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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34

Anticorrelation between electron-phonon coupling strength and stability of ternary metal diborides

This paper endeavors to expand the exploration of prospective superconductivity within the 𝑃⁢6/𝑚⁢𝑚⁢𝑚−MgB 2 structural framework by substituting Mg atoms with a random selection of two distinct cations from a pool of 24 candidates. Employing a high-throughput screening methodology to scrutinize zone-center electron-phonon couplings, we found an inverse relationship between thermodynamic stability and electron-phonon coupling strength in the resulting ternary metal borides. Notably, within the MgNiB 4 system, we demonstrated that electron-phonon superconductivity is stronger in less dynamically stable configurations. Further, the qualitative reasons for the emerging instabilities when electron-phonon coupling becomes strong are discussed. This insight indicates that the quest for superior superconducting materials should concentrate on the intricate balance between electronic and phononic characteristics in structures that are on the brink of instability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The role of structural dynamics in the design and operations of space systems: The history, the lessons, the technical challenges of the future

Structural dynamics and its auxiliary fields are the most progressive and challenging areas space system engineering design and operations face. Aerospace systems are dependent on structural dynamicists for their success. Past experiences (history) are colored with many dynamic issues, some producing ground or flight test failures. The innovation and creativity that was brought to these issues and problems are the aura from the past that lights the path to the future. Using this illumination to guide understanding of the dynamic phenomena and designing for its potential occurrence are the keys to successful space systems. Our great paradox, or challenge, is how we remain in depth specialists, yet become generalists to the degree that we make good team members and set the right priorities. This paper will deal with how we performed with acclaim in the past, the basic characteristics of structural dynamics (loads cycle, for example), and the challenges of the future.

Ryan, Robert S.↗

Mild Hydrothermal Crystal Growth of Two Luminescing Uranyl Phosphates Exhibiting an Autunite-Type Sheet Structure

Two new layered uranyl phosphate compounds, K(UO 2 )PO 4 (H 2 O) 3 and Na(UO 2 )PO 4 (H 2 O) 1.52 , crystallizing in an autunite-type sheet structure, were successfully synthesized as both single-crystals and polycrystalline powders under mild hydrothermal conditions. The compound K(UO 2 )PO 4 (H 2 O) 3 crystallizes in the tetragonal crystal system with the space group P4/ncc, exhibiting lattice parameters of a = b = 6.99320(7) Å and c = 17.8389(3) Å. Similarly, Na(UO 2 )PO 4 (H 2 O) 1.52 also crystallizes in the tetragonal crystal system, however, in the space group P4/nmm and exhibits lattice parameters of a = b = 6.9787 Å and c = 8.6303(17) Å. Both compounds adopt layered structures, a characteristic feature of uranyl phosphates, and exhibit intense green fluorescence typical for uranyl-containing materials. As a result, the infrared spectroscopy, photoluminescence, and scintillation properties of these compounds were investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Abundances of Neutral and Ionized PAH Along The Lines-of-Sight of Diffuse and Translucent Interstellar Clouds

The spectra of neutral and ionized PAHs isolated in the gas phase at low temperature have been measured in the laboratory under conditions that mimic interstellar conditions and are compared with a set of astronomical spectra of reddened, early type stars. The comparisons of astronomical and laboratory data provide upper limits for the abundances of neutral PAH molecules and ions along specific lines-of-sight. Something that is not attainable from infrared observations. We present the characteristics of the laboratory facility (COSmIC) that was developed for this study and discuss the findings resulting from the comparison of the laboratory data with high resolution, high S/N ratio astronomical observations. COSmIC combines a supersonic jet expansion with discharge plasma and cavity ringdown spectroscopy and provides experimental conditions that closely mimic the interstellar conditions. The column densities of the individual PAH molecules and ions probed in these surveys are derived from the comparison of the laboratory data with high resolution, high S/N ratio astronomical observations. The comparisons of astronomical and laboratory data lead to clear conclusions regarding the expected abundances for PAHs in the interstellar environments probed in the surveys. Band profile comparisons between laboratory and astronomical spectra lead to information regarding the molecular structures and characteristics associated with the DIB carriers in the corresponding lines-of-sight. These quantitative surveys of neutral and ionized PAHs in the optical range open the way for quantitative searches of PAHs and complex organics in a variety of interstellar and circumstellar environments.

PAH↗

Spin density wave and van Hove singularity in the kagome metal CeTi 3 Bi 4

Kagome metals with van Hove singularities near the Fermi level can host intriguing quantum phenomena such as chiral loop currents, electronic nematicity, and unconventional superconductivity. However, to our best knowledge, unconventional magnetic states driven by van Hove singularities–like spin-density waves–have not been observed experimentally in kagome metals. Here, we report the magnetic and electronic structure of the layered kagome metal CeTi 3 Bi 4 , where Ti kagome electronic structure interacts with a magnetic sublattice of Ce 3+ J eff = 1/2 moments. Neutron diffraction reveals an incommensurate spin-density wave ground state of the Ce 3+ moments, coexisting with commensurate antiferromagnetic order across most of the temperature-field phase diagram. The commensurate component is preferentially suppressed by thermal fluctuations and magnetic field, yielding a rich phase diagram involving an intermediate single-Q spin-density wave phase. First-principles calculations and angle-resolved photoemission spectroscopy identify van Hove singularities near the Fermi level, with the observed magnetic propagation vectors connecting their high density of states, strongly suggesting a van Hove singularity-assisted spin-density wave. These findings establish kagome metals LnTi 3 Bi 4 as a model platform where the characteristic electronic structure of the kagome lattice plays a pivotal role in magnetic order.

36 MATERIALS SCIENCE↗

Farmer characteristics and decision-making: A model for bioenergy crop adoption

We report the commercial development of biofuels and bioproducts depends on whether renewable biomass feedstock is available while not directly competing with the production of food. Farmers are one of the most important stakeholders in the biofuel supply chain and confront a range of uncertainties while entering the bioenergy market. Their decision-making process is extremely complex and rarely purely rational. Modeling farmer behavior requires considering a wide range of individual-level factors, socio-temporal dynamics, institutional settings, and their interactions. These characteristics make agent-based modeling a suitable framework for evaluating such systems. We developed a model to simulate farmer bioenergy crop adoption behavior across a 50-county study region in Nebraska, Kansas, and Colorado. The analysis considers adoption decisions for two bioenergy feedstocks, crop residues and energy crops. We examine the influence of individual and farm characteristics, market structure, social networks, and media influence on farmer adoption decisions. Our results indicate that different factors can have varied impacts on the speed of adoption for the crop residues and energy crops. Identifying levers that have the most impact on grower adoption can inform the design of interventions both from policy and private sector standpoints with important implications for the future the bioenergy industry.

09 BIOMASS FUELS↗

Space shuttle SRM interim contract, part 1

Essential studies and analyses required to integrate the SRM into the booster and overall space shuttle system. Emphasis was placed on the case, nozzle, insulation, and propellant components with resulting performance, weight, and structural load characteristics being generated. Effort conducted during the time period of this contract included studies, analyses, planning, and preliminary design activities. Technical requirements identified in the SRM Project Request for Proposal No. 8-1-4-94-98401 and Thiokol's proposed SRM design (designated Configuration 0) established the basis for this effort. The requirements were evaluated jointly with MSFC and altered where necessary to incorporate new information that evolved after issuance of the RFP and during the course of this interim contract. Revised water impact loads and load distributions were provided based on additional model test data and analytical effort conducted by NASA subsequent to the RFP release. Launch pad peaking loads into the SRM aft skirt were provided which also represented a change from RFP requirements. A modified SRM/External Tank (ET) attachment configuration with new structural load data was supplied by NASA, and direction was received to include a 2 percent inert weight contingency.

Source record↗

Design of High Power Density 100 kW Surface Permanent Magnet Machine with No Heavy Rare Earth Material Using Current Source Inverter for Traction Application

Surface permanent magnet (SPM) machines are appealing candidates for traction applications because of high power density and high efficiency. Rare-earth magnets deliver high performance but raise concerns about material supply dependability, particularly if they use heavy rare-earth materials. This paper presents the design of a high-performance SPM machine without any heavy rare-earth material that is optimized specifically for a current-source inverter (CSI) traction drive. This machine is designed for a constant-power speed ratio (CPSR) of 3. A genetic algorithm has been performed to achieve a target of 50 kW/L active power density at speeds up to 20,000 rpm. Operation at a peak line-to-line voltage of 800 V can be achieved using 1200 V power devices with a safety margin. The predicted electromagnetic and rotor structural performance characteristics are presented using both analytical and finite element analysis (FEA) results.

(CPSR)↗

Structure of turbulence in the presence of uniform shear

The structure of the vorticity field in homogeneous turbulent shear flow is analyzed using a database generated by direct numerical solution of the unsteady Navier-Stokes equations with up to 128x128x128 grid points. For two Reynolds numbers, the probability distribution of the inclination angle of the vorticity vectors, two-point correlations of the velocity and vorticity fields, and the instantaneous vorticity vectors and vortex lines in three-dimensional space were examined. It is shown that homogeneous turbulent shear flow contains a large number of horseshoe vortices. These vortices are most often found in planes inclined at 45 deg to the flow direction and are formed from the roll-up of sheets of transverse vorticity. These findings and similar results obtained in turbulent channel flow, lead to the conclusion that hairpin vortices are the characteristic vortical structures in all turbulent shear flows.

Moin, P.↗

Recent Progress in DIB Research: Survey of PAHS and DIBS

The spectra of several neutral and ionized PAHs isolated in the gas phase at low temperature have been measured in the laboratory under experimental conditions that mimic interstellar conditions and are compared with an extensive set of astronomical spectra of reddened, early type stars [1, 2]. The comparisons of astronomical and laboratory data provide upper limits for the abundances of specific neutral PAH molecules and ions along specific lines-of-sight. Something that is not attainable from infrared observations alone. We present the characteristics of the laboratory facility (COSmIC) that was developed for this study and discuss the findings resulting from the comparison of these unique laboratory data with high resolution, high S/N ratio astronomical observations. COSmIC combines a supersonic free jet expansion with discharge plasma and high-sensitivity cavity ringdown spectroscopy and provides experimental conditions that closely mimic the interstellar conditions. The column densities of the individual neutral PAH molecules and ions probed in these surveys are derived from the comparison of these unique laboratory data with high resolution, high S/N ratio astronomical observations. The comparisons of astronomical and laboratory data lead to clear and unambiguous conclusions regarding the expected abundances for PAHs of various sizes and charge states in the interstellar environments probed in the surveys. Band profile comparisons between laboratory and astronomical spectra lead to information regarding the molecular structures and characteristics associated with the DIB carriers in the corresponding lines-of-sight. These quantitative surveys of neutral and ionized PAHs in the optical range open the way for unambiguous quantitative searches of PAHs and complex organics in a variety of interstellar and circumstellar environments.

Salama, Farid↗

Investigation of the Structural Damping of a Full-scale Airplane Wing

An investigation to determine the structural damping characteristics of a full-scale airplane wing was conducted by the shock-excitation method wherein the wing was loaded to a predetermined deflection and the load suddenly released. The test specimen vibrated at its fundamental bending frequency of 1.69 cycles per second. Only the first 2 or 3 cycles showed any indication of a higher frequency being superimposed upon the fundamental bending frequency. The damping was found to increase from about 0.002 to critical at an amplitude of vibration of plus and minus 0.05 inch to approximately 0.006 of critical at an amplitude of + or - 5 inches.

LOADS AND STRESSES, STRUCTURAL - DYNAMIC↗

Examining conditions supporting the development of anomalous charge structures in supercell thunderstorms in the Southeastern United States

Hypotheses regarding favorable conditions for anomalous charging have primarily resulted from studies within the Great Plains region of the United States, where the efficiency of warm precipitation processes is thought to be fundamental. Rare observations of anomalous charge structures in the Southeastern region challenge existing conceptual models used to explain anomalous charging. As a rigorous evaluation of conditions that support anomalous charge structures, environmental characteristics and bulk kinematic and microphysical properties of two normal and two anomalous supercell thunderstorms observed in the Southeast were compared in this paper. Within the anomalous supercells, greater quantities of precipitation ice were identified at higher altitudes and colder temperatures, suggesting a greater depth of riming growth and increased vertical transport of rimed hydrometeors. Deeper anomalous supercell updrafts were larger and stronger in the upper mixed-phase and glaciated regions. However, normal supercells were characterized by more robust low-level updrafts, resulting in comparable warm cloud residence times that suggested warm precipitation processes were not necessarily less efficient in the anomalous supercells. Indications of enhanced mixed-phase liquid water content in favor of anomalous charging were observed in the anomalous supercells, though contrasts in related environmental parameters were not as large as observed in other comparative studies. Anomalous supercell environments were characterized by increased instability, shallower warm cloud depth, as well as lower relative humidity in the 700 mb to 500 mb layer. Evidence of impacts from dry air in anomalous storm structures suggested that water vapor content may have affected particle-scale charge transfer in support of anomalous charge structure development.

54 ENVIRONMENTAL SCIENCES↗

Oxides and Nitrides with Asymmetric Pore Structure from Block Copolymer Co–Assembly and Non–Solvent Induced Phase Separation

Materials combining an asymmetric pore structure with mesopores everywhere enable high surface area accessibility and fast transport, making them attractive for e.g., energy conversion and storage applications. Block copolymer (BCP)/inorganic precursor co-assembly combined with non-solvent induced phase separation (NIPS) provides a route to materials in which a mesoporous top surface layer merges into an asymmetric support with graded porosity along the film normal and mesopores throughout. Here, the co-assembly and non-solvent-induced phase separation (CNIPS) of poly(isoprene)-b-poly(styrene)-b-poly(4-vinylpyridine) (ISV) triblock terpolymer and titanium dioxide (TiO 2 ) sol-gel nanoparticlesare reported. Heat-treatment in air results in free-standing asymmetric porous TiO 2 . Further thermal processing in ammonia results in free-standing asymmetric porous titanium nitride (TiN). processing changes alter structural membrane characteristics is demonstrated. Changing the CNIPS evaporation time results in various membrane cross-sections ( finger-like to sponge-like). Further, oxide and nitride material composition, crystallinity, and porosity are tuned by varying thermal processing conditions. Finally, thermal processing condition effects are probed on phase-pure asymmetric nitride membrane behavior using cyclic voltammetry to elucidate their influence, e.g., on specific capacitance. Results provide further insights into improving asymmetric and porous materials for applications including energy conversion and storage, separation, and catalysis and motivate a further expansion of CNIPS to other (in)organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ESO Diffuse Interstellar Bands Large Exploration Survey (EDIBLES) - Merging Observations and Laboratory Data

The Diffuse Interstellar Bands (DIBs) are a set of ~500 absorption bands that are detected in the spectra of stars with interstellar clouds in the line of sight. DIBs are found from the NUV to the NIR in the spectra of reddened stars spanning different interstellar environments in our local, and in other galaxies. DIB carriers are a significant part of the interstellar chemical inventory. They are stable and ubiquitous in a broad variety of environments and play a unique role in interstellar physics/chemistry. It has long been realized that the solving of the DIB problem requires a strong synergy between astronomical observations, laboratory astrophysics, and astrophysical modeling of line-of-sights. PAHs are among the molecular species that have been proposed as DIB carriers. We will present an assessment of the PAH-DIB model in view of the progress and the advances that have been achieved over the past years through a series of studies involving astronomical observations of DIBs, laboratory simulation of interstellar analogs for neutrals and ionized PAHs, theoretical calculations of PAH spectra and the modelization of diffuse and translucent interstellar clouds. We will present a summary of what has been learned from these complementary studies, the constraints that can now be derived for the PAHs as DIB carriers in the context of the PAH-DIB model and how these constraints can be applied to the EDIBLES project. The spectra of several neutral and ionized PAHs isolated in the gas phase at low temperature have been measured in the laboratory under experimental conditions that mimic interstellar conditions and are compared with an extensive set of astronomical spectra of reddened, early type stars. The comparisons of astronomical and laboratory data provide upper limits for the abundances of specific neutral PAH molecules and ions along specific lines-of-sight. Something that is not attainable from infrared observations alone. We present the characteristics of the laboratory facilities, MIS and COSmIC, that have been developed for this study and discuss the findings resulting from the comparison of the laboratory data with high resolution, high S/N ratio astronomical observations. MIS stands for Matrix Isolation Spectroscopy, a well-proven technique for isolating cold molecular species in inert solid environments. COSmIC stands for Cosmic Simulation Chamber. It combines a supersonic free jet expansion with discharge plasma and high-sensitivity cavity ringdown spectroscopy and time-of-flight mass spectrometry detection tools for the generation and the detection of cold, isolated gas-phase molecules and ions under experimental conditions that closely mimic interstellar conditions. The column densities of the individual neutral PAH molecules and ions probed in these surveys are derived from the comparison of these unique laboratory data with high resolution, high S/N ratio astronomical observations. The comparisons of astronomical and laboratory data lead to clear and unambiguous conclusions regarding the expected abundances for PAHs of various sizes and charge states in the interstellar environments probed in the surveys. Band profile comparisons between laboratory and astronomical spectra lead to information regarding the molecular structures and characteristics associated with the DIB carriers in the corresponding lines-of-sight. These quantitative surveys of neutral and ionized PAHs in the optical range open the way for unambiguous quantitative searches of PAHs and complex organics in a variety of interstellar and circumstellar environments.

astrophysics↗

Design oriented structural analysis

Desirable characteristics and benefits of design oriented analysis methods are described and illustrated by presenting a synoptic description of the development and uses of the Equivalent Laminated Plate Solution (ELAPS) computer code. ELAPS is a design oriented structural analysis method which is intended for use in the early design of aircraft wing structures. Model preparation is minimized by using a few large plate segments to model the wing box structure. Computational efficiency is achieved by using a limited number of global displacement functions that encompass all segments over the wing planform. Coupling with other codes is facilitated since the output quantities such as deflections and stresses are calculated as continuous functions over the plate segments. Various aspects of the ELAPS development are discussed including the analytical formulation, verification of results by comparison with finite element analysis results, coupling with other codes, and calculation of sensitivity derivatives. The effectiveness of ELAPS for multidisciplinary design application is illustrated by describing its use in design studies of high speed civil transport wing structures.

Giles, Gary L.↗

Temporal Galactose‐Manganese Feeding in Fed‐Batch and Perfusion Bioreactors Modulates UDP‐Galactose Pools for Enhanced mAb Glycosylation Homogeneity

ABSTRACT Monoclonal antibodies (mAbs) represent a majority of biotherapeutics in the market today. These glycoproteins undergo posttranslational modifications, such as N‐linked glycosylation, that influence the structural & functional characteristics of the antibody. Glycosylation is a heterogenous posttranslational modification that may influence therapeutic glycoprotein stability and clinical efficacy, which is why it is often considered a critical quality attribute (CQA) of the mAb product. While much is known about the glycosylation pathways of Chinese Hamster Ovary (CHO) cells and how cell culture chemical modifiers may influence the N‐glycosylation profile of the final product, this knowledge is often based on the final cumulative glycan profile at the end of the batch process. Building a temporal understanding of N‐glycosylation and how mAb glycoform composition responds to real‐time changes in the biomanufacturing process will help build integrated process models that may allow for glycosylation control to produce a more homogenous product. Here, we look at the effect of specific nutrient feed media additives (e.g., galactose, manganese) and feeding times on the N‐glycosylation pathway to modulate N‐glycosylation of a Herceptin biosimilar mAb (i.e., Trastuzumab). We deploy the N‐GLYcanyzer process analytical technology (PAT) to monitor glycoforms in near real‐time for bench‐scale bioprocesses operated in both fed‐batch and perfusion modes to build an understanding of how temporal changes in mAb N‐glycosylation are dependent on specific media additives. We find that Trastuzumab terminal galactosylation is sensitive to media feeding times and intracellular nucleotide sugar pools. Temporal analysis reveals an increased desirable production of single and double galactose‐occupied glycoforms over time under glucose‐starved fed‐batch cultures. Comparable galactosylation profiles were also observed between fed‐batch (nutrient‐limited) and perfusion (non‐nutrient‐limited) bioprocess conditions. In summary, our results demonstrate the utility of real‐time monitoring of mAb glycoforms and feeding critical cell culture nutrients under fed‐batch and perfusion bioprocessing conditions to produce higher‐quality biologics.

Biotechnology & Applied Microbiology↗

The environmental impact of hydropower: a systematic review of the ecological effects of sub-daily flow variability on riverine fish

Hydropower can help facilitate power grid decarbonization because it can respond to short-term changes in power demand and is comparatively more reliable than intermittent wind and solar. However, flexible hydropower operations can create rapid and abnormal fluctuations in downstream flow conditions, which can negatively impact aquatic ecosystems. Accordingly, we conducted a systematic review on the ecological effects of hydropower-driven sub-daily flow variability (SDFV) on riverine fishes. We reviewed and synthesized 109 articles relevant to fish-SDFV relationships from seven sources, most of which focused on Salmonids in North America and northern and western Europe and were published in the last 15 years. We found strong agreement in the literature that SDFV increases fish stranding risk, destabilizes habitat, and decreases production and diversity. We found moderate agreement that SDFV interrupts fish reproduction, increases or has no impact on condition, and prompts or discourages movement depending on local channel conditions. We found little to no agreement for relationships between SDFV and mortality, physiology, and behavior. The effects of SDFV on riverine fish ecology are intertwined in the complex suite of biotic and abiotic characteristics that structure aquatic ecosystems and are highly site-, species-, and life stage-specific. Assessments of the impact of SDFV on fish ecology should first characterize local habitat and channel quality and fish community composition to identify specific, measurable ecological outcomes to sustain or enhance, and then design mitigation strategies tailored to those ecological objectives.

13 HYDRO ENERGY↗

Graph coarsening: from scientific computing to machine learning

Abstract The general method of graph coarsening or graph reduction has been a remarkably useful and ubiquitous tool in scientific computing and it is now just starting to have a similar impact in machine learning. The goal of this paper is to take a broad look into coarsening techniques that have been successfully deployed in scientific computing and see how similar principles are finding their way in more recent applications related to machine learning. In scientific computing, coarsening plays a central role in algebraic multigrid methods as well as the related class of multilevel incomplete LU factorizations. In machine learning, graph coarsening goes under various names, e.g., graph downsampling or graph reduction. Its goal in most cases is to replace some original graph by one which has fewer nodes, but whose structure and characteristics are similar to those of the original graph. As will be seen, a common strategy in these methods is to rely on spectral properties to define the coarse graph.

Chen, Jie↗