Origin of Long-Range Ferromagnetic Ordering in Metal-Organic Frameworks with Antiferromagnetic Dimeric-Cu(II) Building Units
Abstract not provided
36 MATERIALS SCIENCE↗
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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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Investigations into the assembly behaviour of a ‘rigidified’ p -carboxylatocalix[4]arene
The p-carboxylatocalix[4]arenes have been shown to be versatile supramolecular building blocks capable of forming a range of bi-layers, capsules and nanoscale tubules in the solid state. In this work, we report the synthesis of a new ‘rigidified’ analogue, as well as investigations into its self-assembly and related coordination chemistry. These behaviours are reminiscent of other p-carboxylatocalix[4]arenes despite the presence of rigidifying groups at the lower-rim, suggesting that this building block may be further exploited in the assembly of a range of new metal–organic cages and coordination polymers.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Stacked charge stripes in the quasi-2D trilayer nickelate La 4 Ni 3 O 8
Significance Competition between localized and itinerant electrons in highly correlated materials can lead to myriad insulating ground states, including spatially inhomogeneous but ordered charge superlattices. In layered transition metal oxides, such charge order can take the form of stripes, which typically arrange themselves in staggered formations to reduce Coulomb repulsion. Having achieved single-crystal growth of the layered nickelate La 4 Ni 3 O 8 , we show that its heretofore incompletely understood phase transition is associated with charge stripe ordering. We find that the stripes are stacked directly on top of one another within nickel oxide trilayers but staggered between successive trilayers. A unique, paradoxical ground state results, in which the electrostatic building principle is respected at long range but violated at short range.
36 MATERIALS SCIENCE↗
DISCOVERY OF SiO BAND EMISSION FROM GALACTIC B[e] SUPERGIANTS
B[e] supergiants (B[e]SGs) are evolved massive stars in a short-lived transition phase. During this phase, these objects eject large amounts of material, which accumulate in a circumstellar disk-like structure. The expelled material is typically dense and cool, providing the cradle for molecule and dust condensation and for a rich, ongoing chemistry. Very little is known about the chemical composition of these disks, beyond the emission from dust and CO revolving around the star on Keplerian orbits. As massive stars preserve an oxygen-rich surface composition throughout their life, other oxygen-based molecules can be expected to form. As SiO is the second most stable oxygen compound, we initiated an observing campaign to search for first-overtone SiO emission bands. We obtained high-resolution near-infrared L-band spectra for a sample of Galactic B[e]SGs with reported CO band emission. We clearly detect emission from the SiO first-overtone bands in CPD-52 9243 and indications for faint emission in HD 62623, HD 327083, and CPD-57 2874. From model fits, we find that in all these stars the SiO bands are rotationally broadened with a velocity lower than observed in the CO band forming regions, suggesting that SiO forms at larger distances from the star. Hence, searching for and analyzing these bands is crucial for studying the structure and kinematics of circumstellar disks, because they trace complementary regions to the CO band formation zone. Moreover, since SiO molecules are the building blocks for silicate dust, their study might provide insight in the early stage of dust formation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A Survey of Thermal Sensing Application in Additive Manufacturing
Industry 4.0 represents a significant change in manufacturing with the inclusion of such technologies as additive manufacturing and data analytics. In support of these changes, infrared thermal imaging (IR) and very-near infrared (VNIR) have proven invaluable in numerous applications related to additive manufacturing. In this review, these applications will be presented as they relate to polymer and metal-based additive manufacturing processes. Applications including in-situ characterization, post-build analysis, experimental setups, modeling, and machine learning will be covered. With a general overview complete, the review will conclude with a discussion of challenges identified throughout the literature and thoughts on future trends.
Borish, Michael↗
Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)
In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Constraints on the Nature and Distribution of Iridium Host Phases at the Cretaceous-Tertiary Boundary: Implications for Projectile Identity and dispersal on impact
Among Cretaceous-Tertiary boundary sites worldwide, variations in the concentrations and ratios of elements commonly enriched in meteorites complicate traditional geochemical attempts at impactor identification. Yet they may provide constraints on the physical and chemical processes associated with large-body disruption and dispersal, as well as with diagenesis of projectile components. To this end, we continue our efforts to identify the mineral host-phases of projectile-derived elements, particularly for Ir, and to document their partitioning between crater deposits and ejecta resulting from the Chicxulub basin-forming impact. Building on earlier work, we used INAA to measure Ir concentrations in successively smaller splits of finely powdered impact melt breccia from the Chicxulub Crater in Mexico (sample Y6Nl9-R(b)), and K/T boundary fish clay from Stevns Klint, Denmark (sample FC-1, split from 40 kg of homogenized material intended as an analytical standard). Results for the Chicxulub sample show a heterogeneous Ir distribution and document that at least five discrete Ir-bearing host phases were isolated in subsequent splits, having Ir masses equivalent to pure Ir spheres from about 0.8 to about 3.5 mm in diameter. Three of these are within a sufficiently reduced mass of powder to warrant searching for them using backscattered electron microscopy. In contrast, successively smaller splits of the Stevns Klint fish clay show no statistically significant deviation from the reported value of 32 +/- 2 ng/g Ir, suggesting a uniform Ir host-phase distribution. For the smallest split obtained thus far (100 +/- 40 ng/g Ir), a pure Ir sphere of equivalent Ir mass would be <0.05 min in diameter. (n.b. Although homogenizing and sieving of FC-1 to <75 min obviously obscured variations in stratigraphic distribution, it is unlikely to have affected the size-frequency distribution of Ir host phases.) We previously identified micrometer-scale Ir host phases by electron microscopy in melt-rock samples from two widely separated drill holes at the Chicxulub Basin, including a replicate split of Y6-NI9-R. One is an aggregate of subhedral Ir metal grains enclosed in silicate, in which no other Pt group elements (PGE) were detected. A second particle with twice the mass as the first, concentrated predominantly in a single grain, is associated with minor concentrations of Os, Ru, and Pt, and with adhering particles of corundum and perovskite. A third Ir-rich particle, with a greater apparent Os concentration, was identified before being lost as a result of charging under the electron beam. In addition to demonstrating the preservation of projectile components within the Chicxulub Crater, analogous phase associations in Ca- and Al-rich inclusions (CAI) from C2 and C3 chondrites suggest to us that these melt-rock Ir host phases are relics from a carbonaceous chondrite K/T boundary impactor Although the obviously low Ru/Ir ratios of the Chicxulub Ir host phases are qualitatively consistent with suggested PGE fractionation with distance during condensation in an ejecta cloud, it seems difficult to explain the accumulation of the about 3 x 10(exp 11) Ir atoms required to form a about 10(exp -10) g nugget of pure Ir metal within a jet of vaporized projectile expanding at 1-4 km/s, or to effectively exclude or remove commonly alloyed PGE and siderophile elements by fractionation processes resulting from condensation, oxidation, sulfidization, exsolution, or autometamorphism during cooling of the melt. We do not dismiss the importance of these processes entirely; on the contrary, other geochemical and mineralogical aspects of the melt rocks require them, and condensation from the expanding ejecta cloud appears to best explain the primary Ir host-phase distribution in the fish clay, as well as the high Ir concentrations associated with spinel-bearing spheroids at the K/T boundary in the Pacific Ocean . If the "relict" hypothesis is correct, micronuggets of other PGEs and alloys, not detected by our INAA screening, should also occur in the melt rocks. Possibly, the discrete host phases with lesser Ir masses are such alloys with subordinate Ir, rather than simply smaller, predominantly Ir-bearing particles. A CAI source for the relics would be consistent with either a comet or an asteroid K/T impact at Chicxulub. (Additional information contained in the original.)
Schuraytz, B. C.↗
Galaxy bias from the Dark Energy Survey Science Verification data: Combining galaxy density maps and weak lensing maps
We measure the redshift evolution of galaxy bias for a magnitude-limited galaxy sample by combining the galaxy density maps and weak lensing shear maps for a ~116 deg 2 area of the Dark Energy Survey (DES) Science Verification (SV) data. This method was first developed in Amara et al. and later re-examined in a companion paper with rigorous simulation tests and analytical treatment of tomographic measurements. In this work we apply this method to the DES SV data and measure the galaxy bias for a i < 22.5 galaxy sample. We find the galaxy bias and 1σ error bars in four photometric redshift bins to be 1.12 ± 0.19 (z = 0.2–0.4), 0.97 ± 0.15 (z = 0.4–0.6), 1.38 ± 0.39 (z = 0.6–0.8), and 1.45 ± 0.56 (z = 0.8–1.0). These measurements are consistent at the 2σ level with measurements on the same data set using galaxy clustering and cross-correlation of galaxies with cosmic microwave background lensing, with most of the redshift bins consistent within the 1σ error bars. In addition, our method provides the only σ8 independent constraint among the three. We forward model the main observational effects using mock galaxy catalogues by including shape noise, photo-z errors, and masking effects. We show that our bias measurement from the data is consistent with that expected from simulations. With the forthcoming full DES data set, we expect this method to provide additional constraints on the galaxy bias measurement from more traditional methods. Moreover, in the process of our measurement, we build up a 3D mass map that allows further exploration of the dark matter distribution and its relation to galaxy evolution.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Research Report: Building a Wide Reach Corpus for Secure Parser Development
Whether developing from a specification or deriving parsers from samples, LangSec parser developers require widereach corpora of their target file format in order to identify key edge cases or common deviations from the format’s specification. In this work-in-progress paper, we report the details of several methods we’ve used to gather 30 million files, extract features and make these features amenable to search and other analytics. This paper documents opportunities and limitations of some popular open source data and tools and this paper will benefit researchers who need to efficiently gather a large file corpus.
Timmaraju, Virisha↗
Differential equations from unitarity cuts: nonplanar hexa-box integrals
We compute ϵ-factorized differential equations for all dimensionally-regularized integrals of the nonplanar hexa-box topology, which contribute for instance to 2-loop 5-point QCD amplitudes. A full set of pure integrals is presented. For 5-point planar topologies, Gram determinants which vanish in 4 dimensions are used to build compact expressions for pure integrals. Using unitarity cuts and computational algebraic geometry, we obtain a compact IBP system which can be solved in 8 hours on a single CPU core, overcoming a major bottleneck for deriving the differential equations. Alternatively, assuming prior knowledge of the alphabet of the nonplanar hexa-box, we reconstruct analytic differential equations from 30 numerical phase-space points, making the computation almost trivial with current techniques. We solve the differential equations to obtain the values of the master integrals at the symbol level. Full results for the differential equations and solutions are included as supplementary material.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
ASSESSMENT OF THE POTENTIAL FOR HYDROGEN GENERATION DURING GROUTING OPERATIONS IN C-REACTOR DISASSEMBLY BASIN
C-reactor disassembly basin is being prepared for deactivation and decommissioning (D and D). D and D activities will consist primarily of immobilizing contaminated scrap components and structures in a grout-like formulation. The disassembly basin will be the first area of the C-reactor building that will be immobilized. The scrap components contain aluminum alloy materials. Any aluminum will corrode very rapidly when it comes in contact with the very alkaline grout (pH > 13), and as a result would produce hydrogen gas. To address this potential deflagration/explosion hazard, Savannah River National Laboratory (SRNL) reviewed and evaluated existing experimental and analytical studies of this issue to determine if any process constraints are necessary. The risk of accumulation of a flammable mixture of hydrogen above the surface of the water during the injection of grout into the C-reactor disassembly area is low if the assessment of the aluminum surface area is reliable. Conservative calculations estimate that there is insufficient aluminum present in the basin areas to result in significant hydrogen accumulation in this local region. The minimum safety margin (or factor) on a 60% LFL criterion for a local region of the basin (i.e., Horizontal Tube Storage) was greater than 3. Calculations also demonstrated that a flammable situation in the vapor space above the basin is unlikely. Although these calculations are conservative, there are some measures that may be taken to further minimize the risk of developing a flammable condition during grouting operations.
08 HYDROGEN↗
MELCOR Accident Progression and Source Term Demonstration Calculations for a FHR
MELCOR is an integrated thermal hydraulics, accident progression, and source term code for reactor safety analysis that has been developed at Sandia National Laboratories for the United States Nuclear Regulatory Commission (NRC) since the early 1980s. Though MELCOR originated as a light water reactor (LWR) code, development and modernization efforts have expanded its application scope to include non-LWR reactor concepts. Current MELCOR development efforts include providing the NRC with the analytical capabilities to support regulatory readiness for licensing non-LWR technologies under Strategy 2 of the NRC's near- term Implementation Action Plans. Beginning with the Next Generation Nuclear Project (NGNP), MELCOR has undergone a range of enhancements to provide analytical capabilities for modeling the spectrum of advanced non-LWR concepts. This report describes the generic plant model developed to demonstrate MELCOR capabilities to perform fluoride-salt-cooled high-temperature reactor (FHR) safety evaluations. The generic plant model is based on publicly-available FHR design information. For plant aspects (e.g., reactor building leak rate and details of the cover-gas system) that are not described in the FHR references, the analysts made assumptions needed to construct a MELCOR full-plant model. The FHR model uses a TRi-structural ISOtropic (TRISO)-particle fuel pebble-bed reactor with a primary system rejecting heat to two coiled tube air heat ex changers. Three passive direct reactor auxiliary cooling systems provide heat removal to supplement or replace the emergency secondary system heat removal during accident conditions. Surrounding the reactor vessel is a low volume reactor cavity that insulates the reactor with fire bricks and thick concrete walls. A refractory reactor liner system provides water cooling to reduce the concrete wall temperatures. Example calculations are performed to show the plant response and MELCOR capabilities to characterize a range of accident conditions. The accidents selected for evaluation consider a range of degraded and failed modes of operation for key safety functions providing reactivity control, the primary system decay heat removal and also a piping leak of the line to the coolant drain tank.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Pb, Sr, Nd, and Hf isotopic constraints on the origin of Hawaiian basalts and evidence for a unique mantle source
The isotopic Pb, Sr, Nd, and Hf compositions of rocks from nine Hawaiian volcanos are determined using the analytical procedures described by Tatsumoto and Unruh (1976) and Patchett and Tatsumoto (1980). The results are presented in graphs, tables, and maps and characterized in detail. The mantle plume, the oceanic lithosphere, and the depleted mantle are identified as distinct sources of the Hawaiian basalts, with different mechanisms responsible for the formation of shield-building tholeiites, late-stage alkalic rocks, and posterosional basalts. The uniqueness of the Hawaiian basalts and the possibility that the Koolau end member represents an undepleted 'primitive' mantle reservoir are considered.
Stille, P.↗
Application of ray tracing in radiation heat transfer
This collection of presentation figures displays the capabilities of ray tracing for radiation propagation calculations as compared to an analytical approach. The goal is to introduce the terminology and solution process used in ray tracing, and provide insight into radiation heat transfer principles and analysis tools. A thermal analysis working environment is introduced that solves demanding radiation heat transfer problems based on ray tracing. This information may serve as a reference for designing and building ones own analysis environment.
Baumeister, Joseph F.↗
NASA Ares I Launch Vehicle Upper Stage Reaction Control System (ReCS) Cold Flow Development Test Overview
NASA s Ares I launch vehicle, consisting of a five segment solid rocket booster first stage and a liquid bi-propellant J2-X engine Upper Stage, is the vehicle that s been chosen to launch the Orion Crew Module, which will return humans to the Moon, Mars, and beyond. After First Stage booster separation, the Reaction Control System (ReCS), a monopropellant hydrazine system, will provide the Upper Stage element with three degrees of freedom control as needed. This paper provides an overview of the system level development testing that has taken place on the Ares I launch vehicle Upper Stage ReCS. The ReCS System Development Test Article (SDTA) was built as a flight representative water flow test article whose primary test objective was to obtain fluid system performance data to evaluate the integrate system performance characteristics and verify analytical models. Water is the industry standard for cold flow testing of hydrazine systems, because the densities are very close and the speeds of sound are well characterized. The completion of this development level test program was considered necessary to support the ReCS Critical Design Review. This paper will address the design approach taken in building the test article, the objectives of the test program, types of testing completed, general results, the ability of the program to meet the test objectives, and lessons learned
Dervan, Melanie↗
Tracking Community Building in Open Science
Open Science is enabled by a vibrant community of researchers who regularly engage with the data, from its production to its organization, curation, archiving, dissemination, analysis, and publication. This presentation will examine community building in open science. The NASA Open Science Data Repository (OSDR) makes data available to the public following the FAIR (Findability, Accessibility, Interoperability, and Reusability) principles. OSDR takes open science further with the OS Analysis Working Groups (AWGs) that facilitate community development and promotion. The primary activity of each AWG is to establish and validate analytical processes to generate higher-order data from data housed in OSDR. There are a number of these groups on various topics, including the Animal AWG, Plant AWG, Microbial AWG, Multi-Omics AWG, AI/ML AWG, and the Ames Life Sciences Data Archive (ALSDA) AWG. The international volunteers participating in these AWGs come from academia, citizen science initiatives, industry, and government. They include researchers, principal investigators, professors, trained hobbyists, and students from various domains and disciplines. Anyone may request to join the AWGs, and membership requests are vetted monthly by the group organizers before granting admission. Core to membership is demonstrated expertise through records of training, integrity, work in the professed domain(s), and good community standing. Regular virtual meetings are held for each AWG, with a varying cadence depending on the group's needs and goals. AWG communities share their expertise in research including cutting edge tools, software, frameworks, data formats, and libraries accelerating research collectively. This collaborative approach helps community members cross technology gaps and identify emerging challenges. These diverse communities encompass a wide range of individuals hailing from various sectors within the Science Mission Directorate and beyond. They serve as a means to promote and enhance transparency, accessibility, and inclusion. An annual AWG Symposium brings contributors together in person. Participation in AWGs can be synchronous or asynchronous, with some groups performing most of their work in off hours. Participants gain valuable skills and connections that allow them to add value to their communities and new organizations that they join, resulting in an expanded return on investment for the space life science community. Open science is increasingly a federal mandate and initiatives like NASA's Transform to Open Science and instruments like the Decadal Survey of Biological and Physical Sciences in Space demonstrate the need to carefully consider best practices in this domain. Here, we present greater detail about the makeup and participation metrics of the various AWGs affiliated with OSDR and details of successful peer-reviewed publication campaigns.
Christina M Johnson↗
Tracking Community Building in Open Science
Open Science is enabled by a vibrant community of researchers who regularly engage with the data, from its production to its organization, curation, archiving, dissemination, analysis, and publication. This presentation will examine community building in open science. The NASA Open Science Data Repository (OSDR) makes data available to the public following the FAIR (Findability, Accessibility, Interoperability, and Reusability) principles. OSDR takes open science further with the OS Analysis Working Groups (AWGs) that facilitate community development and promotion. The primary activity of each AWG is to establish and validate analytical processes to generate higher-order data from data housed in OSDR. There are a number of these groups on various topics, including the Animal AWG, Plant AWG, Microbial AWG, Multi-Omics AWG, AI/ML AWG, and the Ames Life Sciences Data Archive (ALSDA) AWG. The international volunteers participating in these AWGs come from academia, citizen science initiatives, industry, and government. They include researchers, principal investigators, professors, trained hobbyists, and students from various domains and disciplines. Anyone may request to join the AWGs, and membership requests are vetted monthly by the group organizers before granting admission. Core to membership is demonstrated expertise through records of training, integrity, work in the professed domain(s), and good community standing. Regular virtual meetings are held for each AWG, with a varying cadence depending on the group's needs and goals. AWG communities share their expertise in research including cutting edge tools, software, frameworks, data formats, and libraries accelerating research collectively. This collaborative approach helps community members cross technology gaps and identify emerging challenges. These diverse communities encompass a wide range of individuals hailing from various sectors within the Science Mission Directorate and beyond. They serve as a means to promote and enhance transparency, accessibility, and inclusion. An annual AWG Symposium brings contributors together in person. Participation in AWGs can be synchronous or asynchronous, with some groups performing most of their work in off hours. Participants gain valuable skills and connections that allow them to add value to their communities and new organizations that they join, resulting in an expanded return on investment for the space life science community. Open science is increasingly a federal mandate and initiatives like NASA's Transform to Open Science and instruments like the Decadal Survey of Biological and Physical Sciences in Space demonstrate the need to carefully consider best practices in this domain. Here, we present greater detail about the makeup and participation metrics of the various AWGs affiliated with OSDR and details of successful peer-reviewed publication campaigns.
Christina M Johnson↗
Assessment of Some IASMS-relevant Data Sources for Aviation Safety
An In-time Aviation Safety Management System (IASMS) [1,2] is a set of services, functions, and capabilities (SFCs) necessary for monitoring known hazards and emergent risks, assessing safety data for anomalies, precursors, and trends, mitigating hazards that reach safety thresholds, and assuring efficacy of controls in mitigating hazards. An IASMS will continually monitor the NAS to collect data on the status of aircraft, air traffic management systems, weather, and airports. Within the NASA Aeronautics Research Mission Directorate (ARMD) System-Wide Safety (SWS) project’s technical challenge called In-time Aviation Safety Management Systems (IASMS) for Commercial Aviation Operations, which we often refer to as Technical Challenge 6 (TC-6), we have performed an assessment of several aviation data sources we have found that are relevant to assessing the safety of the National Airspace System (NAS) in the context of an IASMS. This assessment includes understanding the nature of the data themselves and using some data analytics tools on these data to show how they can be used to identify potential safety issues. We also describe how the data and analytics are part of a system that can allow for other data and analytics to be performed and for the results to be visualized for use by appropriate operators to identify potential safety issues and develop mitigations. This report is a step toward the ultimate goal of TC-6, which is to develop a prototype IASMS system that demonstrates the potential of an IASMS and inspire operators to build analogous systems to make the best possible use of the significant investments that they make in collecting, storing, and managingdata related to their operations.
aviation safety↗