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At least 847 records · Page 47

Luminescent microporous metal–organic framework with functional Lewis basic sites on the pore surface: Quantifiable evaluation of luminescent sensing mechanisms towards Fe{sup 3+}

A systematic study has been conducted on a novel luminescent metal-organic framework, ([Zn(bpyp)(L-OH)]·DMF·2H{sub 2}O){sub n} (1), to explore its sensing mechanisms to Fe{sup 3+}. Structure analyses show that compound 1 exist pyridine N atoms and -OH groups on the pore surface for specific sensing of metal ions via Lewis acid-base interactions. On this consideration, the quenching mechanisms are studied and the processes are controlled by multiple mechanisms in which dynamic and static mechanisms are calculated, achieving the quantification evaluation of the quenching process. This work not only achieves the quantitative evaluation of the luminescence quenching but also provides certain insights into the quenching process, and the possible mechanisms explored in this work may inspire future research and design of target luminescent metal-organic frameworks (LMOFs) with specific functions. - Graphical abstract: A systematic study has been conducted on a novel luminescent metal-organic framework to explore its sensing mechanisms to Fe{sup 3+}. The quenching mechanisms are studied and the processes are controlled by multiple mechanisms in which dynamic and static mechanisms are calculated, achieving the quantification evaluation of the quenching process. - Highlights: • A novel porous luminescent MOF containing uncoordinated groups in interlayer channels was successfully synthesized. • The compound 1 can exhibit significant luminescent sensitivity to Fe{sup 3+}, which make its good candidate as luminescent sensor. • The corresponding dynamic and static quenching constants are calculated, achieving the quantification evaluation of the quenching process.

36 MATERIALS SCIENCE↗

Thickening compositions, and related materials and processes

A silicone polymer is provided, modified with at least one functional group from the class of anthraquinone amide groups; anthraquinone sulfonamide groups; thioxanthone amide groups; or thioxanthone sulfone amide groups. The polymer can be combined with a hydrocarbon solvent or with supercritical carbon dioxide (CO.sub.2), and is very effective for increasing the viscosity of either medium. A process for the recovery of oil from a subterranean, oil-bearing formation is also described, using supercritical carbon dioxide modified with the functionalized silicone polymer. A process for extracting natural gas or oil from a bedrock-shale formation is also described, again using the modified silicone polymer.

36 MATERIALS SCIENCE↗

Intelligent Experiments Through Real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and Future EIC Detectors (Final Report)

The overall vision of this project was to integrate real-time artificial intelligence (AI) directly into the data acquisition and detector-control systems of nuclear physics experiments, including both fast online event selection and an autonomous detector-control feedback loop. The work carried out under the award focused on the fast online event-selection half of that vision: the efficient recording of low-momentum heavy-flavor (HF) hadron decays in proton-proton collisions at the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC)—an observable that requires fast tracking and topological trigger selection not previously demonstrated at RHIC, and that is essential for QCD studies at future facilities such as the Electron-Ion Collider (EIC). The autonomous detector-control (GPU-based feedback) component named in the project title remained a design concept and was not implemented under this award. The Massachusetts Institute of Technology (MIT) group led the offline simulation and data processing needed to train the machine-learning (ML) models, the translation of trained models to Field-Programmable Gate Array (FPGA) firmware using the hls4ml framework, and the physics validation of heavy-flavor reconstruction. Over the award period, the team developed and hardware-tested the principal components of an AI-based heavy-flavor trigger on simulated and recorded sPHENIX tracker data: a software Bipartite Graph Attention Network (BiGAT) trigger model reaching > 95% signal efficiency at 99% background rejection; an FPGA-native hit clusterizer matching the offline clustering; smaller networks synthesized to FPGA within the required sub-10 µs latency; and an assembled decoder–clusterizer–inference firmware chain exercised on the FELIX readout board. A complete, fully integrated hardware demonstrator was not finished within the award period. This report documents the project goals, the MIT group’s contributions, the technical accomplishments, and the outlook toward applications at the future EIC ePIC detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Low Melt Viscosity Resins for Resin Transfer Molding

In recent years, resin transfer molding (RTM) has become one of the methods of choice for high performance composites. Its cost effectiveness and ease of fabrication are major advantages of RTM. RTM process usually requires resins with very low melt viscosity (less than 10 Poise). The optimum RTM resins also need to display high thennal-oxidative stability, high glass transition temperature (T(sub g)), and good toughness. The traditional PMR-type polyimides (e.g. PMR-15) do not fit this requirement, because the viscosities are too high and the nadic endcap cures too fast. High T(sub g), low-melt viscosity resins are highly desirable for aerospace applications and NASA s Reusable Launch Vehicle (RLV) program. The objective of this work is to prepare low-melt viscosity polyimide resins for RTM or resin film infusion (RFI) processes. The approach involves the synthesis of phenylethynyl-terminated imide oligomers. These materials have been designed to minimize their melt viscosity so that they can be readily processed. During the cure, the oligomers undergo both chain extension and crosslinking via the thermal polymerization of the phenylethynyl groups. The Phenylethynyl endcap is preferred over the nadic group due to its high curing temperature, which provides broader processing windows. This work involved the synthesis and polymerization of oligomers containing zig-zag backbones and twisted biphenyl structures. Some A-B type precursors which possessed both nitro and anhydride functionality, or both nitro and amine functionality, were also synthesized in order to obtain the well defined oligomers. The resulting zig-zag structured oligomers were then end-capped with 4-phenylethynylphthalic anhydride (PEPA) for further cure. The properties of these novel imide oligomers are evaluated.

Harris, Frank W.↗

Derivatization of Dextran for Multiply Charged Ion Formation and Electrospray Ionization Time-of-Flight Mass Spectrometric Analysis

We present the use of a simple, one-pot derivatization to allow the polysaccharide dextran to carry multiple positive charges, shifting its molecular weight distribution to a lower m/z range. We performed this derivatization because molecular weight measurements of polysaccharides by mass spectrometry are challenging because of their lack of readily ionizable groups. The absence of ionizable groups limits proton abstraction and suppresses proton adduction during the ionization process, producing mass spectra with predominantly singly charged metal adduct ions, thereby limiting the detection of large polysaccharides. To address this challenge, we derivatized dextran T1 (approximately 1 kDa) by attaching ethylenediamine, giving dextran readily ionizable, terminal amine functional groups. The attached ethylenediamine groups facilitated proton adduction during the ionization process in positive ion mode. Using the low molecular weight dextran T1, we tracked the number of ethylenediamine attachments by measuring the mass shift from underivatized to derivatized dextran T1. Using electrospray ionization time-of-flight mass spectrometry, we observed derivatized dextran chains ranging from two to nine glucose residues with between one and four attachments/charges. Our success in shifting derivatized dextran T1 toward the low m/z range suggests potential for this derivatization as a viable route for analysis of high molecular weight polysaccharides using electrospray ionization time-of-flight mass spectrometry. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modern Microbial Ecosystems are a Key to Understanding Our Biosphere's Early Evolution and its Contributions To The Atmosphere and Rock Record

The survival of our early biosphere depended upon efficient coordination anion- diverse microbial populations. Microbial mats exhibit a 3.46-billion-year fossil record, thus they are the oldest known ecosystems. Photosynthetic microbial mats were key because, today, sunlight powers more than 99 percent of global primary productivity. Thus photosynthetic ecosystems have affected the atmosphere profoundly and have created the most pervasive, easily-detected fossils. Photosynthetic biospheres elsewhere will be most detectible via telescopes or spacecraft. As a part of the Astrobiology Institute, our Ames Microbial Ecosystems group examines the roles played by ecological processes in the early evolution of our biosphere, as recorded in geologic fossils and in the macromolecules of living cells: (1) We are defining the microbial mat microenvironment, which was an important milieu for early evolution. (2) We are comparing mats in contrasting environments to discern strategies of adaptation and diversification, traits that were key for long-term survival. (3) We have selected sites that mimic key environmental attributes of early Earth and thereby focus upon evolutionary adaptations to long-term changes in the global environment. (4) Our studies of gas exchange contribute to better estimates of biogenic gases in Earth's early atmosphere. This group therefore directly addresses the question: How have the Earth and its biosphere influenced each other over time Our studies strengthen the systematics for interpreting the microbial fossil record and thereby enhance astrobiological studies of martian samples. Our models of biogenic gas emissions will enhance models of atmospheres that might be detected on inhabited extrasolar planets. This work therefore also addresses the question: How can other biospheres be recogniZed" Our choice of field sites helps us explore Earth's evolving early environment. For example, modern mats that occupy thermal springs and certain freshwater environments experience conditions such as low O2 and sulfate and high inorganic carbon and sulfide levels that resemble those of ancient marine environments. Later in history, both biologically-induced carbonate precipitation and the trapping and binding of suspended grains of carbonate became a dominant mechanism for carbonate deposition. Modern marine carbonate platforms and alkaline offer good examples of microbiologically-induced calcification. Both marine platforms and solar salterns illustrate microbially-driven trapping and binding. We are also exploring the effects of water composition upon the exchange of biogenic gases with the atmosphere.

DesMarais, David J.↗

Soot formation in non-premixed counterflow flames of butane and butanol isomers

Soot formation processes for butane and butanol isomers have been experimentally explored and compared in a counterflow non-premixed flame configuration at atmospheric pressure. Non-intrusive laser-based diagnostic techniques, including Laser Induced Incandescence and Light Extinction, have been adopted for soot volume fraction measurements. Experimental results of these C 4 fuels have been compared to illustrate the effects of hydroxyl (–OH) group and the isomeric structures on soot formation process. Under the investigated conditions, butane isomers were observed to form more soot than butanol isomers, thereby showing the effect of the hydroxyl group. The effects of isomeric structural differences on sooting propensity were also observed within the butane and butanol isomers. In addition, while soot volume fraction was seen to increase with increasing fuel mole fraction, the ranking of sooting propensity for these C 4 fuels remained unchanged. Effects of varying strain rate and oxygen mole fraction on soot formation were studied herein as well. For each isomeric class, two chemical kinetic models available in the literature were used to simulate and compare the spatially-resolved profiles of the soot precursors. The amount of soot precursors predicted by the models was different and the initial fuel breaking pathways were also found to differ significantly. Moreover, no direct correlation between the computed mole fractions of soot precursors and the measured amount of soot formed in the present experimental conditions was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transformation of 2D group-III selenides to ultra-thin nitrides: enabling epitaxy on amorphous substrates

Here, the experimental realization of two-dimensional (2D) gallium nitride (GaN) has enabled the exploration of 2D nitride materials beyond boron nitride. Here we demonstrate one possible pathway to realizing ultra-thin nitride layers through a two-step process involving the synthesis of naturally layered, group-III chalcogenides (GIIIC) and subsequent annealing in ammonia (ammonolysis) that leads to an atomic-exchange of the chalcogen and nitrogen species in the 2D-GIIICs. The effect of nitridation differs for gallium and indium selenide, where gallium selenide undergoes structural changes and eventual formation of ultra-thin GaN, while indium selenide layers are primarily etched rather than transformed by nitridation. Further investigation of the resulting GaN films indicates that ultra-thin GaN layers grown on silicon dioxide act as effective 'seed layers' for the growth of 3D GaN on amorphous substrates.

2D materials↗

Panel Session 57: Nuclear Power Plant Waste Management - LLW Processor Issues

This panel resulted in senior utility managers discussing issues with commercial LLW processors. LLW processors updated utilities/NPPs on new or different services or technologies being offered to assist in their radioactive waste management goals, changes to their facility license, revisions to their acceptance guidelines, and emerging compliance issues. Presentations proposed include: 1 - EnergySolutions Waste Processing Overview (Joe Heckman, EnergySolutions (USA)); 2 - Perma-Fix: A Nuclear Services and Waste Management Company (John Kelly, Perma-Fix Environmental Services (USA)); 3 - UniTech - 'Expanding to Reduce Costs' LLW Processor Update (Gregg Johnstone, UniTech Services Group, Inc. (USA)); 4 - Low - Level Radioactive Materials Processing (Michael Miller, Veolia Nuclear Solutions (USA))

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MAX '91: An advanced payload for the exploration of high energy processes on the active sun

The results of a NASA science working group established to study a follow-on to the Solar Maximum Mission are given. A complement of instruments is suggested, with the primary objective of studying the physics of energetic processes in cosmic plasmas by observing high-energy phenomena in solar flares. High-quality flare observations will be possible with these instruments during the next peak in solar activity expected to last from 1990 through at least 1995. The primary objective of MAX '91 is to study energetic processes in cosmic plasmas by observing high-energy phenomena in solar flares. These processes, which are of general astrophysical importance, include energy release, particle acceleration, and energy transport. Results from comprehensive observing programs conducted during the last solar cycle have demonstrated the great scientific potential of high-energy emissions for addressing these central physical processes. Consequently, a payload optimized for observations of high-energy solar flare phenomena is suggested for MAX '91. It consists of the following four specific instruments: (1) a Fourier-transform X-ray and gamma-ray imager covering the energy range from a few keV to 1 MeV with arcsecond spatial resolution; (2) a cooled germanium X-ray and gamma-ray spectrometer with keV spectral resolution covering the energy range from 10 keV to 50 MeV; (3) Bragg spectrometers with high spectral resolution at wavelengths between 1 and 9 angstrons; and (4) a soft X-ray, EUV, or UV imaging instrument with arcsecond spatial resolution.

Source record↗

Detection and quantitation of right ventricular reversible perfusion defects by stress SPECT myocardial perfusion imaging: A proof-of-principle study

Background: In patients with right dominant coronary circulation, the right ventricular (RV) myocardium and the inferior region of the left ventricular (LV) myocardium share a common source of blood flow. We hypothesized that stress/rest SPECT myocardial perfusion imaging (MPI) could detect reversible perfusion defects in the RV in some patients with LV inferior wall perfusion abnormalities. Material and Methods: We identified 2 groups of patients with LV inferior wall perfusion defects (with or without defects in other regions of LV myocardium) from our database. Patients in group 1 (n = 17) had reversible perfusion defects in the RV free wall by visual analysis, while patients in group 2 (n = 17) did not. The images were processed with filtered back projection and, separately, with iterative reconstruction. The images were then re-processed using an automated quantitative software that is specifically designed to include the RV in the region of interest. Results: There were 76% men in group 1 and 94% in group 2 (P <0.05). The mean age was 65±20 in group 1 vs. 63±18 years in group 2 (P < 0.05). The stress type was exercise in 30% in group 1 and 35% in group 2, with the remaining patients studied with pharmacological stress testing (P = NS). The presence of RV reversible perfusion defects using filtered back projection was more evident in 13 patients (75%), while it was better seen with iterative reconstruction in 4 patients (25%). By automated analysis, the RV reversible perfusion defect size was 19 ± 14% of RV myocardium. Conclusion: This proof-of-principle study demonstrates that reversible RV perfusion defects suggestive of ischemia can be detected by SPECT myocardial perfusion imaging in some patients with LV inferior ischemia by visual analysis and can be quantitated by automated programs. Further studies on the diagnostic and prognostic relevance of assessing RV ischemia on SPECT MPI are needed.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Organic synthesis on Mars by electrochemical reduction of CO 2

The sources and nature of organic carbon on Mars have been a subject of intense research. Steele et al. (2012) showed that 10 martian meteorites contain macromolecular carbon phases contained within pyroxene- and olivine-hosted melt inclusions. Here, we show that martian meteorites Tissint, Nakhla, and NWA 1950 have an inventory of organic carbon species associated with fluid-mineral reactions that are remarkably consistent with those detected by the Mars Science Laboratory (MSL) mission. We advance the hypothesis that interactions among spinel-group minerals, sulfides, and a brine enable the electrochemical reduction of aqueous CO 2 to organic molecules. Although documented here in martian samples, a similar process likely occurs wherever igneous rocks containing spinel-group minerals and/or sulfides encounter brines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ASME Non-metallic Component Degradation and Failure Task Group

ASME Non-metallic Component Degradation and Failure Task Group background, component failure and component functionality, the nature of graphite, damage tolerance, AGR design, damage tolerance, non-metallic component degradation and failure task group, task group progress, monitoring and examination, link between degradation processes and their impact on core components in the array of graphite components, the link between degradation processes and RIM options, and a way forward.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sculpting 2D Crystals via Membrane Contractions before and during Solidification

When phospholipids crystallize within the otherwise fluid membranes of giant unilamellar vesicles, the resulting molecularly thin “2D” solids exhibit great variety in their morphology evolution. For example, within membranes containing moderate amounts of the crystallizing component, crystals grow with a fixed morphology depending on vesicle size. Conversely for membranes containing large amounts of the crystallizing species, we find small compact crystals on vesicles of all sizes. However, on large vesicles, growing crystals sprout flower petals that lengthen progressively. These behaviors result from two combined mechanisms: first, like other 2D solids, the shear rigidity of phospholipid crystals renders them intolerant to morphologies with nonzero Gaussian curvature. As a result and especially at elevated membrane tension, the cost of bending elasticity is reduced at the expense of line energy by the formation of flowers as opposed to compact crystals. Second, the composition-dependent tension rise during cooling relaxes via water permeation of the membrane with a time constant scaling as R2. The amount of crystal formed for a small decrease in temperature determines this composition-dependent increase in stress from thermal contractions versus solidification. Surface Evolver computations were motivated using the predicted tension evolution to develop a processing space that maps to experimental observations for initial and growing crystal morphology. Important variable groups are identified, including a scaled ratio of bending to line energy, a vesicle-size-independent group for membrane contractions, and a time constant for stress relaxation. Though processing stresses ultimately relax, the crystal morphology persists well beyond the processing window.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ab initio investigation of the first hydration shell of protonated glycine

The first hydration shell of the protonated glycine is built up using Monte Carlo multiple minimum conformational search analysis with the MMFFs force field. The potential energy surfaces of the protonated glycine and its hydration complexes with up to eight water molecules have been scanned and the energy-minimized structures are predicted using the ab initio calculations. First, three favorable structures of protonated glycine were determined, and the micro-hydration processes showed that water can significantly stabilize the unstable conformers, and then their first hydration shells were established. Finally, we found that seven water molecules are required to fully hydrate the first hydration shell for the most stable conformer of protonated glycine. In order to analyse the hydration process, the dominant hydration sites located around the ammonium and carboxyl groups are studied carefully and systemically. The results indicate that, water molecules hydrate the protonated glycine in an alternative dynamic hydration process which is driven by the competition between different hydration sites. The first three water molecules are strongly attached by the ammonium group, while only the fourth water molecule is attached by the carboxyl group in the ultimate first hydration shell of the protonated glycine. In addition, the first hydration shell model has predicted most identical structures and a reasonable accord in hydration energy and vibrational frequencies of the most stable conformer with the conductor-like polarizable continuum model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

IC Capacitors on Groups III-to-V Substrates

Oxides applied by a "spin-on" process have been used to fabricate capacitors on gallium arsenide and indium phosphide substrates: they might also be used with other compounds of elements in groups III to V of the periodic table. The III-to-V materials are attractive for integrated circuits because they offer responses potentially six times faster than silicon.

Alcorn, G. E.↗

Quality Assurance of ISS LIS lightning Data

Optical lighting detection from space has been ongoing since 1995 from the Optical Transient detector (1995-2000), then later by the Lightning Imaging Sensors (LIS) on the Tropical Rainfall Measuring Mission (TRMM) satellite (1997-2015) and the International Space Station (ISS) (ISS 2017-present). A rapid readout (2 ms) 128x128 pixel CCD (Charge-coupled Device) array detects optical transients from lightning (events) and transmits the observations to ground. Ground processing determines whether individual events are likely due to lightning or noise. Likely lightning events are then grouped into groups, flashes, and areas and their location on the earth are determined. The lightning data are saved in orbit files; each file containing the time, location, and intensity of the lightning events, groups, flashes, and areas detected during one orbit. Even after this processing anomalies may exist in some of the orbits. A manual quality assurance (QA) procedure is performed monthly to assess the data and omit orbits with obvious anomalies from the dataset. These files are not included in the final dataset that has undergone QA. The manual QA was developed during the OTD mission to identify artifacts that made it through ground processing algorithms. The manual QA process was continued for the TRMM and ISS LIS missions. Many anomalies have been identified and software updates now address many of them. However, some anomalies still occur in the processed datasets. The manual QA process examines the data for obvious issues in the lightning files that passed through the processing algorithms. These files are considered anomalous and are not included in the final QA dataset. Some issues that may cause an orbit to be considered anomalous include: obvious noise (excess events that make it through the processing), suspect geolocation, and excessive missing data packets. As an example, one way noise manifests is as “streaks” in lightning climatology plots. These streaks are especially apparent in low lightning rate regions (eg., over oceans). Since there is no method at present to extract these anomalies during processing, orbit files with significant anomalies are identified and removed from the final QA ISS LIS dataset. The final QA dataset can be obtained files from the Global Hydrometeorological Resource Center (GHRC). This presentation will provide examples of the various anomalies and examine how often the various anomalies occur and how much data is lost due to the omission of the anomalous orbits. Comparisons with OTD and TRMM LIS will also be examined.

ISS↗

Functional description of signal processing in the Rogue GPS receiver

Over the past year, two Rogue GPS prototype receivers have been assembled and successfully subjected to a variety of laboratory and field tests. A functional description is presented of signal processing in the Rogue receiver, tracing the signal from RF input to the output values of group delay, phase, and data bits. The receiver can track up to eight satellites, without time multiplexing among satellites or channels, simultaneously measuring both group delay and phase for each of three channels (L1-C/A, L1-P, L2-P). The Rogue signal processing described requires generation of the code for all three channels. Receiver functional design, which emphasized accuracy, reliability, flexibility, and dynamic capability, is summarized. A detailed functional description of signal processing is presented, including C/A-channel and P-channel processing, carrier-aided averaging of group delays, checks for cycle slips, acquistion, and distinctive features.

Thomas, J. B.↗