3 (001). Employing these detailed analysis methods, along with density functional theory to further refine the picoscale structure, we demonstrate how two different types of interface engineering during the pregrowth stage lead to significant differences in the chemical and structural modifications to the terminal surface of c-face sapphire, which in turn leads to substantial differences in the submonolayer growth of supported WS 2 2D nanocrystals in terms of lateral domain sizes, epitaxial registry, vdW gaps, and stability.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Inversion methods in temperature and aerosol remote sounding: Their commonality and differences, and some unexplored approaches

The two remote sensing problems of temperature profiling and aerosol characterization (complex refractive index, size distribution) are considered. These problems differ only in the explicit form of the source function which, for aerosols, includes contributions from both single and multiple scattering processes. When the observables are the spectral extinction or the single scattering of the source radiation, the associated problem is completely analogous to the linearized temperature inversion problem. Methods for obtaining the solution of the linear problem are classified following three main categories: (1) derivation of properties that all solutions satisfy, which must then be properties of the actual solution; (2) regularization of the ill-posed problem; and (3) data changes within their domain of uncertainty in order to avoid the basic instability. A number of unexplored methods are indicated.

Fymat, A. L.↗
NASA NTRS1993

Phase holograms in PMMA with proximity effect correction

Complex computer generated phase holograms (CGPH's) have been fabricated in PMMA by partial e-beam exposure and subsequent partial development. The CGPH was encoded as a sequence of phase delay pixels and written by the JEOL JBX-5D2 E-beam lithography system, a different dose being assigned to each value of phase delay. Following carefully controlled partial development, the pattern appeared rendered in relief in the PMMA, which then acts as the phase-delay medium. The exposure dose was in the range 20-200 micro-C/sq cm, and very aggressive development in pure acetone led to low contrast. This enabled etch depth control to better than plus or minus lambda(sub vis)/60. That result was obtained by exposing isolated 50 micron square patches and measuring resist removal over the central area where the proximity effect dose was uniform and related only to the local exposure. For complex CGPH's with pixel size of the order of the e-beam proximity effect radius, the patterns must be corrected for the extra exposure caused by electrons scattered back up out of the substrate. This has been accomplished by deconvolving the two-dimensional dose deposition function with the desired dose pattern. The deposition function, which plays much the same role as an instrument response function, was carefully measured under the exact conditions used to expose the samples. The devices fabricated were designed with 16 equal phase steps per retardation cycle, were up to 1 cm square, and consisted of up to 100 million 0.3-2.0 micron square pixels. Data files were up to 500 MB long and exposure times ranged to tens of hours. A Fresnel phase lens was fabricated that had diffraction limited optical performance with better than 85 percent efficiency.

Maker, Paul D.↗
NASA NTRS2003

Limitations on Space-based Air Fluorescence Detector Apertures obtained from IR Cloud Measurements

The presence of clouds between an airshower and a space-based detector can dramatically alter the measured signal characteristics due to absorption and scattering of the photonic signals. Furthermore, knowledge of the cloud cover in the observed atmosphere is needed to determine the instantaneous aperture of such a detector. Before exploring the complex nature of cloud-airshower interactions, we examine a simpler issue. We investigate the fraction of ultra-high energy cosmic ray events that may be expected to occur in volumes of the viewed atmosphere non-obscured by clouds. To this end, we use space-based IR data in concert with Monte Carlo simulated 10(exp 20) eV airshowers to determine the acceptable event fractions. Earth-observing instruments, such as MODIS, measure detailed cloud configurations via a CO2-slicing technique that can be used to determine cloud-top altitudes over large areas. Thus, events can be accepted if their observed 3-dimensional endpoints occur above low clouds as well as from areas of cloud-free atmosphere. An initial analysis has determined that by accepting airshowers that occur above low clouds, the non-obscured acceptance can be increased by approximately a factor of 3 over that obtained using a cloud-free criterion.

White, Nicholas E.↗