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Genetic Algorithm-Wavelet Transform Feature Extraction for Data-Driven Acoustic Resonance Spectroscopy
Not Available
Proton Nuclear Magnetic Resonance (H NMR) of Glycolate in Real Waste: Developing and Testing Analytical Methods for the Savannah River Site Liquid Waste System
In preparation for implementing the NG acid flowsheet for the SRS LWS, analytical methods for determining glycolate at low concentration are desired to support system management and safety. Previous work documented that the IC method performed well for samples with low to moderate ionic strength. That work also included a scoping effort to determine if an alternate analytical strategy using H NMR would complement and extend the capabilities of the IC method. The H NMR scoping results indicated that the method had the potential to expand glycolate analysis in LWS samples to higher ionic strength tanks/solutions. The scope of this work is to develop innovative proton NMR techniques, including demonstrating ion exchange decontamination protocols needed for application of the technique to real waste samples. Part of radioactive waste processing at SRS uses formic acid to reduce oxidized (Hg 2+ ) to more volatile elemental Hg for steam striping, collecting, and disposal. Under acidic conditions found in the Chemical Processing Cell (CPC) at the Defense Waste Processing Facility (DWPF), formic acid has a much higher hydrogen generation rate than an alternative reductant, glycolic acid. Thus, an NG acid flowsheet has been developed utilizing glycolic acid with the benefit of easing the need for headspace monitoring requirements for hydrogen and ammonia at DWPF. Low concentrations of glycolate are conservatively assumed to be in the recycle stream, which will collect in the Recycle Collection Tank (RCT). The DWPF recycle stream collected in the RCT has a distinct pathway to the LWS waste tanks that feed the 2H and 3H Evaporator. This route involves transfer of the DWPF recycle to Tank 22 in the Concentration, Storage, and Transfer Facilities (CSTF) followed by transfer to the LWS tank farm/evaporators.
Evaluated Data for Fissile Actinides in the Resolved and Unresolved Resonance Region and their Coupling to Neutron Multiplicities [Slides]
Abstract not provided.
140,142 Ce Neutron Cross Section Resolved Resonance Region Evaluation [Slides]
ORNL has completed new RRR evaluations for 140,142 Ce. A lack of integral measurements made validation difficult, but the difference from Kadonis values suggests that more investigation of capture cross section is warranted. The complete file (with updated File2 and File32) has been submitted to NNDC repository for inclusion in next release of ENDF. A sponsor report publication is in progress.
Evaluated Data for Fissile Actinides in the Resolved and Unresolved Resonance Region and their Coupling to Neutron Multiplicities [Slides]
Abstract not provided.
Improved Modeling of Radiative Neutron Capture Yield for Resonance Parameter Evaluations [Poster]
Abstract not provided.
R&D with NREL'S Nuclear Magnetic Resonance (NMR) Facility
NREL's state-of-the-art NMR Facility provides scientists the ability to analyze both solid and liquid samples on four NMR spectrometers. NREL's NMR instruments provide distinct capabilities for analyzing a variety of samples from biomass to plastics to battery components. NREL scientists can monitor reactions - even in real time - to further their understanding of the fundamental chemical processes that may drive the development of next-generation sustainable fuels, materials, and products.
GNDS Resonances Taskforce Discussion
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Development of Miniature, Ultra-Low Loss Superconducting Resonator Arrays
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Understanding Microscopic Mechanisms of LeTID and LID and their Unifying Features by Electron Paramagnetic Resonance
LID degradation involves not only creation of ~ 10^12 cm^-3 recombination centers, but also ~ 10^16 cm^-3 shallow negative-U traps. In Ga-doped Si, LID EPR defects don't appear, but some traps are still created. LeTID: Si DB and H-hyperfine EPR signatures. We postulate that the defect responsible for LeTID is a partially hydrogenated (multivacancy) with a Si dangling bond and H in the vicinity. O involvement is possible yet unclear. We prove that H is related to the structure of the LeTID defect with isotope experiments and its EPR signal is comparable and linear with the Si DB signal upon LeTID degradation. Working on simulating these results with DFT to obtain more detailed defect structure.
A COMPACT, LOW POWER DEVICE USING MIE RESONANCE FOR MULTISPECTRAL POLARIZATION IMAGE DETECTION FINAL REPORT
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The Fe 4+ / 3+ Redox Mechanism in NaFeO 2 : A Simultaneous Operando Nuclear Resonance and X-ray Scattering Study
Simultaneous operando Nuclear Forward Scattering and transmission X-ray diffraction and 57 Fe Mössbauer spectroscopy measurements were carried out in order to investigate the electrochemical mechanism of NaFeO 2 vs. Na metal using a specifically designed in situ cell. The obtained data were analysed using an alternative and innovative data analysis approach based on chemometric tools such as Principal Component Analysis (PCA) and Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS). This approach, which allows the unbiased extraction of all possible information from the operando data, enabled the stepwise reconstruction of the independent “real” components permitting the description of the desodiation mechanism of NaFeO 2 . This wealth of information allows a clear description of the electrochemical reaction at the redox-active iron centres, and thus an improved comprehension of the cycling mechanisms of this material vs. sodium.
Nuclear Magnetic Resonance ‐based fragment screen of the E3 ligase Fem‐1 homolog B
Abstract Targeted protein degradation using PROTACs (PROteolysis TArgeting Chimeras) has emerged as a transformative therapeutic strategy, largely relying on a small number of E3 ubiquitin ligases such as CRBN and VHL. However, resistance, toxicity, and poor oral bioavailability limit the utility of PROTACs and highlight the need to expand the E3 ligase toolbox. Fem‐1 homolog B (FEM1B) is a lesser‐known E3 ligase that offers a promising alternative due to its broad expression and ability to recognize diverse degron motifs. Here, we describe the development of a stable construct of FEM1B, the results of a protein‐observed NMR‐based fragment screen using this construct, and the X‐ray structures of some of the fragment hits when bound to the protein. From these results, new PROTACs utilizing FEM1B as the E3 ligase may be discovered, providing an alternative E3 ligase for targeted protein degradation.
Holographic Nano‐Imaging of Terahertz Dirac Plasmon Polaritons in Topological Insulator Antenna Resonators
Abstract Excitation of Dirac plasmon polaritons (DPPs) in bi‐dimensional materials have attracted considerable interest in recent years, both from perspectives of understanding their physics and exploring their transformative potential for nanophotonic devices, including ultra‐sensitive plasmonic sensors, ultrafast saturable absorbers, modulators, and switches. Topological insulators (TIs) represent an ideal technological platform in this respect because they can support plasmon polaritons formed by Dirac carriers in the topological surface states. Tracing propagation of DPPs is a very challenging task, particularly at terahertz (THz) frequencies, where the DPP wavelength becomes over one order of magnitude shorter than the free space photon wavelength. Furthermore, severe attenuation hinders the comprehensive analysis of their characteristics. Here, the properties of DPPs in real TI‐based devices are revealed. Bi 2 Se 3 rectangular antennas can efficiently confine the propagation of DPPs to a single dimension and, as a result, enhance the DPPs visibility despite the strong intrinsic attenuation. The plasmon dispersion and loss properties from plasmon profiles are experimentally determined, along the antennas, obtained using holographic near‐field nano‐imaging in a wide range of THz frequencies, from 2.05 to 4.3 THz. The detailed investigation of the unveiled DPP properties can guide the design of novel topological quantum devices exploiting their directional propagation.
Experimental Modal Analysis of a Resonant Plate During a Mid-Field Pyroshock Replication Test.
Abstract not provided.