Effects of pH and Ca exchange on the structure and redox state of synthetic Na-birnessite
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Elmi, Chiara↗
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Results for “Fourier Transform”
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A multi-method characterization of natural terrestrial birnessites
Abstract not provided
Ling, Florence T.↗
Phase transitions in ε-FeOOH at high pressure and ambient temperature
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99 GENERAL AND MISCELLANEOUS↗
X-ray diffraction reveals two structural transitions in szomolnokite
Hydrated sulfates have been identified and studied in a wide variety of environments on Earth, Mars, and the icy satellites of the solar system. The subsurface presence of hydrous sulfur-bearing phases to any extent necessitates a better understanding of their thermodynamic and elastic properties at pressure. End-member experimental and computational data are lacking and are needed to accurately model hydrous, sulfur-bearing planetary interiors. In this work, high-pressure X-ray diffraction (XRD) and synchrotron Fourier-transform infrared (FTIR) measurements were conducted on szomolnokite (FeSO 4 ·H 2 O) up to ~83 and 24 GPa, respectively. This study finds a monoclinic-triclinic (C2/c to P1¯) structural phase transition occurring in szomolnokite between 5.0(1) and 6.6(1) GPa and a previously unknown triclinic-monoclinic (P1¯ to P2 1 ) structural transition occurring between 12.7(3) and 16.8(3) GPa. The high-pressure transition was identified by the appearance of distinct reflections in the XRD patterns that cannot be attributed to a second phase related to the dissociation of the P1¯ phase, and it is further characterized by increased H 2 O bonding within the structure. We fit third-order Birch-Murnaghan equations of state for each of the three phases identified in our data and refit published data to compare the elastic parameters of szomolnokite, kieserite (MgSO 4 ·H 2 O), and blödite (Na 2 Mg(SO 4 ) 2 ·4H 2 O). At ambient pressure, szomolnokite is less compressible than blödite and more than kieserite, but by 7 GPa both szomolnokite and kieserite have approximately the same bulk modulus, while blödite’s remains lower than both phases up to 20 GPa. Furthermore, these results indicate the stability of szomolnokite’s high-pressure monoclinic phase and the retention of water within the structure up to pressures found in planetary deep interiors.
58 GEOSCIENCES↗
Contrast Matching Biopolymers: A SANS-Based Approach to Structural Characterization of Chitosan
Immobilizing enzymes in polysaccharide-based matrices has been shown to improve both their stability and their catalytic efficiency. Among available materials, chitosan was selected for its abundance, biocompatibility, and versatility in a range of applications. While the broader aim of this work is to study chitosan as a matrix for immobilizing carbonic anhydrase (CA) for CO₂ capture, this study focused on determining the contrast match point (CMP) of hydrogenated and deuterated chitosan in D₂O:H₂O mixtures to enable future structural investigations using small-angle neutron scattering (SANS). Previous work successfully synthesized deuterated chitosan from Rhizopus oryzae mycelia and assessed the degree of deuteration using Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR). Building on this foundation, the current study determined the CMPs of both H-chitosan and D-chitosan by performing SANS measurements across a range of D₂O:H₂O solvent contrasts. The extracted CMPs for both forms correlated well with their respective calculated scattering length densities (SLDs), validating the experimental approach. These results establish a critical reference for selective contrast matching in future SANS studies of carbonic anhydrase immobilized in chitosan matrices, enabling detailed structural analysis of enzyme–matrix interactions.
Kosgallana, Chathurika J [ORNL] (ORCID:00000002851↗
Beurling-Selberg extremization and modular bootstrap at high energies
We consider previously derived upper and lower bounds on the number of operators in a window of scaling dimensions [\Delta - \delta,\Delta + \delta] [ Δ − δ , Δ + δ ] at asymptotically large \Delta Δ in 2d unitary modular invariant CFTs. These bounds depend on a choice of functions that majorize and minorize the characteristic function of the interval [\Delta - \delta,\Delta + \delta] [ Δ − δ , Δ + δ ] and have Fourier transforms of finite support. The optimization of the bounds over this choice turns out to be exactly the Beurling-Selberg extremization problem, widely known in analytic number theory. We review solutions of this problem and present the corresponding bounds on the number of operators for any \delta \geq 0 δ ≥ 0 . When 2\delta \in \mathbb Z_{\geq 0} 2 δ ∈ ℤ ≥ 0 the bounds are saturated by known partition functions with integer-spaced spectra. Similar results apply to operators of fixed spin and Virasoro primaries in c>1 c > 1 theories.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Using coherent dipion photoproduction to image gold nuclei
Vector meson photoproduction offers the opportunity to image target nuclei. The two-dimensional Fourier transform d\sigma_{coherent}/dt d σ c o h e r e n t / d t of coherent vector meson photoproduction gives the two-dimensional distribution of interaction sites in the target. Since vector meson photoproduction occurs, at lowest order, via two-gluon exchange, this is sensitive to gluon shadowing. We present an analysis of \pi^+\pi^- π + π − photoproduction using data from the STAR detector and a study of d\sigma_{coherent}/dt d σ c o h e r e n t / d t , with an emphasis on probing the nuclear shape and its systematic uncertainties.
Klein, Spencer↗
Solvent Hold Tank Sample Results for MCU-19-366- 367-368 (April 2019), MCU-19-469-470-471 (May 2019), MCU-19-524-525-526 (June 2019): Quarterly Report
A trend summary of three sets of Solvent Hold Tank (SHT) monthly samples MCU-19-366-367-368 (April), MCU-19-469-470-471 (May), and MCU-19-524-525-526 (June) are reported. Most of the conclusions are based on the June SHT sample (MCU-19-524-525-526). Analyses of the June SHT sample (MCU-19-524- 525-526) indicated that the Modifier (Cs-7SB) and the Extractant (MaxCalix) concentrations were below their nominal recommended concentrations (169,000 mg/L and 46,900 mg/L respectively) by 4% and 2% respectively but consistent with previously observed levels during normal runs. The Suppressor (N,N’,N”– tris(3,7-dimethyloctyl)guanidine or TiDG) concentration has decreased since the March 2019 measurement to 793 mg/L, which is above the minimum recommended concentration (479 mg/L). The Semi-Volatile Organic Analysis (SVOA) did not detect any impurities. However, the Fourier Transform Hydrogen Nuclear Magnetic Resonance (FT-HNMR) analysis detected presence of phthalates at a few ppm. The impurity concentration was highest in the April sample and consistently detected in the May and June samples (but always registered as a few ppm or less). Another impurity observed in the samples was mercury. Based on the June SHT sample, up to 25 ± 5 micrograms of mercury per mL of solvent was detected (as the average of the Direct Mercury Analysis (DMA) and X-Ray Fluorescence (XRF) methods). The higher mercury concentration in the solvent (as determined in the last three-monthly samples) is possibly due to the higher mercury concentration in Salt Batches 9 and 10. The gamma concentration (~2.90E4 dpm/mL) measured in the June 2019 SHT samples was consistent with previous values observed when the Modular Caustic-Side Solvent Extraction Unit (MCU) was operating continuously (for example, between December 2016 and January 2017). Statistical analysis of the different analytical methods detected a bias between the FT-HNMR and the High Performance Liquid Chromatography (HPLC) methods when measuring the MaxCalix and Modifier concentrations; the FT-HNMR gave a higher concentration possibly due to peak overlapping in the measured data. A bias was detected when measuring total mercury by the DMA method versus the XRF method with the XRF method reported higher mercury concentrations. The laboratory will continue to monitor the quality of the solvent for any new impurities or degradation of the solvent components.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Generation of waves in magnetized plasma [PowerPoint]
The presentation goes through assumptions made for the study, sections on plasma dispersion, whistler modes for RBR, excitation of plane waves with antenna, dipole vs loop antenna, verification of results, excitation of whistler waves with electron beams, assumptions for the model, distribution of current in space in general case, Fourier transform of current distribution, resonant excitation of waves, and ending with a discussion of generic debunching.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Analysis of FFT Run-Times on LANL Computers
This paper gives results of a timing study for computing fast Fourier transforms (FFTs) on LANL based computing platforms. The platforms considered will be a node on Snow and a standard LANL HP laptop. The run-time for 1D FFTs will be measured for different sizes of data and the results are reported in FFTs/s.
97 MATHEMATICS AND COMPUTING↗
Proper use of HHDRIFT in surveillance and production conditions
With higher quality optics, newer benchtop DRIFT (diffuse reflectance infrared Fourier transform) spectroscopy systems with modern electronic circuitries should be the preferred choice if detection sensitivity, intensity, and reliability are top priorities. However, when space consideration or other restrictions require the use of a HHDRIFT (handheld DRIFT), it is possible to convert the measurements of the HHDRIFT to those obtained from any benchtop DRIFT and vice versa. In this report, the conversion of the measurements between a HHDRIFT and a benchtop DRIFT at LLNL (Lawrence Livermore National Laboratory) are shown to be linear in both production and surveillance conditions. A similar methodology can be used to obtain the measurement correlations between any HHDRIFT and any benchtop DRIFT at other sites.
36 MATERIALS SCIENCE↗
Generation of Bright Soft X-ray Laser Beams (Final Report)
The project goal was to demonstrate new compact soft x-ray lasers emitting high energy ultrashort pulses at shorter wavelengths and increased repetition rates by amplification in atomic transitions in high density laser-created plasmas. To demonstrate these lasers we developed new high power solid state lasers. The project succeeded in demonstrating the shortest wavelength compact soft x-ray laser to date, 6.85 nm wavelength, and the highest repetition rate table-top soft x-ray laser, 400 Hz. We also applied these compact soft x-ray laser sources to determine the composition of materials with nanoscale resolution using a new technique that combines soft x-ray laser ablation with mass spectrometry, and we demonstrated that these lasers are capable of acquiring nanoscale resolution holograms with picosecond time resolution. The combination of an increased pumping efficiency with increased repetition rates can yield soft x-ray laser beams with an unprecedented average power on a table-top for applications demanding a high photon flux. We have demonstrated that the efficiency of plasma-based laser-pumped soft x-ray lasers can be significantly increased by detailed pulse shaping of the pump laser using a new pulse synthesizer. Results include the demonstration of 18.9 nm wavelength laser operation at a record 400 Hz repetition rate, and the extension of repetitive gain-saturated plasma-based table-top x-ray lasers to the shortest wavelength to date, 6.85 nm. Laser amplification was also observed at wavelengths as short at 5.8 nm by isolectronic scaling in Ni-like lanthanide ions. We have also conducted simulations to explore the possibility of demonstrating gain saturated atomic x-ray lasers near the carbon K-edge, in the “carbon window” for the first time. The work conducted under this program also includes the use of compact soft x-ray lasers in applications to problems of chemical interest, such as isotopic composition mapping of micron-size uranium particles with nanoscale resolution, and nanoscale resolution depth profiling analysis of CoNCN-coated electrodes for water oxidation catalysis. We also demonstrated single-shot high resolution soft x-ray Fourier transform holography over a broad 7 µm diameter field of view with ~ 5 ps temporal resolution.
74 ATOMIC AND MOLECULAR PHYSICS↗
Tandem Gas Analysis
Build and assemble a workstation to run the Gas Chromatography/Mass Spectrometry (GC/MS) in tandem with the Fourier Transform Infrared Spectroscopy (FTIR), to verify the identity of the gas sample, and to eliminate possible contamination.
36 MATERIALS SCIENCE↗
Trans-ionospheric signal polarization
An electromagnetic (EM) wave originating at or near the earth’s surface can propagate upwards, traverse the ionosphere, and then be detected at a satellite. While the signal’s magnitude will affect its detectabilty, its polarization will play an important role as well. Furthermore the signal polarization can reveal properties about its source, and the ionospheric conditions through which it traveled. Thus, it is desirable to predict the polarization characteristics of trans-ionospheric EM signals. This situation is complicated by the birefringence imposed on an EM wave propagating in the magnetized plasma of the ionosphere. Each frequency component of the signal can excite two waves that propagate at different phase velocities due to their separate refractive characteristics.For this work, the amplitude and phase of each EM wave field spatial component is followed as it crosses the lower ionospheric boundary, traverses the ionosphere and then crosses the upper boundary. Results are for a single frequency, and can be easily extended to broadband waveforms using fourier transform techniques.
79 ASTRONOMY AND ASTROPHYSICS↗
Antifoam Development for Eliminating Flammability Hazards and Decreasing Cycle Time in the Defense Waste Processing Facility
Foam, due to the high gas generation rates of boiling and chemical reaction offgasing, requires control measures to prevent the foam from contaminating the condensate and to facilitate efficient plant operation. Antifoam was utilized to minimize foam production during chemical processing in the DWPF and during High-Level Waste (HLW) evaporation at SRS and Hanford. However, the current antifoam used in the SRS DWPF increases flammability risk during chemical processing (generates three flammable degradation products) and while feeding the melter (can decompose to CO/hydrogen). It is also the likely source of methyl functional groups for the organo-mercury present in the tank farm and excessive mercury in Saltstone. Additionally, the planned startup of Salt Waste Processing Facility (SWPF), with much higher throughput, will challenge DWPF to process at higher gas generation rates. DWPF employs Antifoam 747, a superspreader produced by Momentive Performance Materials, as an antifoaming agent during waste processing. During DWPF chemical processing, antifoam must be effective up to boiling (i.e., up to 103°C) and between a pH of 3-13. Antifoam 747 is most effective at a pH range of 6-8 and degrades as pH deviates. In addition, SRNL identified three flammable antifoam degradation products using mass spectrometer (MS) and fourier transform infrared (FTIR) offgas analyzers during simulations. A new antifoam or a new method to control foam is needed to minimize DWPF processing time and reduce the risk of contamination. In addition, testing should be completed to ensure that other antifoams used in HLW processing do not have similar flammability hazards or cause unintended impacts in downstream processing.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Auto-Curation of Seismic Event Data for Signal Denoising
Denoising contaminated seismic signals for later processing is a fundamental problem in seismic signals analysis. Neural network approaches have shown success denoising local signals when trained on short-time Fourier transform spectrograms. One challenge of this approach is the onerous process of hand-labeling event signals for training. By leveraging the SCALODEEP seismic event detector, we develop an automated set of techniques for labeling event data. Despite region specific challenges, training the neural network denoiser on machine curated events shows comparable performance to the neural network trained on hand curated events. We showcase our technique with two experiments, one using Utah regional data and one using regional data from the Korean peninsula.
58 GEOSCIENCES↗
Evaluating Scalograms for Seismic Event Denoising
Denoising contaminated seismic signals for later processing is a fundamental problem in seismic signals analysis. The most straightforward denoising approach, using spectral filtering, is not effective when noise and seismic signal occupy the same frequency range. Neural network approaches have shown success denoising local signal when trained on short-time Fourier transform spectrograms (Zhu et al 2018; Tibi et al 2021). Scalograms, a wavelet-based transform, achieved ~15% better reconstruction as measured by dynamic time warping on a seismic waveform test set than spectrograms, suggesting their use as an alternative for denoising. We train a deep neural network on a scalogram dataset derived from waveforms recorded by the University of Utah Seismograph Stations network. We find that initial results are no better than a spectrogram approach, with additional overhead imposed by the significantly larger size of scalograms. A robust exploration of neural network hyperparameters and network architecture was not performed, which could be done in follow on work.
58 GEOSCIENCES↗
Open Source Fault-tolerant Grid Frequency Measurement for Solar Inverters
The Discrete Fourier transform (DFT) based measurement algorithms are one of the most common measurement algorithms for grid parameter estimation such as rms, phase angle, frequency. Over the past few years, many DFT based algorithms have been developed to enhance its measurement accuracy under steady-state and/or dynamic grid conditions. For example, an adaptive band-pass filter utilizing exponential modulation filter has been proposed to reduce measurement errors at the presence of large frequency deviations. Measurement accuracy of different algorithms including FIR filter, extended Kalman filtering (EKF), and enhanced DFT method have been compared in detail under different grid conditions. Two artificial signals that have 90-degree phase difference were constructed by the Clarke transformation to address the frequency spectrum leakage of DFT. A multi-module approach was developed to enhance both steady-state and dynamic measurement accuracies, in which each module was developed to eliminate some specific errors. Besides DFT-based measurement algorithms, some signal model-based algorithms have been developed to further improve the accuracy under dynamic conditions. However, a key drawback of the state-of-the-art algorithms is that they cannot perform measurements accurately during system transient faults. In the Blue Cut Fire event, there was a phase angle jump of about 26 degrees in the voltage waveform during the transient fault. The phase angle jump fault will cause waveform discontinuity, and these algorithms will fail to provide reliable measurements during this period because they typically assume the waveform to be measured is continuous, no matter what method (DFT, PLL, EKF, FIR, or Taylor WLS) is used for estimation. In fact, the measurement errors during the system transient faults like phase-jump is not required in the IEEE Standard. As a result, although a measurement instrument can pass the strict IEEE Standard, it could still be the source of the problem in the future if we have similar system transient faults, which could happen again. Therefore, developing the fault-tolerant measurement technology is the key to solve the problem.
14 SOLAR ENERGY↗