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At least 451 records · Page 25

Investigation of MAGSAT and TRIAD magnetometer data to provide corrective information on high-lattitude external fields

Disturbances in the MAGSAT magnetometer data set due to high latitude phenomena were evaluated. Much of the categorization of disturbances due to Birkeland currents, ionospheric Hall currents, fine structure and wave phenomena was done with the MAGSAT data catalog. A color graphics technique was developed for the display of disturbances from multiple orbits, from which one can infer a 'global-image' of the current systems of the auroral zone. The MAGSAT 4/81 magnetic field model appears to represent the Earth's main field at high latitudes very well for the epoch 1980. MAGSAT's low altitude allows analysis of disturbances in the magnetometer data due to ionospheric electrojet currents. These current distributions were modeled properly for single events as a precursor to the inference of the Birkeland current system. MAGSAT's orbit was approximately shared with that of the Navy/APL TRIAD satellite. This allowed space-time studies of the magnetic disturbance signatures to be performed, the result being an approximately 75% agreement in, as well as high frequency of, signatures due to Birkeland currents. Thus the field-aligned currents are a steady-state participant in the Earth's magnetospheric current system.

Potemra, T. A.↗

Phase transition energetics-based mass loss modeling of chondritic Near Earth Objects

Mitigating potentially hazardous asteroids relies on accurate knowledge of their composition and critical physical characteristics such as shape and mass. Ground-based observatories and sample return missions in recent years have focused on such characterization to track Near Earth Objects. Historically, entry speeds of asteroids or mass change due to break-up/airburst have been considered in risk assessment studies as critical parameters. To this effect, most hydrocode simulations that consider energy deposition techniques rely on gross meteor modeling with simplistic spherical shapes while neglecting heat of ablation considerations. This is the general approach for fragment-cloud, pancake and hybrid fragmentation models. Alternatively, aerothermal fragmentation modeling that accounts for meteoritic shape change have typically focused on environmental modeling to understand break-up points primarily due to radiative heating. A physics-based risk assessment could benefit by modeling the environment and material response of typical meteoroidal materials as precursors to fragmentation. A greater focus on the material response to applied environmental heating will be emphasized here. This work presents a forward analysis of thermal and material response of stony meteorites by ac-counting for mass loss and shape change effects through a boundary layer formalism. This allows for simulations starting from simplistic shapes that could eventually lead to alterations in contours due to ablation. These effects would be characterized through phase transitions of the surface, such as melting and vaporization, in response to aerodynamic heating. Coupled ablation and radiative heating effects have been found to lead to reduced heat transfer coefficients in the computation of meteor mass loss rates. This has the potential to increase ground damage footprints for hazardous impacts. The effort here quantifies the heat transfer coefficient by accounting for ablation assisted by phase transition. The melt and vaporization mediated ablation of chondritic meteors provides essential recession estimates based upon surface environments. The altered mass due to such phenomena would be presented for a H-chondrite meteoritic sample.

Pratibha Raghunandan↗

Sensitivity analysis of simulated SOA loadings using a variance-based statistical approach: SENSITIVITY ANALYSIS OF SOA

We investigate the sensitivity of secondary organic aerosol (SOA) loadings simulated by a regional chemical transport model to 7 selected tunable model parameters: 4 involving emissions of anthropogenic and biogenic volatile organic compounds, anthropogenic semi-volatile and intermediate volatility organics (SIVOCs), and NOx, 2 involving dry deposition of SOA precursor gases, and one involving particle-phase transformation of SOA to low volatility. We adopt a quasi-Monte Carlo sampling approach to effectively sample the high-dimensional parameter space, and perform a 250 member ensemble of simulations using a regional model, accounting for some of the latest advances in SOA treatments based on our recent work. We then conduct a variance-based sensitivity analysis using the generalized linear model method to study the responses of simulated SOA loadings to the tunable parameters. Analysis of SOA variance from all 250 simulations shows that the volatility transformation parameter, which controls whether particle-phase transformation of SOA from semi-volatile SOA to non-volatile is on or off, is the dominant contributor to variance of simulated surface-level daytime SOA (65% domain average contribution). We also split the simulations into 2 subsets of 125 each, depending on whether the volatility transformation is turned on/off. For each subset, the SOA variances are dominated by the parameters involving biogenic VOC and anthropogenic SIVOC emissions. Furthermore, biogenic VOC emissions have a larger contribution to SOA variance when the SOA transformation to non-volatile is on, while anthropogenic SIVOC emissions have a larger contribution when the transformation is off. NOx contributes less than 4.3% to SOA variance, and this low contribution is mainly attributed to dominance of intermediate to high NOx conditions throughout the simulated domain. The two parameters related to dry deposition of SOA precursor gases also have very low contributions to SOA variance. This study highlights the large sensitivity of SOA loadings to the particle-phase transformation of SOA volatility, which is neglected in most previous models.

Shrivastava, Manish↗

Advanced Modeling and Uncertainty Quantification for Flight Dynamics; Interim Results and Challenges

As part of the NASA Vehicle Systems Safety Technologies (VSST), Assuring Safe and Effective Aircraft Control Under Hazardous Conditions (Technical Challenge #3), an effort is underway within Boeing Research and Technology (BR&T) to address Advanced Modeling and Uncertainty Quantification for Flight Dynamics (VSST1-7). The scope of the effort is to develop and evaluate advanced multidisciplinary flight dynamics modeling techniques, including integrated uncertainties, to facilitate higher fidelity response characterization of current and future aircraft configurations approaching and during loss-of-control conditions. This approach is to incorporate multiple flight dynamics modeling methods for aerodynamics, structures, and propulsion, including experimental, computational, and analytical. Also to be included are techniques for data integration and uncertainty characterization and quantification. This research shall introduce new and updated multidisciplinary modeling and simulation technologies designed to improve the ability to characterize airplane response in off-nominal flight conditions. The research shall also introduce new techniques for uncertainty modeling that will provide a unified database model comprised of multiple sources, as well as an uncertainty bounds database for each data source such that a full vehicle uncertainty analysis is possible even when approaching or beyond Loss of Control boundaries. Methodologies developed as part of this research shall be instrumental in predicting and mitigating loss of control precursors and events directly linked to causal and contributing factors, such as stall, failures, damage, or icing. The tasks will include utilizing the BR&T Water Tunnel to collect static and dynamic data to be compared to the GTM extended WT database, characterizing flight dynamics in off-nominal conditions, developing tools for structural load estimation under dynamic conditions, devising methods for integrating various modeling elements into a real-time simulation capability, generating techniques for uncertainty modeling that draw data from multiple modeling sources, and providing a unified database model that includes nominal plus increments for each flight condition. This paper presents status of testing in the BR&T water tunnel and analysis of the resulting data and efforts to characterize these data using alternative modeling methods. Program challenges and issues are also presented.

Hyde, David C.↗

AIACHNE's contribution for Nuclear Energy Agency Working Party on International Nuclear Data Evaluation Co-operation Subgroup 50

The AIACHNE (AI/ML Informed cAlifornium CHi Nuclear data Experiment) project aims at designing an experiment for the 252 Cf Prompt Fission Neutron Spectrum (PFNS) that explores systematic biases in an experimental database retrieved from the EXFOR databases. To that end, machine learning (ML) methods were applied to pint-point measurement features likely related to bia. From that information, we selected a feature that should be explored by the AIACHNE experiment. Measurement features are metadata encapsulating all pertinent information about the physical measurement and analysis techniques. Examples are, for instance, what neutron and fission detectors were used for the physical metadata, and what background reduction techniques were employed for analysis techniques. Such metadata were retrieved both from EXFOR entries as well as the literature of data sets described in detail in Ref. [2]. The prerequisite for applying machine learning techniques is casting the metadata into a format that can be parsed by the algorithm. This step might seem trivial but requires to find a unique language where metadata that carry the same physics meaning across several experiments must have the same identifier. One example is, for instance, the neutron detector. As seen in Figure 1, the machine learning code identified the use of 6 Li detectors as being related to bias in some datasets of the AIACHNE 252 Cf PFNS experimental database. In fact, here are several experiments that used neutron detectors containing 6Li in the database, for instance for the example below. EXFOR format has a unique keywords describing detectors such as “SCIN” or “GLASD”. One may think that these keywords are already sufficient descriptors for ML to uniquely find an issue. However, “SCIN” (used for [3, 4]) and “GLASD” (used for [5]) fail to inform the algorithm what is the active material in the detector. And, the key common issue leading to bias in 252 Cf related to neutron detectors is not whether it is a glass detector or a scintillator. No, the issue is that 6 Li was within both detector types and that even small mistakes in the detector response functions around approximately 200 keV are amplified by the 6 Li(n,α) resonance there leading to bias in data as highlighted in Fig. 1 and Ref. [1]. Hence, the features describing the neutron detector must call out the active material in the detector, rather than the existing EXFOR detector keyword, that the ML algorithm can find physically meaningful features related to bias. The AIACHNE team used a precursor of the WPEC (Working Party on International Nuclear Data Evaluation Co-operation) SG(Subgroup)-50 format to store the metadata for the ML analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Soot Precursor Material: Visualization Via Simultaneous LIF-LII and Characterization Via TEM

Simultaneous combined laser-induced fluorescence and laser-induced incandescence (LIF-LII) images are presented for both a normal and inverse diffusion flame. The excitation wavelength dependence distinguishes the LIF and LII signals in images from the normal diffusion flame while the temporal decay distinguishes the signals in images of the inverse diffusion flame. Each flame presents a minimum in the combined LIF-LII intensity in a region separating the fuel pyrolysis and soot containing regions. Opacity, geometric in definition, and extent of crystallinity measured through both bright and dark field Transmission Electron Microscopy (TEM) characterizes the thermophoretically sampled material from within this minimal LIF-LII intensity region. TEM analysis reveals rather different soot processes occurring within the normal and inverse diffusion flame. In the normal diffusion flame, rapid chemical and physical coalescence of PAHs results in initial formation of soot precursor particles that are highly crystalline and evolve toward fully formed soot. In the inverse diffusion flame, rapid coalescence of pyrolysis products occurs, producing tarlike, globular structures equivalent in size to fully formed soot aggregates but with markedly less crystallinity than normal-appearing soot. These different material properties are interpreted as reflecting different relative rates of chemical and physical coalescence of fuel pyrolysis products versus carbonization. Significantly, these TEM images support qualitative photophysical arguments suggesting that, in general, this 'dark' region observed in the LIF-LII images demarcates a transitional region in which a fundamental change in the material the material chemical/physical properties occurs between solid carbonaceous soot and condensed or gaseous molecular growth material.

VanderWal, Randall L.↗

Advanced Synthesis of Na 4 Si 24

The recently discovered orthorhombic allotrope of silicon, Si 24 , is an exciting prospective material for the future of solar energy due to a quasi-direct bandgap near 1.3 eV, coupled with the abundance and environmental stability of silicon. Synthesized via precursor Na 4 Si 24 at high temperature and pressure (~850 °C, 9 GPa), typical synthesis results have yielded polycrystalline samples with crystallites on the order of 20 μm. Several approaches to increase the crystal size have yielded success, including in-situ thermal spikes and refined selection of the starting materials. Microstructural analysis suggests that coherency exists between diamond silicon (d-Si) and Na 4 Si 24 . This hypothesis has led to the successful attempts at single crystal synthesis by selecting large crystals of d-Si along with metallic Na as the precursors rather than powdered and mixed precursor material. The new synthesis approach has yielded single crystals of Na 4 Si 24 greater than 100 μm. These results represent a breakthrough in synthesis that enables further characterization and utility. The promise of Si 24 for the future of solar energy generation and efficient electronics is strengthened through these advances in synthesis.

catalysis (heterogeneous)↗

Shortwave radiative forcing, rapid adjustment, and feedback to the surface by sulfate geoengineering: analysis of the Geoengineering Model Intercomparison Project G4 scenario

This paper evaluates the forcing, rapid adjustment, and feedback of net shortwave radiation at the surface in the G4 experiment of the Geoengineering Model Intercomparison Project by analysing outputs from six participating models. G4 involves injection of 5 Tg yr -1 of SO 2 , a sulfate aerosol precursor, into the lower stratosphere from year 2020 to 2069 against a background scenario of RCP4.5. A single-layer atmospheric model for shortwave radiative transfer is used to estimate the direct forcing of solar radiation management (SRM), and rapid adjustment and feedbacks from changes in the water vapour amount, cloud amount, and surface albedo (compared with RCP4.5). The analysis shows that the globally and temporally averaged SRM forcing ranges from -3.6 to -1.6 W m -2 , depending on the model. The sum of the rapid adjustments and feedback effects due to changes in the water vapour and cloud amounts increase the downwelling shortwave radiation at the surface by approximately 0.4 to 1.5 W m -2 and hence weaken the effect of SRM by around 50 %. The surface albedo changes decrease the net shortwave radiation at the surface; it is locally strong (~-4 W m -2 ) in snow and sea ice melting regions, but minor for the global average. The analyses show that the results of the G4 experiment, which simulates sulfate geoengineering, include large inter-model variability both in the direct SRM forcing and the shortwave rapid adjustment from change in the cloud amount, and imply a high uncertainty in modelled processes of sulfate aerosols and clouds.

54 ENVIRONMENTAL SCIENCES↗

Understanding the Control of Speciation of Molybdenum Oxides in MFI-Type Zeolites

Metal oxide-impregnated zeolites are employed in a wide variety of catalytic reactions, including methane dehydroaromatization (MDA). The most studied catalysts for MDA are Mo carbides supported on H-ZSM-5, formed through the carburization of Mo-oxide-loaded H-ZSM-5. A complete structural understanding of these materials has not yet been achieved, limiting the potential for rational catalyst design for improved performance. We hereby pursue experimental and theoretical investigations of these catalyst precursors to uncover rational design principles. We employ temperature-programmed oxidation and extended X-ray absorption fine-structure experiments, density functional theory calculations, and QuantEXAFS analysis to unveil Mo-oxide speciation in H-ZSM-5. Finally, we demonstrate that Mo-oxides exist within these systems as a combination of various motifs, and the relative abundance of these species is controlled through tailored preparation methods. The synergies exploited in this work may be leveraged in other related catalysts. The conclusions drawn are applicable to other relevant applications of zeolite-supported metal oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extension of the DIF3D Code for Molten Salt Reactor Analysis

The molten salt reactor (MSR) with the fuel dissolved into the liquid salt has been selected as one of the six Generation-IV reactors due to its excellent characteristics in the aspects of sustainability, economy, passive safety, and resource utilization. In a MSR, the fuel salt is circulated throughout the whole system and thus some of delayed neutron precursors generated in the core decay in position of low importance or even out of the core. As a result, the multiplication factor (k-eff) of MSR is smaller than that of a reactor of stationary fuel when all the other conditions are same. Therefore, the neutronics code developed for stationary fuel cannot be applied directly to MSR analysis. In this paper, we describe the extension and application of the DIF3D code to MSR neutronics analysis. The DIF3D code system is a multi-group steady-state neutron diffusion and transport theory solver. It provides three flux solution options: finite-difference diffusion theory, nodal diffusion theory, and variational nodal transport theory methods. Eigenvalue, adjoint, fixed source and criticality (concentration) search problems are permitted. The DIF3D code has recently been modified to model the flowing fuel. To verify the new capability of DIF3D, the MSFR [4] core was analyzed with a wide range of velocity field of fuel salt and time spent outside of the core.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A UNIFAC-Based Approach to Gasoline Droplet Evaporation and the Role of Oxygenates on PM Precursor Vaporization

In some studies, a relationship has been observed between increasing ethanol content in gasoline and increased particulate matter (PM) emissions from vehicles equipped with spark ignition engines. The fundamental cause of the PM increase seen for moderate ethanol concentrations is not well understood. As a result, existing PM indices such as PMI may not be indicative of measured PM emissions for oxygenated biofuel blends. Ethanol features a greater heat of vaporization (HOV) than gasoline and also influences vaporization by altering the liquid and vapor composition throughout the vaporization process. A droplet vaporization model was developed to explore ethanol's effect on the evaporation of aromatic compounds known to be PM precursors. The evolving droplet composition is modeled as a distillation process, with non-ideal interactions between oxygenates and hydrocarbons accounted for using UNIFAC group contribution theory. Detailed hydrocarbon analysis was applied to fuel samples, and used as input for the initial droplet composition. The droplet can be modeled in terms of energy transfer, which in turn provides the transient mass transfer, droplet temperature, and droplet diameter. Model predictions suggest that non-ideal vapor-liquid equilibrium along with an increase in HOV can alter the droplet composition evolution. Results predict that the presence of ethanol causes enrichment of the higher boiling fractions (T90+) in the aromatic components as well as lengthens the droplet lifetime. A simulation of the evaporation process in a transient environment as experienced within an engine cylinder predicts a decrease in mixing time of the heaviest fractions of the fuel prior to spark initiation, possibly explaining observations linking ethanol to PM. A correlation between liquid phase PM precursors and measured PM emissions is shown.

33 ADVANCED PROPULSION SYSTEMS↗

A Heteromeric Carboxylic Acid Based Single-Crystalline Crosslinked Organic Framework

The development of large pore single-crystalline covalently linked organic frameworks is critical in revealing the detailed structure-property relationship with substrates. One emergent approach is to photo-crosslink hydrogen-bonded molecular crystals. Introducing complementary hydrogen-bonded carboxylic acid building blocks is promising to construct large pore networks, but these molecules often form interpenetrated networks or non-porous solids. In this report we introduced heteromeric carboxylic acid dimers to construct a non-interpenetrated molecular crystal. Crosslinking this crystal precursor with dithiols afforded a large pore single-crystalline hydrogen-bonded crosslinked organic framework H C OF-101. X-ray diffraction analysis revealed H C OF-101 as an interlayer connected hexagonal network, which possesses flexible linkages and large porous channels to host a hydrazone photoswitch. Multicycle Z/E-isomerization of the hydrazone took place reversibly within H C OF-101, showcasing the potential use of H C OF-101 for optical information storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis and luminescent properties of Tb3+ doped BaLa2ZnO5 nanoparticles

Highlights: • First combustion-synthesis report of BaLa{sub 2-x}ZnO{sub 5}:xTb{sup 3+} nanophosphors. • Lattice parameters and atomic positions have been refined. • Critical distance for non-radiative energy transfer has been calculated. • These nanophosphors are suitable candidate for solid state lighting. • Some blue to green color tunability has been found. - Abstract: Nanophosphor powders of composition BaLa{sub 2}ZnO{sub 5}:Tb{sup 3+} have been synthesized via using urea assisted solution combustion method using metal nitrates as the precursor materials. The structural, morphological and luminescent properties have been investigated by powder X-ray diffraction (XRD) and photoluminescence (PL) spectroscopy. The Rietveld analysis showed that these nanophosphors crystallize in the tetrahedral phase with the 14/mcm (140) space group. The crystallite size was determined by Scherer formula and was found to be 70 nm. The photoluminescent excitation of these nanocrystals at 278 nm yielded the characteristic emission peaks at 545 nm and 489 nm due to {sup 5}D{sub 4} → {sup 7}F{sub 5} (magnetic-dipole) and {sup 5}D{sub 4} → {sup 7}F{sub 6} (electric-dipole) transitions, respectively. The optimum activator concentration was found to be 3 mol% and the concentration quenching arising from the over-doping was attributed to the quadrupole–quadrupole interactions. The excellent luminescent profile of these nano-scaled particles suggests their auspicious applications in the solid-state lighting and display technology.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Nanocluster Rearrangement Forms a Family of Ordered Cerium–Titanium Bimetallic Metal–Organic Frameworks with Three Different Nodes, Nanocavities, and Thermal Stabilities

Metal–organic frameworks (MOFs) provide a versatile platform for incorporating multiple metal ions within a single crystalline framework, yet achieving spatial and stoichiometric order in heterometallic nodes remains a synthetic challenge. Building on our previously reported, highly thermally stable Ce/Ti bimetallic MOF NU-3000, we identified and isolated two additional crystalline phases, NU-2998 and NU-2999, that arise from the same Ce/Ti nanocluster precursor under modified solvothermal conditions. Systematic variation of reaction temperature, time, solvent ratio, and modulator concentration directs the assembly of these distinct frameworks. Structural analysis and comprehensive characterization studies reveal that these MOFs each feature an unreported nodal geometry with nanocavities of different sizes. NU-2998 even adopts an unreported topology, denoted nui , that features an elongated pore spanning 4 nm. Together, these findings establish a synthesis route that starts with a nanocluster and ends with a set of bimetallic MOFs, offering a glimpse into the pathway-dependent assembly of multimetallic porous materials. Finally, we evaluated the thermal stability of each additional analogue and compared them to NU-3000, providing further insight into material stability. NU-3000 maintained the highest thermal stability and was evaluated as a catalyst for CO oxidation at elevated temperatures.

bimetallic MOFs↗

Synthesis of Hybrid Materials Based on Iron Nanoparticle-Decorated Multiwalled Carbon Nanotubes

Fe-containing nanoparticles have been grown for the first time on the surface of multiwalled carbon nanotubes by metalorganic chemical vapor deposition using iron acetylacetonate, Fe(acac){sub 3}, as a precursor. The resultant hybrid nanomaterial has been characterized by X-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy, and thermogravimetric analysis. The results demonstrate that the synthesized material consists of multiwalled carbon nanotubes whose surface is decorated with iron nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Definition of technology development missions for early Space Station satellite servicing. Volume 2: Technical

Volume 2 contains the Technical Report of the approach and results of the Phase 2 study. The phase 2 servicing study was initiated in June 1983, and is being reported in this document. The scope of the contract was to: (1) define in detail five selected technology development missions (TDM); (2) conduct a design requirement analysis to refine definitions of satellite servicing requirements at the space station; and (3) develop a technology plan that would identify and schedule prerequisite precursor technology development, associated. STS flight experiments and space station experiments needed to provide onorbit validation of the evolving technology.

Cable, D. A.↗

Water Vapor Winds and Their Application to Climate Change Studies

The retrieval of satellite-derived winds and moisture from geostationary water vapor imagery has matured to the point where it may be applied to better understanding longer term climate changes that were previously not possible using conventional measurements or model analysis in data-sparse regions. In this paper, upper-tropospheric circulation features and moisture transport covering ENSO periods are presented and discussed. Precursors and other detectable interannual climate change signals are analyzed and compared to model diagnosed features. Estimates of winds and humidity over data-rich regions are used to show the robustness of the data and its value over regions that have previously eluded measurement.

Jedlovec, Gary J.↗

A Genome-Scale Metabolic Model of Anabaena 33047 to Guide Genetic Modifications to Overproduce Nylon Monomers

Nitrogen fixing-cyanobacteria can significantly improve the economic feasibility of cyanobacterial production processes by eliminating the requirement for reduced nitrogen. Anabaena sp. ATCC 33047 is a marine, heterocyst forming, nitrogen fixing cyanobacteria with a very short doubling time of 3.8 h. We developed a comprehensive genome-scale metabolic (GSM) model, iAnC892, for this organism using annotations and content obtained from multiple databases. iAnC892 describes both the vegetative and heterocyst cell types found in the filaments of Anabaena sp. ATCC 33047. iAnC892 includes 953 unique reactions and accounts for the annotation of 892 genes. Comparison of iAnC892 reaction content with the GSM of Anabaena sp. PCC 7120 revealed that there are 109 reactions including uptake hydrogenase, pyruvate decarboxylase, and pyruvate-formate lyase unique to iAnC892. iAnC892 enabled the analysis of energy production pathways in the heterocyst by allowing the cell specific deactivation of light dependent electron transport chain and glucose-6-phosphate metabolizing pathways. The analysis revealed the importance of light dependent electron transport in generating ATP and NADPH at the required ratio for optimal N2 fixation. When used alongside the strain design algorithm, OptForce, iAnC892 recapitulated several of the experimentally successful genetic intervention strategies that over produced valerolactam and caprolactam precursors.

59 BASIC BIOLOGICAL SCIENCES↗