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DOE OSTI2022

Single-ion properties of the transverse-field Ising model material CoNb 2 O 6

We report CoNb 2 O 6 is one of the few materials that is known to approximate the one-dimensional transverse-field Ising model (1D-TFIM) near its quantum critical point. It has been inferred that Co 2+ acts as a pseudospin 1/2 with anisotropic exchange interactions that are largely Ising-like, enabling the realization of the TFIM. However, the behavior of CoNb 2 O 6 is known to diverge from the ideal TFIM under transverse magnetic fields that are far from the quantum critical point, requiring the consideration of additional anisotropic, bond-dependent (Kitaev-like) terms in the microscopic pseudospin-1/2 Hamiltonian. These terms are expected to be controlled in part by single-ion physics, namely the wave function for the pseudospin-1/2 angular momentum doublet. Here, we present the results of both inelastic neutron scattering measurements and electron paramagnetic resonance spectroscopy on CoNb 2 O 6 , which elucidate the single-ion physics of Co 2+ in CoNb 2 O 6 for the first time. We find that the system is well-described by an intermediate spin-orbit coupled Hamiltonian, and the ground state is a well-isolated Kramers doublet with an anisotropic g tensor. We provide the approximate wave functions for this doublet, which we expect will be useful in theoretical investigations of the anisotropic exchange interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Nanomagnonic Cavities for Strong Spin-Magnon Coupling and Magnon-Mediated Spin-Spin Interactions

We present a theoretical approach to use ferromagnetic or ferrimagnetic nanoparticles as microwave nanomagnonic cavities to concentrate microwave magnetic fields into deeply subwavelength volumes ~ 10 –13 mm 3 . In this work, we show that the field in such nanocavities can efficiently couple to isolated spin emitters (spin qubits) positioned close to the nanoparticle surface reaching the single magnon-spin strong-coupling regime and mediate efficient long-range quantum state transfers between isolated spin emitters. Nanomagnonic cavities thus pave the way toward magnon-based quantum networks and magnon-mediated quantum gates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1984

Radiative tearing - Magnetic reconnection on a fast thermal-instability time scale

Two energy modification mechanisms which are known to occur in sheared magnetic fields are the tearing and thermal instabilities. These processes can be studied separately with formalisms incorporating just the effective driving mechanism of interest (finite resistivity for the tearing mode and unstable radiation for the thermal mode). A model which includes both effects, and a temperature-dependent resistivity, indicates that modified forms of these two instabilities may coexist for identical physical conditions. When they are isolated computationally, one can show that their limiting growth rates are approximately those of the uncoupled instabilities. The spatial structure and energy content of these two new hybrid processes are then individually examined and are found to differ considerably from those obtained from separate treatments of the driving mechanisms. The faster radiative instability, which has a hydromagnetically scaled growth rate like the condensation mode of the thermal instability, is shown to involve a substantial amount of magnetic field reconnection. This can be partially explained by a large temperature drop (or resistivity rise) at the X-point. The island width of the Coulomb-coupled radiative mode is 30 percent of that produced by a comparable level of the slower tearing instability. In addition, the perturbed magnetic energy in the radiative instability is 5 times that of the perturbed thermal energy, indicating an appreciable modification of the initial magnetic structure.

Steinolfson, R. S.↗

DOE OSTI2022

Electric-field control of the nucleation and motion of isolated three-fold polar vertices

Recently various topological polar structures have been discovered in oxide thin films. Despite the increasing evidence of their switchability under electrical and/or mechanical fields, the dynamic property of isolated ones, which is usually required for applications such as data storage, is still absent. Here, we show the controlled nucleation and motion of isolated three-fold vertices under an applied electric field. At the PbTiO 3 /SrRuO 3 interface, a two-unit-cell thick SrTiO 3 layer provides electrical boundary conditions for the formation of three-fold vertices. Utilizing the SrTiO 3 layer and in situ electrical testing system, we find that isolated three-fold vertices can move in a controllable and reversible manner with a velocity up to ~629 nm s -1 . Microstructural evolution of the nucleation and propagation of isolated three-fold vertices is further revealed by phase-field simulations. This work demonstrates the ability to electrically manipulate isolated three-fold vertices, shedding light on the dynamic property of isolated topological polar structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1993

Occurrence and possible significance of rare Ti oxides (Magneli phases) in carbonaceous chondrite matrices

Rare, ultrafine-grained Ti oxides (Ti3O5 and the Magneli phases, Ti5O9 and Ti8O15) have been identified by TEM in the CM2 carbonaceous chondrite, Bells, and a carbonaceous chondrite matrix clast from the Nilpena polymict ureilite. In both meteorites the Ti oxides occur in the matrix as isolated grains and clusters of two or more grains. They are euhedral in shape and have grain sizes of 0.05-0.3 micron. Magneli phases have been recently shown to be a common component in some interplanetary dust particles, but this is the first reported occurrence in a meteorite. The morphological properties and grain size of the Ti oxides are consistent with formation by vapor phase condensation either within the solar nebula or possibly in a presolar environment.

Brearley, Adrian J.↗

NASA NTRS2011

Visual Object Recognition and Tracking of Tools

A method has been created to automatically build an algorithm off-line, using computer-aided design (CAD) models, and to apply this at runtime. The object type is discriminated, and the position and orientation are identified. This system can work with a single image and can provide improved performance using multiple images provided from videos. The spatial processing unit uses three stages: (1) segmentation; (2) initial type, pose, and geometry (ITPG) estimation; and (3) refined type, pose, and geometry (RTPG) calculation. The image segmentation module files all the tools in an image and isolates them from the background. For this, the system uses edge-detection and thresholding to find the pixels that are part of a tool. After the pixels are identified, nearby pixels are grouped into blobs. These blobs represent the potential tools in the image and are the product of the segmentation algorithm. The second module uses matched filtering (or template matching). This approach is used for condensing synthetic images using an image subspace that captures key information. Three degrees of orientation, three degrees of position, and any number of degrees of freedom in geometry change are included. To do this, a template-matching framework is applied. This framework uses an off-line system for calculating template images, measurement images, and the measurements of the template images. These results are used online to match segmented tools against the templates. The final module is the RTPG processor. Its role is to find the exact states of the tools given initial conditions provided by the ITPG module. The requirement that the initial conditions exist allows this module to make use of a local search (whereas the ITPG module had global scope). To perform the local search, 3D model matching is used, where a synthetic image of the object is created and compared to the sensed data. The availability of low-cost PC graphics hardware allows rapid creation of synthetic images. In this approach, a function of orientation, distance, and articulation is defined as a metric on the difference between the captured image and a synthetic image with an object in the given orientation, distance, and articulation. The synthetic image is created using a model that is looked up in an object-model database. A composable software architecture is used for implementation. Video is first preprocessed to remove sensor anomalies (like dead pixels), and then is processed sequentially by a prioritized list of tracker-identifiers.

English, James↗

DOE OSTI2020

Comparative genomics of pyrophilous fungi reveals a link between fire events and developmental genes

Forest fires generate a large amount of carbon that remains resident on the site as dead and partially ‘pyrolysed’ (i.e. burnt) material that has long residency times and constitutes a significant pool in fire–prone ecosystems. In addition, fire–induced hydrophobic soil layers, caused by condensation of pyrolysed waxes and lipids, increase post–fire erosion and can lead to long–term productivity losses. A small set of pyrophilous fungi dominate post–fire soils and are likely to be involved with the degradation of all these compounds, yet almost nothing is currently known about what these fungi do or the metabolic processes they employ. In this study, we sequenced and analyzed genomes from fungi isolated after Rim fire near Yosemite National Park in 2013 and showed the enrichment/expansion of CAZymes and families known to be involved in fruiting body initiation when compared to other basidiomycete fungi. We found gene families potentially involved in the degradation of the hydrophobic layer and pyrolysed organic matter, such as hydrophobic surface binding proteins, laccases (AA1_1), xylanases (GH10, GH11), fatty acid desaturases and tannases. Furthermore, pyrophilous fungi are important actors to restate the soil's functional capabilities.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2011

Post-Flight Microbial Analysis of Samples from the International Space Station Water Recovery System and Oxygen Generation System

The Regenerative, Environmental Control and Life Support System (ECLSS) on the International Space Station (ISS) includes the the Water Recovery System (WRS) and the Oxygen Generation System (OGS). The WRS consists of a Urine Processor Assembly (UPA) and Water Processor Assembly (WPA). This report describes microbial characterization of wastewater and surface samples collected from the WRS and OGS subsystems, returned to KSC, JSC, and MSFC on consecutive shuttle flights (STS-129 and STS-130) in 2009-10. STS-129 returned two filters that contained fluid samples from the WPA Waste Tank Orbital Recovery Unit (ORU), one from the waste tank and the other from the ISS humidity condensate. Direct count by microscopic enumeration revealed 8.38 x 104 cells per mL in the humidity condensate sample, but none of those cells were recoverable on solid agar media. In contrast, 3.32 x lOs cells per mL were measured from a surface swab of the WRS waste tank, including viable bacteria and fungi recovered after S12 days of incubation on solid agar media. Based on rDNA sequencing and phenotypic characterization, a fungus recovered from the filter was determined to be Lecythophora mutabilis. The bacterial isolate was identified by rDNA sequence data to be Methylobacterium radiotolerans. Additional UPA subsystem samples were returned on STS-130 for analysis. Both liquid and solid samples were collected from the Russian urine container (EDV), Distillation Assembly (DA) and Recycle Filter Tank Assembly (RFTA) for post-flight analysis. The bacterium Pseudomonas aeruginosa and fungus Chaetomium brasiliense were isolated from the EDV samples. No viable bacteria or fungi were recovered from RFTA brine samples (N= 6), but multiple samples (N = 11) from the DA and RFTA were found to contain fungal and bacterial cells. Many recovered cells have been identified to genus by rDNA sequencing and carbon source utilization profiling (BiOLOG Gen III). The presence of viable bacteria and fungi from WRS and OGS subsystems demonstrates the need for continued monitoring of ECLSS during future ISS operations and investigation of advanced antimicrobial controls.

Birmele, Michele N.↗

DOE OSTI2021

Isolated Metal Sites in Cu–Zn–Y/Beta for Direct and Selective Butene-Rich C 3+ Olefin Formation from Ethanol

Direct and selective production of C 3+ olefins from bioethanol remains a critical challenge and important for the production of renewable transportation fuels such as aviation biofuels. In this study, we report a Cu–Zn–Y/Beta catalyst for selective ethanol conversion to butene-rich C 3+ olefins (88% selectivity at 100% ethanol conversion, 623 K), where the Cu, Zn, and Y sites are all highly dispersed. The ethanol-to-butene reaction network includes ethanol dehydrogenation, aldol condensation to crotonaldehyde, and hydrogenation to butyraldehyde, followed by further hydrogenation and dehydration reactions to form butenes. Cu sites play a critical role in promoting hydrogenation of the crotonaldehyde C═C bond to form butyraldehyde in the presence of hydrogen, making this a distinctive pathway from crotyl alcohol-based ethanol-to-butadiene reaction. Reaction rate measurements in the presence of ethanol and acetaldehyde (543 K, 12 kPa ethanol, 1.2 kPa acetaldehyde, 101.9 kPa H 2 ) over monometallic Zn/Beta and Y/Beta catalysts indicate that Y sites have higher C–C coupling rates than over Zn sites (initial C–C coupling rate, 6.1 × 10 –3 mol mol Y –1 s –1 vs 1.2 × 10 –3 mol mol Zn –1 s –1 ). Further, Lewis-acidic Y-site densities over Cu–Zn–Y/Beta with varied Y loadings are linearly correlated with the initial C–C coupling rates, suggesting that Lewis-acidic Y sites are the predominant sites that catalyze C–C coupling in Cu–Zn–Y/Beta catalysts. Control experiments show that the dealuminated Beta support is important to form higher density of Lewis-acidic Y sites in comparison with other supports such as silica, or deboronated MWW despite similar atomic dispersion of Y sites and Y–O coordination numbers over these supports, leading to more than 9 times higher C–C coupling rate per mole Y over dealuminated Beta relative to other supports. This study highlights the significance of unique combination of metal sites in contributing to the selective valorization of ethanol to C 3+ olefins, motivating for exploring multifunctional zeolite catalysts, where the presence of multiple sites with varying reactivities and functions allows for controlling the predominant molecular fluxes toward the desired products in complex reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2016

Sublimation as a Landform-Shaping Process on Pluto

Several icy-world surfaces in the solar system exhibit sublimation-driven landform modification erosion, condensation, and mass wasting [1]. In addition to the obvious role of gravity, mass wasting can work in conjunction with internal disaggregation of a landform's relief-supporting material through the loss (or deteriorating alteration) of its cohesive matrix. To give a conspicuous example, Callisto's landscape exhibits widespread erosion from sublimation erosion of slopes, which results in smooth, undulating, low albedo plains composed of lag deposits, with isolated high albedo pinnacles perched on remnants of crater rims due to the re-precipitation of ice on local cold traps [2, 3, 4]. Sublimation-driven mass wasting was anticipated on Pluto prior to the encounter (see refs in [5]). Here we report on several landscapes on Pluto we interpret to be formed, or at least heavily modified, by sublimation erosion.

Properties of Ice at Pluto↗

NASA NTRS1993

The morphology of and locations of star formation in impact induced ring galaxies

Observed ring galaxies appear to fall into two major types. The first tends to consist of isolated galaxies which display a smooth, apparently circular ring and a central nucleus. These have been variously classified as R(S) by de Vaucouleurs (1959) and as type O by Few and Madore (1986). The second class of ring galaxy nearly always has a close companion of comparable size (no less than about one tenth that of the ring galaxy). In these objects the ring is knotty in appearance, is usually elliptical, even when deprojected on the sky, and is often open on one side, having a 'horse shoe' or 'banana' shape. The nucleus does not usually appear at the center of the ring and is sometimes apparently absent, giving rise to an 'empty ring' galaxy. deVaucouleurs et al. (1976) designated this second type as RING, while Few and Madore (1986) have classified similar galaxies as P type. These galaxies have elevated far IR emission, bright HII regions, and blue spectral colors. The different environments of the two types or ring galaxy, together with their overall morphological and spectral differences suggest that the R(S)/O type are most probably the result of an instability that occurs in isolated galaxies, whereas the RING/P type appears to be the result of a recent collision between two roughly equal mass objects, at least one of which is a disk galaxy. Theys and Spiegel (1976) studied a sample of this latter type and identified three subclasses: RE: galaxies with crisp, empty rings; RN: galaxies like those of RE but with off-center nuclei; RK: galaxies having single dominant knots or condensations in the rings. A presentation of a preliminary understanding of the connections between these different observed forms in terms of parameters which are intrinsic to the galaxy system, such as time since collision and impact parameter, and in terms of our line of sight view is the purpose of this paper. Here we report results we have obtained from three dimensional computer simulations of collisions between equal mass galaxies, one of which is a rotating, disk galaxy containing both gas and stars and the other is an elliptical containing stars only. We have used a combined n-body/SPH program (see Balsara, 1990) to model fully self consistent models in which the halo mass is 2.5 times that of the disk and gas comprises ten percent of the disk mass.

Lamb, Susan A.↗

NASA NTRS2004

Strategy Developed for Selecting Optimal Sensors for Monitoring Engine Health

Sensor indications during rocket engine operation are the primary means of assessing engine performance and health. Effective selection and location of sensors in the operating engine environment enables accurate real-time condition monitoring and rapid engine controller response to mitigate critical fault conditions. These capabilities are crucial to ensure crew safety and mission success. Effective sensor selection also facilitates postflight condition assessment, which contributes to efficient engine maintenance and reduced operating costs. Under the Next Generation Launch Technology program, the NASA Glenn Research Center, in partnership with Rocketdyne Propulsion and Power, has developed a model-based procedure for systematically selecting an optimal sensor suite for assessing rocket engine system health. This optimization process is termed the systematic sensor selection strategy. Engine health management (EHM) systems generally employ multiple diagnostic procedures including data validation, anomaly detection, fault-isolation, and information fusion. The effectiveness of each diagnostic component is affected by the quality, availability, and compatibility of sensor data. Therefore systematic sensor selection is an enabling technology for EHM. Information in three categories is required by the systematic sensor selection strategy. The first category consists of targeted engine fault information; including the description and estimated risk-reduction factor for each identified fault. Risk-reduction factors are used to define and rank the potential merit of timely fault diagnoses. The second category is composed of candidate sensor information; including type, location, and estimated variance in normal operation. The final category includes the definition of fault scenarios characteristic of each targeted engine fault. These scenarios are defined in terms of engine model hardware parameters. Values of these parameters define engine simulations that generate expected sensor values for targeted fault scenarios. Taken together, this information provides an efficient condensation of the engineering experience and engine flow physics needed for sensor selection. The systematic sensor selection strategy is composed of three primary algorithms. The core of the selection process is a genetic algorithm that iteratively improves a defined quality measure of selected sensor suites. A merit algorithm is employed to compute the quality measure for each test sensor suite presented by the selection process. The quality measure is based on the fidelity of fault detection and the level of fault source discrimination provided by the test sensor suite. An inverse engine model, whose function is to derive hardware performance parameters from sensor data, is an integral part of the merit algorithm. The final component is a statistical evaluation algorithm that characterizes the impact of interference effects, such as control-induced sensor variation and sensor noise, on the probability of fault detection and isolation for optimal and near-optimal sensor suites.

Source record↗

DOE OSTI2020

Possible role of grain-boundary and dislocation structure for the magnetic-flux trapping behavior of niobium: A first-principles study

In this work, first-principles methods were used to understand magnetic flux trapping at vacancies, dislocations, and grain boundaries in high-purity superconducting niobium. Full-potential linear augmented plane-wave methods were applied in progressively greater complexity, starting at simple vacancies and extending to screw dislocations and tilt grain boundaries to analyze the effects of magnetic field on the superconducting state surrounding these defects. Density-functional theory calculations identified changes in electronic structure at the dislocation core and different types of symmetric tilt grain boundaries relative to bulk niobium. Electron redistribution enhanced nonparamagnetic effects and thus perturb superconductivity, resulting in local conditions suitable for premature flux penetration and subsequently flux pinning. Since the coherence length of superconducting niobium at 0 K is significantly larger than the lattice parameter, the effects of line and planar defects in niobium are predicted to be stronger for defect clusters than single defects in isolation, which is consistent with recent experimental observations. Controlling accumulation or depletion of charge at the defects, e.g., by segregation of an impurity atom, can mitigate these tendencies thus increasing the quality of superconducting niobium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Mapping nanocrystal orientations via scanning Laue diffraction microscopy for multi-peak Bragg coherent diffraction imaging

The recent commissioning of a movable monochromator at the 34-ID-C endstation of the Advanced Photon Source has vastly simplified the collection of Bragg coherent diffraction imaging (BCDI) data from multiple Bragg peaks of sub-micrometre scale samples. Laue patterns arising from the scattering of a polychromatic beam by arbitrarily oriented nanocrystals permit their crystal orientations to be computed, which are then used for locating and collecting several non-co-linear Bragg reflections. The volumetric six-component strain tensor is then constructed by combining the projected displacement fields that are imaged using each of the measured reflections via iterative phase retrieval algorithms. Complications arise when the sample is heterogeneous in composition and/or when multiple grains of a given lattice structure are simultaneously illuminated by the polychromatic beam. Here, a workflow is established for orienting and mapping nanocrystals on a substrate of a different material using scanning Laue diffraction microscopy. The capabilities of the developed algorithms and procedures with both synthetic and experimental data are demonstrated. The robustness is verified by comparing experimental texture maps obtained with Laue diffraction microscopy at the beamline with maps obtained from electron back-scattering diffraction measurements on the same patch of gold nanocrystals. Such tools provide reliable indexing for both isolated and densely distributed nanocrystals, which are challenging to image in three dimensions with other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Two-dimensional multifunctional materials from endohedral fullerenes

A multifunctional two-dimensional (2D) material is theoretically predicted based on systematic ab initio calculations and model simulations for the honeycomb lattice of endohedral fullerene W@C 28 molecules. It has structural bistability, ferroelectricity, multiple magnetic phases, and excellent valley characters and can be easily functionalized by the proximity effect with magnetic isolators such as MnTiO 3 . Furthermore, we may also manipulate the valley Hall and spin transport properties by selectively switching a few W@C 28 molecules to the metastable phase. These conclusions contribute to integrating different functions in a single 2D material for technological innovations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Rapid growth of anthropogenic organic nanoparticles greatly alters cloud lifecycle in the Amazon rainforest

Atmospheric nanoparticles can significantly influence Earth’s climate if they grow to sizes large enough to nucleate cloud droplets. While the contribution of extremely low volatility vapors to nanoparticle growth has been discussed extensively, the role of semivolatile organics has been largely overlooked. Here we examine the growth and impacts of air pollution nanoparticles from an isolated metropolis amidst the Amazon rainforest. Although extremely low volatility organics are necessary for the initial growth of nanoparticles, model analysis suggests that dynamic gas-particle partitioning of semivolatile oxidation products of anthropogenic and natural hydrocarbons is predominantly responsible for the observed rapid growth to 50 nm. Furthermore, cloud-resolving simulations demonstrate that the grown particles appreciably modify shallow cloud droplet size distribution, suppress precipitation, and enhance the transition to deep clouds. With condensable semivolatile organics typically formed in greater proportion, similar nanoparticle growth and impacts on clouds could likely occur in heavily urbanized forested regions globally.

Zaveri, Rahul A↗

DOE OSTI2020

DATASET: Rapid growth of anthropogenic organic nanoparticles greatly alters cloud lifecycle in the Amazon rainforest

Zaveri, Rahul A↗

NASA NTRS1992

Observations of Mars using Hubble Space Telescope

The lack of a continuous record of Martian meteorology or of volatile cycles on Mars for extended periods of several Martian years seriously hinders efforts to understand the physics of the Martian atmosphere and surface system. The spacecraft observations are limited to only a few isolated time periods, and the Earth based record is limited by the relatively short periods surrounding oppositions when telescopic observations can yield useful data. To remedy this situation, the authors have embarked on a three year program of Mars observations using the Hubble Space Telescope (HST). Several scientific investigations are being carried out using the images, including: a study of the albedo variations; unit mapping of spectral reflectances; determination of optical depths due to aerosols and condensates; a study of the properties of condensate clouds and hoods; comparison of surface and atmospheric features; observation of size and shape of the polar caps; and investigation of surface atmospheric phenomena.

James, Philip B.↗