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At least 1,621 records · Page 90

An information driven strategy to support multidisciplinary design

The design of complex engineering systems such as aircraft, automobiles, and computers is primarily a cooperative multidisciplinary design process involving interactions between several design agents. The common thread underlying this multidisciplinary design activity is the information exchange between the various groups and disciplines. The integrating component in such environments is the common data and the dependencies that exist between such data. This may be contrasted to classical multidisciplinary analyses problems where there is coupling between distinct design parameters. For example, they may be expressed as mathematically coupled relationships between aerodynamic and structural interactions in aircraft structures, between thermal and structural interactions in nuclear plants, and between control considerations and structural interactions in flexible robots. These relationships provide analytical based frameworks leading to optimization problem formulations. However, in multidisciplinary design problems, information based interactions become more critical. Many times, the relationships between different design parameters are not amenable to analytical characterization. Under such circumstances, information based interactions will provide the best integration paradigm, i.e., there is a need to model the data entities and their dependencies between design parameters originating from different design agents. The modeling of such data interactions and dependencies forms the basis for integrating the various design agents.

Rangan, Ravi M.↗

UTM Data Working Group Demonstration 1: Final Report

This document summarizes activities defining and executing the first demonstration of the NASA-FAA Research Transition Team (RTT) Data Exchange and Information Architecture (DEIA) working group (DWG). The demonstration focused on testing the interactions between two key components in the future UAS Traffic Management (UTM) System through a collaborative and distributed simulation of key scenarios. The summary incorporates written feedback from each of the participants in the demonstration. In addition to reporting the activities, this report also provides some insight into future steps of this working group.

UAS Traffic Management↗

The nature of frontier orbitals under systematic ligand exchange in (pseudo-)octahedral Fe( ii ) complexes

Understanding and controlling properties of transition metal complexes is a crucial step towards tailoring materials for sustainable energy applications. In a systematic approach, we use resonant inelastic X-ray scattering to study the influence of ligand substitution on the valence electronic structure around an aqueous iron(II) center. Exchanging cyanide with 2-2'-bipyridine ligands reshapes frontier orbitals in a way that reduces metal 3d charge delocalization onto the ligands. This net decrease of metal–ligand covalency results in lower metal-centered excited state energies in agreement with previously reported excited state dynamics. Furthermore, traces of solvent-effects were found indicating a varying interaction strength of the solvent with ligands of different character. Lastly, our results demonstrate how ligand exchange can be exploited to shape frontier orbitals of transition metal complexes in solution-phase chemistry; insights upon which future efforts can built when tailoring the functionality of photoactive systems for light-harvesting applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Noncollinear Ground State from a Four-Spin Chiral Exchange in a Tetrahedral Magnet

We propose a quartic chiral term m x m y m z ∇ • m for the energy density of a cubic ferromagnet with broken parity symmetry (point group T d ). We demonstrate that this interaction causes a phase transition from a collinear ferromagnetic state to a noncollinear magnetic cone ground state provided its strength exceeds the geometric mean of magnetic exchange and cubic anisotropy. The corresponding noncollinear ground state may also be additionally stabilized by an external magnetic field pointing along certain crystallographic directions. Here, the four-spin chiral exchange does also manifest itself in peculiar magnon spectra and favors spin waves with the wave vector that is perpendicular to the average magnetization direction.

36 MATERIALS SCIENCE↗

Symbiosis Under Stress: How Arbuscular Mycorrhizal Fungi and Sorghum Metabolism Shift Under Drought

As drought becomes more prevalent across the globe, causing billions of dollars in agricultural loss, the need to maintain crop health and productivity grows increasingly important. Out of the most important cereal crops, sorghum shows the greatest drought tolerance, and plant-microbiome interactions at the root region play a crucial role in this. A key microbial player is arbuscular mycorrhizal fungi (AMF), which deliver water and nutrients to plants in exchange for nutrients they cannot produce. Using sorghum as a model plant, we combine mass-spectrometry based proteomics and metabolomics to examine metabolic interactions between sorghum roots and AMF under drought stress. With AMF, sorghum downregulated lipid-related biological processes involving fatty acid biosynthesis and metabolism. Similarly, amino acid biosynthesis pathways were also suppressed; however, metabolite analysis revealed increased amino acid abundance related to the phenylpropanoid pathway. AMF also enhanced the upregulation of drought-protective osmolytes, such as mannitol and sorbitol, suggesting their key role in mediating sorghum’s response to drought stress. AMF hyphal biomass also had an increased abundance of key osmoprotectant amino acids, indicating similar mechanisms of drought tolerance between sorghum and AMF. Metabolomic evidence also suggested that carbohydrate exchange between sorghum and AMF shifted under stress, indicating an altered exudation pattern likely driven by drought response. Our results demonstrate the molecular mechanisms through which AMF modulate sorghum metabolism under drought conditions, highlighting their promising role in improving crop resilience. By identifying the molecular targets that can improve drought tolerance, we can begin engineering drought resistant agricultural biosystems.

60 APPLIED LIFE SCIENCES↗

Benchmarking the accuracy of coverage-dependent models: adsorption and desorption of benzene on Pt (111) and Pt 3 Sn (111) from first principles

Bimetallic catalysts have demonstrated properties favorable for upgrading biofuel through catalytic hydrodeoxygenation. However, the design and optimization of such bimetallic catalysts requires the ability to construct accurate, predictive models of these systems. To generate a model that predicts the kinetic behavior of benzene adsorbed on Pt (111) and a Pt 3 Sn (111) surface alloy (Pt 3 Sn (111)), the adsorption of benzene was studied for a wide range of benzene coverages on both surfaces using density functional theory (DFT) calculations. The adsorption energy of benzene was found to correlate linearly with benzene coverage on Pt (111) and Pt 3 Sn (111); both surfaces exhibited net repulsive lateral interactions. Through an analysis of the d-band properties of the metal surface, it was determined that the coverage dependence is a consequence of the electronic interactions between benzene and the surface. The linear coverage dependence of the adsorption energy allowed us to quantify the influence of the lateral interactions on the heat of adsorption and temperature programmed desorption (TPD) spectra using a mean-field model. A comparison of our simulated TPD to experiment showed that this mean-field model adequately reproduces the desorption behavior of benzene on Pt (111) and Pt 3 Sn (111). In particular, the TPD correctly exhibits a broadening desorption peak as the initial coverage of benzene increases on Pt (111) as well as and a low temperature desorption peak on Pt 3 Sn (111). Furthermore, due to the sensitivity of the TPD peak temperature to the desorption energy, precise alignment of experimental and theoretical TPD spectra demands an accurate calculation of the adsorption energy. Therefore, an analysis of the effect of the exchange-correlation functional on TPD modeling is presented. Through this work, we show the necessity of incorporating lateral interactions into theoretical models in order to correctly predict experimental behavior.

09 BIOMASS FUELS↗

Amorphous K–Co–Mo–S x Chalcogel: A Synergy of Surface Sorption and Ion-Exchange

Chalcogel represents a unique class of meso- to macroporous nanomaterials that offer applications in energy and environmental pursuits. We report the synthesis of an ion-exchangeable amorphous chalcogel using a nominal composition of K 2 CoMo 2 S 10 (KCMS) at room temperature is reported. Synchrotron X-ray pair distribution function (PDF), X-ray absorption near-edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) reveal a plausible local structure of KCMS gel consisting of Mo 5+ 2 and Mo 4+ 3 clusters in the vicinity of di/polysulfides which are covalently linked by Co 2+ ions. The ionically bound K + ions remain in the percolating pores of the Co–Mo–S covalent network. XANES of Co K-edge shows multiple electronic transitions, including quadrupole (1s→3d), shakedown (1s→4p + MLCT), and dipole allowed 1s→4p transitions. Remarkably, despite a lack of regular channels as in some crystalline solids, the amorphous KCMS gel shows ion-exchange properties with UO 2 2+ ions. Additionally, it also presents surface sorption via [S∙∙∙∙UO 2 2+ ] covalent interactions. Overall, this study underscores the synthesis of quaternary chalcogels incorporating alkali metals and their potential to advance separation science for cations and oxo-cationic species by integrating a synergy of surface sorption and ion-exchange.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Beneath the Bark: Assessing Woody Stem Water and Carbon Fluxes and Its Prevalence Across Climates and the Woody Plant Phylogeny

While woody stems are known to influence carbon and water dynamics, direct exchange with the atmosphere is seldom quantified, limiting our understanding of how these processes influence the exchange of mass and energy. The presence of woody stem chlorophyll in a diversity of climates and across a range of species suggests an evolutionary advantage to sustaining carbon assimilation and water relations through permeable stem tissue. However, no formal evaluation of this hypothesis has been performed. In this mini-review, we explore the interactions between woody stems and the atmosphere by examining woody stem photosynthesis and bark-atmosphere water exchange. Specifically, we address the following questions: (1) How do water and carbon move between the atmosphere and woody stems? (2) In what climate space is woody stem photosynthesis and bark water uptake advantageous? (3) How ubiquitous across plant families is woody stem photosynthesis and bark-atmosphere water exchange? In the literature, only seven species have been identified as exhibiting bark water uptake while over 300 species are thought to conduct woody stem photosynthesis. The carbon dioxide and water gained from these processes can offset respiration costs and improve plant water balance. These species span diverse biomes suggesting a broad prevalence of bark-atmosphere permeability. Finally, our results demonstrate that there may be an evolutionary component as demonstrated by a high Pagel’s lambda for the presence of stem photosynthesis. We end with recommendations for future research that explores how bark water and carbon interactions may impact plant function and mass flow in a changing climate.

54 ENVIRONMENTAL SCIENCES↗

Interactive computation of radiation view factors

The development of a pair of computer programs to calculate the radiation exchange view factors is described. The surface generation program is based upon current graphics capabilities and includes special provisions which are unique to the radiation problem. The calculational program uses a combination of contour and double area integration to permit consideration of radiation with obstruction surfaces. Examples of the surface generation and the calculation are given.

Emery, A. F.↗

Interaction between cast silicon properties and solar cell performance

Three types of cast silicon, Silso, HEM (Heat-Exchanger Method) and UCP (Ubiquitous Crystallization Process) were studied for their use as solar cells. Optical microscopy after etching revealed a high density of uniform dislocations (approaching 1,000,000/sq cm), lines of dislocations indicating stress during crystal growth, and precipitates, some of which generate dislocations. Solar cells were fabricated by three processes. Results of solar cell processing revealed that these materials produce cells of lower efficiency than Czochralski control cells, and that the efficiencies of the three materials were quite close. Diffusion length and spectral response data are shown. Certain structural features are correlated with solar cell efficiency, diffusion length, and spectral response. Electron-beam induced current (EBIC) and light spot scanning are used to back up other measurements.

Hyland, S.↗

Rigid Core Anthracene and Anthraquinone Linked Nitronyl and Iminoyl Nitroxide Biradicals

The first syntheses of bis(nitronyl nitroxide) and bis(iminoyl nitroxide) (diNN, diIN) biradicals linked through rigid acene core conjugating anthracene (A) and anthraquinone (AQ) units are reported. Computational modeling predicts weak intramolecular exchange in AQ-linked systems, but A-linked biradicals to have ground state multiplicities consistent with the Borden-Davidson disjointness model. Solution electron spin resonance spectra showed inter-radical exchange-coupled triplet states, except for 2,6-AQ biradicals showing isolated spin spectra. Crystallography of the A-linked biradicals shows a key role for inter-radical contacts for molecular packing. DiINs showed lower-dimensional dyad packing with disorder at the radical units: the conformationally more symmetrical diNNs gave staircase one-dimensional or brickwork two-dimensional lattices. Core anthracene unit stacking was only seen in two systems with bromine on the central anthracene ring: the (large) bromine occupies alternate side placement in dyad stacks for the diIN, chain stacks for the diNN. Magnetism of 2,7-A-linked systems showed predominant ferromagnetic intramolecular triplet-singlet splitting of 24–28 K for diNNs and 8 K for diINs, plus weak antiferromagnetic (AFM) interactions from intermolecular contacts. Furthermore, the 2,6-A-linked biradicals showed AFM exchange between spins. Both A and AQ cores offer possibilities for electronic material development, with a combination of multiple radical spins and π-electron-rich acene cores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations

Adsorption, interaction, and diffusion of adatoms on surfaces control growth and relaxation of epitaxial nanostructures and nanofilms. Previous reports of key diffusion barriers for Pb diffusion on low-index Pb surfaces are limited in scope and accuracy. Thus, we apply density functional theory (DFT) to calculate the adsorption and diffusion energetics for a Pb adatom on Pb(111), Pb(100), and Pb(110) nanofilms with different thicknesses. We find that these quantities exhibit damped oscillatory variation with increasing film thickness. For Pb(111) films, energetics along the minimum energy path for Pb adatom diffusion between adjacent fcc and hcp sites varies significantly with film thickness, its form differing from other metal-on-metal(111) systems. For Pb(111) and Pb(100) nanofilms, diffusion barriers obtained for both adatom hopping and exchange mechanism differ significantly from previous DFT results. Hopping is favored over exchange for Pb(111), and the opposite applies for Pb(100). For Pb(110) nanofilms, Pb adatom hopping over an in-channel bridge is most facile, then in-channel exchange, then cross-channel exchange, with cross-channel hopping least favorable. We also assess lateral Pb adatom interactions, and characterize island nucleation during deposition on Pb(111).

36 MATERIALS SCIENCE↗

Testing Results from the Low Activity Waste Pretreatment System (LAWPS) Full-Scale Ion Exchange Column Test and Engineering Scale Integrated System Test - 18634

The U.S. Department of Energy (DOE), Office of River Protection's (ORP) primary mission is to retrieve and treat Hanford's tank waste and close the Tank Farms to protect the Columbia River. Mixed radioactive waste is stored in 177 underground tanks at the Hanford Site as reported in DOE/ORP 2003- 02, Environmental Impact Statement for Retrieval, Treatment, and Disposal of Tank Waste and Closure of the Single Shell Tanks at the Hanford Site, Richland WA, Inventory and Source Term Data Package. The 177 underground tanks are estimated to contain about 56 million gallons of waste. The Low Activity Waste Pretreatment System (LAWPS) Project provides for the early production of immobilized low activity waste (ILAW) by feeding LAW directly from Tank Farms to the Hanford Waste Treatment Plant's (WTP's) LAW Facility, bypassing the Pretreatment Facility. Prior to the transfer of feed to the WTP LAW Vitrification Facility, tank supernatant waste will be pretreated in the LAWPS to meet the WTP LAW waste acceptance criteria. The LAWPS will also facilitate the return of secondary liquid wastes from the WTP LAW Vitrification Facility to the Tank Farms. In November of 2015 DOE's Tank Operations Contractor, Washington River Protection Solutions (WRPS), awarded a contract to the AECOM team to design, fabricate and operate two test platforms to generate performance data at two different scales and demonstrate technology maturation. The first platform models the ion exchange (IX) columns at full scale, and the second platform models the integrated flowsheet (cross flow filter (CFF) and IX) at 1/9. scale. Overarching technical objectives of performing the full-scale ion exchange test and the engineering-scale integrated test are to: 1. Test interactions between unit process operations; 2. Test removal of non-radioactive cesium from process stream; 3. Test removal of undissolved solids from process stream; 4. Confirm operational flow rate range and stability; 5. Confirm volumetric throughput of waste stream over flow operating range; 6. Confirm range of process temperatures over planned operating range; 7. Establish system hydraulics and process criteria; 8. Coordinate key control and monitoring components; 9. Establish treated product chemistry meets requirements (cesium, solids, and pH); and 10. Test the hazard control strategy for a no flow condition through the IX column. Data collected during testing will be used by WRPS to validate the preliminary design, inform the final design of the permanent plant equipment, and demonstrate that the critical technology elements have advanced to a technology readiness level of 6 (prototypical system validation in a relevant environment). Testing on both platforms started in fall of 2016 generating NQA-1 data. This paper covers test results from the first five phases of testing on the 1/9. scale integrated test platform. A further three phases of testing are currently being executed, these including a 5.6 M sodium simulant containing foulant, a high viscosity simulant and finally a run performed with a lower Cs concentration (all earlier tests were spiked to 4 x Cs to reduce volume and cost). Results from these tests were not available at the time of writing available. Results are also presented from the full scale IX testing. Eight test were performed covering column loading, elution and regeneration; column loading, elution and regeneration with upflow displacement; IX column loading and gas migration; resin removal; solids accumulation; and IX column emergency recirculation and vent. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A new method for isolating plasma interactions from those of the laser beam during plasma nitriding

Highlights: • Nitriding of titanium was studied using a laser sustained plasma (LSP) reactor, independent of the laser beam. • Nucleation and growth of faceted, dendritic, rectangular and particulate TiN morphologies was observed. • TiN layers up to 300 μm thick formed within 5 s - one of the most rapid TiN growth rates observed for LSP/laser nitriding. • LSP accessed novel microstructures compared to laser nitriding with or without surface-struck plasm plasma. - Abstract: A new method for separating the interactions of a laser plasma from those of a laser beam with a titanium substrate was developed. A laser-sustained plasma (LSP) was generated by striking the plasma on a titanium plate in a flowing nitrogen atmosphere at ambient pressure and subsequently removing the strike plate. The resultant nitrogen plasma was sustained indefinitely around the laser focal plane until the nitrogen gas flow and/or the laser power were switched off. The laser-sustained nitrogen plasma was then used as a “reactor” to study the effects of a nitrogen plasma, independent of the laser beam, when the plasma was brought into close proximity, (2 to 3 mm), parallel to a titanium substrate. There was no interaction of the parallel laser beam with the substrate. Heat, nitrogen and titanium were exchanged between the nitrogen LSP and substrate resulting in melting, nucleation and growth of faceted and dendritic TiN crystals, rectangular hollow TiN morphologies and particulate TiN deposits. Dense TiN layers up to 300 μm thick formed within 5 s. The results demonstrated that compositionally graded layers of nitrogen-enriched titanium, and titanium nitride could be formed very rapidly on model, commercially-pure titanium substrates, with promise for extension to commercial alloys such as Ti-6Al-4V.

36 MATERIALS SCIENCE↗

Methanogens: Syntrophic Metabolism

Syntrophy is a mutualistic interaction in which two metabolically different types of microorganisms are linked by the need to keep metabolites exchanged between the two partners at low concentrations to make the overall metabolism of both organisms feasible. In most cases, the cooperation is based on the transfer of hydrogen, formate, or acetate from fermentative bacteria to methanogens to make the degradation of electron-rich substrates thermodynamically favorable. Syntrophic metabolism proceeds at very low Gibbs’ free energy changes, close to the minimum free energy change needed to conserve energy biologically, which is the energy needed to transport one proton across the cytoplasmic membrane. Pathways for syntrophic degradation of fatty acids predict the net synthesis of about one-third of an ATP per round of catabolism. Syntrophic metabolism entails critical oxidation-reduction reactions in which H 2 or formate production would be thermodynamically unfavorable unless energy is invested. Molecular insights into the membrane processes involved in ion translocation and reverse electron transport revealed that syntrophs harbour multiple systems for reverse electron transfer. While much evidence supports the interspecies transfer of H 2 and formate, other mechanisms of interspecies electron transfer exist including cysteine cycling and possibly direct interspecies electron transfer as electric current via conductive pili or (semi)conductive minerals.

59 BASIC BIOLOGICAL SCIENCES↗

Overview of NASA’s Extensible Traffic Management (xTM) Research

NASA’s Unmanned Aircraft Systems (UAS) Traffic Management (UTM) project introduced a new Air Traffic Management (ATM) architecture that utilizes industry’s ability to supply industry-developed, third-party services that work complementarily with the FAA-provided Air Traffic Service (ATS) to exchange relevant air vehicle information among the UAS operations and between the UTM and the conventional ATM system. The UTM architecture was used to successfully demonstrate the feasibility of safe, efficient, and scalable small UAS operations in low altitudes below 400 feet above ground level. Following the success and adoption of UTM architecture, the foundational UTM requirements and core properties were generalized to become Extensible Traffic Management (xTM) requirements to support operations of new entrants beyond small UAS, such as operations in high altitudes over 60,000 feet, designated as upper Class E in the United States National Airspace System (NAS). In this paper, the generalization of UTM to xTM and NASA’s approach for developing an xTM system for upper Class E Traffic Management (ETM) are discussed. The paper also discusses the planned research to examine the potential xTM-Air Traffic Control (ATC) interactions across multiple xTM systems and identify common coordination procedures, ATC roles/responsibilities, and data exchange requirements. This work is one of the steps for improving interoperability between the xTM systems and ATS, which is critical for safe and efficient sharing of the airspace among the new entrants served by the xTM systems and conventional ATS-serviced operations.

air traffic management↗

Overview of NASA’s Extensible Traffic Management (xTM) Work

NASA’s Unmanned Aircraft Systems (UAS) Traffic Management (UTM) project introduced a new Air Traffic Management (ATM) architecture that utilizes industry’s ability to supply industry-developed, third-party services that work complementarily with the FAA-provided Air Traffic Service (ATS) to exchange relevant air vehicle information among the UAS operations and between the UTM and the conventional ATM system. The UTM architecture was used to successfully demonstrate the feasibility of safe, efficient, and scalable small UAS operations in low altitudes below 400 feet above ground level. Following the success and adoption of UTM architecture, the foundational UTM requirements and core properties were generalized to become Extensible Traffic Management (xTM) requirements to support operations of new entrants beyond small UAS, such as operations in high altitudes over 60,000 feet, designated as upper Class E in the United States National Airspace System (NAS). In this paper, the generalization of UTM to xTM and NASA’s approach for developing an xTM system for upper Class E Traffic Management (ETM) are discussed. The paper also discusses the planned research to examine the potential xTM-Air Traffic Control (ATC) interactions across multiple xTM systems and identify common coordination procedures, ATC roles/responsibilities, and data exchange requirements. This work is one of the steps for improving interoperability between the xTM systems and ATS, which is critical for safe and efficient sharing of the airspace among the new entrants served by the xTM systems and conventional ATS-serviced operations.

air traffic management↗

The Urban Fabric of the City as Its Affects Thermal Energy Responses Derived from Remote Sensing Data

The physical geography of the city affects numerous aspects of its interlinked biophysical, social, and land-atmosphere characteristics - those attributes that come together to form the total urban environment. One approach to studying the multitude of interactions that occur as a result of urbanization is to view the city from a systems ecology perspective, where energy and material cycle into and out of the urban milieu. Thus, the urban ecosystem is synergistic in linking land, air, water, and living organisms in a vast network of interrelated physical, human, and biological process. Given the number and the shear complexity of the exchanges and, ultimately, their effects, that occur within the urban environment, we are focusing our research on looking at how the morphology or urban fabric of the city, drives thermal energy exchanges across the urban landscape. The study of thermal energy attributes for different cities provides insight into how thermal fluxes and characteristics are partitioned across the city landscape in response to each city's morphology. We are using thermal infrared remote sensing data obtained at a high spatial resolution from aircraft, along with satellite data, to identify and quantify thermal energy characteristics for 4 U.S. cities: Atlanta, GA, Baton Rouge, LA, Salt Lake City, UT, and Sacramento, CA. Analysis of how thermal energy is spatially distributed across the urban landscapes for these cities provides a unique perspective for understanding how the differing morphology of cities forces land-atmosphere exchanges, such as the urban heat island effect, as well as related meteorological and air quality interactions. Keyword: urban ecosystems, remote sensing, urban heat island

Quattrochi, Dale A.↗