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At least 55 records · Page 3

Improved Accuracy in Semi-Experimental Structure Determination by Resolving Problems Associated with Rotation of Principal Inertial Axes of Isotopologues: Structures of 1,3-Oxazole ( c -C 3 H 3 NO)

The rotational spectrum of the normal isotopologue of 1,3-oxazole (c-C 3 H 3 NO) was observed from 43 to 750 GHz. Over 3900 transitions for the ground vibrational state are measured, assigned, and least-squares fit to sextic centrifugally distorted-rotor Hamiltonians. The measured frequencies and resulting spectroscopic constants from this extended spectral range, combined with previous measurements of the nuclear quadrupole coupling constants, will facilitate astronomical searches for oxazole across the majority of the range of modern radiotelescopes. Spectra for a set of 30 oxazole isotopologues, which include multiple isotopic substitutions of each atom, are used to determine the first semi-experimental equilibrium ($r$$^{SE}_{e}$) structure and semi-experimental substitution structure ($r$$^{SE}_{e}$), each using CCSD(T) computed values for the vibration–rotation interaction and electron-mass corrections. The large number of isotopologues, including 21 isotopologues observed for the first time, and the redundant substitutions of each atom provide sufficient spectroscopic information to determine the $r$$^{SE}_{e}$ structure with the expected high level of accuracy and precision (0.0001 or 0.0002 Å in bond distances and 0.013 to 0.025° in bond angles). In the course of this study, we analyzed a known issue for some $r$$^{SE}_{e}$ structure determinations of near-oblate asymmetric tops in which inclusion of individual isotopologues degrades the structure determination. We demonstrate that this problem primarily arises from the difference in the values of the computed vibration–rotation interaction corrections as evaluated at the computed re geometry vs the $r$$^{SE}_{e}$ geometry of the “real” molecule. Our solution to this problem substantially improves the $r$$^{SE}_{e}$ structure of oxazole and likely can be generalized to many other molecules.

Chemical structure↗

Integration of the Biot–Gassmann Fluid Substitution Method and Machine Learning-Based Velocity–Stress Relationship for Estimating In Situ Stresses

Recent advancements have shown that in situ stresses can be reliably estimated through an integrated machine/deep learning (ML/DL)-based framework, which relies on models trained and validated using true triaxial ultrasonic velocity (TUV) experimental data that involve measurements of ultrasonic velocity in saturated rocks under varying stress configurations. However, when the goal is to interpret lower frequency measurements, it may be more appropriate to run experiments on dry rocks and then obtain Biot–Gassmann-derived equivalent saturated velocities (low-frequency approximation) and employ these quantities for training ML/DL models to predict in situ stress. Whether the dispersion effect of frequency on the velocity–stress relationship substantially impacts in situ stress prediction is an important and unresolved question. This work presents an enhancement of ML/DL-based workflow by training and implementing ML/DL models using equivalent saturated acoustic velocities (low-frequency) obtained by applying Biot–Gassmann fluid substitution on the ultrasonic velocities of dry cores. The models were trained on TUV data sets derived from three subsurface cores extracted from the geothermal well 16B(78)-32 at the Utah FORGE site. Each core was subjected to 75 unique stress configurations for velocity measurement in the dry state. The ML/DL trained on the TUV data set with equivalent saturated velocities demonstrated promising performance to predict in situ stress in subsurface geological rocks using velocity–stress relationships with R 2 of 0.86, 0.971, and 0.975 and root mean squared error (RMSE) of 2.59, 1.92, and 1.80 for validation/testing phases of vertical, minimum horizontal, and maximum horizontal stress models, respectively. Additionally, interpretation and explanation by Shapley additive explanations (SHAP) analysis further improved scientific validation and model reliability for estimating in situ stresses.

colloids↗

High frequency impedance characteristics of a tunable microplasma device

Computational studies on high frequency impedance characteristics of a microplasma device are reported. While microplasma is ignited using a primary excitation signal, frequency response of plasma impedance is determined by a secondary high frequency probe signal with significantly lower voltage amplitude such that it does not influence the plasma parameters. Here, the computational model utilizing the drift–diffusion approximation is first validated by comparing with experimental data for microplasmas ignited at pressures ranging from 1 to 5 Torr. In spite of quantitative discrepancies, good overall agreement is obtained between the measured frequency response of impedance of the discharge. Comparisons are also presented for various plasma parameters including mean electron number density, sheath thickness, mean electron temperature, and collision frequency that were inferred from the impedance measurements. The computational model is then used to perform simulations of near-atmospheric pressure microplasmas with the probe signal frequency ranging from 3 to 20 GHz. The simulations demonstrate the presence of a resonance frequency at which the impedance vanishes. More importantly, it is shown that this resonant frequency can be tuned effectively by suitably modifying the operating parameters (gap size, pressure, and excitation voltage). The simulated impedance characteristics are used to determine the effective plasma inductance and capacitance using a non-linear fitting approach, thereby showing the dependence of these electrical parameters on the plasma operating conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Signal-preserving CMB component separation with machine learning

Analysis of microwave sky signals, such as the cosmic microwave background, often requires component separation using multifrequency methods, whereby different signals are isolated according to their different frequency behaviors. Many so-called blind methods, such as the internal linear combination (ILC), make minimal assumptions about the spatial distribution of the signal or contaminants, and only assume knowledge of the frequency dependence of the signal. The ILC produces a minimum-variance linear combination of the measured frequency maps. In the case of Gaussian, statistically isotropic fields, this is the optimal linear combination, as the variance is the only statistic of interest. However, in many cases the signal we wish to isolate, or the foregrounds we wish to remove, are non-Gaussian and/or statistically anisotropic (in particular for the case of Galactic foregrounds). In such cases, it is possible that machine learning (ML) techniques can be used to exploit the non-Gaussian features of the foregrounds and thereby improve component separation. However, many ML techniques require the use of complex, difficult-to-interpret operations on the data. We propose a hybrid method whereby we train an ML model using only combinations of the data that , and combine the resulting ML-predicted foreground estimate with the ILC solution to reduce the error from the ILC. We demonstrate our methods on simulations of extragalactic temperature and Galactic polarization foregrounds and show that our ML model can exploit non-Gaussian features, such as point sources and spatially varying spectral indices, to produce lower-variance maps than ILC—e.g., reducing the variance of the B-mode residual by factors of up to 5—while preserving the signal of interest in an unbiased manner. Moreover, we often find improved performance even when applying our ML technique to foreground models on which it was not trained. Published by the American Physical Society 2025

McCarthy, Fiona (ORCID:0000000253893565)↗

Rapid Monitoring and Defense Approach for Resilience Improvement of Grid Cyber Security

Cyber-physical systems and electric utilities significantly depend on the reliability and efficiency of information and operational technology. However, false data injection attacks based on synchrophasor measurement data pose a serious threat to the safe and reliable operation of modern power systems. Here, to mitigate this problem, a rapid monitoring and defense approach is proposed to defend against cyber attacks. Initially, the Time and Frequency based Convolutional neural Network (TFCN) is proposed to detect different types of attacks. Within the TFCN, the advances are that both time and frequency domain information can be fused without extra spectrum analysis methods, and can save detection time to speed the calculation efficiency using the developed time-frequency block. Next, a comprehensive defense strategy is developed for multiple cyber attacks to ensure the stability and resilience of the power system according to the feedback detection results. The advances of this strategy are that different control strategies can be automatically selected to recover the stability to the greatest extent according to the detected attacks. To verify the effectiveness of the proposed approach, the high-speed frequency measurements collected from the wide-area monitoring system are used. The results demonstrate that the cyber attack detection performance can reach 95.57% accuracy, outperforming both traditional and some advanced neural networks. Importantly, the defense strategy is conducted and verified in a modified IEEE 39 bus system as well, which illustrates profound performance in faster stability restoration.

Comprehensive defense strategy↗

Bulk modulus measurement at mHz frequencies and high-pressure using synchrotron x-ray radiation

We report an experimental protocol for measuring the frequency dependence of the bulk modulus carried out in a synchrotron x-ray facility based multi-anvil high-pressure apparatus. An oscillating pressure perturbation characterized by x-ray diffraction produces a volume strain measured by imaging. Together, these yield the bulk modulus of the sample. In this work, we report data at 3 mHz as an example of the possibility of providing these data for the frequency range of 1 mHz–100 mHz.

47 OTHER INSTRUMENTATION↗

High-precision millimeter-wave frequency determination through plasmonic photomixing

We present a technique for high-precision millimeter-wave frequency determination through plasmonic photomixing. Our technique utilizes a plasmonic photomixer pumped by an optical frequency comb with a high-stability millimeter-wave beat frequency. The plasmonic photomixer down-converts the millimeter-wave signal to the radio frequency regime at which high-accuracy frequency counters are available. The precision of this technique is determined by the frequency stability of the optical beat frequency, which can be directly characterized in the presented experimental setup. We demonstrate frequency measurement precision as low as 3.9×10 −10 at 95 GHz through plasmonic photomixing without phase-locking the optical frequency comb.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ARM Data-Oriented Metrics and Diagnostics Package for Climate Model Evaluation

A Python-based metrics and diagnostics package is currently being developed by the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Infrastructure Team at Lawrence Livermore National Laboratory (LLNL) to facilitate the use of long-term, high-frequency measurements from the ARM Facility in evaluating the regional climate simulation of clouds, radiation, and precipitation. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The Coupled Model Intercomparison Project (CMIP) model data sets are also included in the package to enable model intercomparison as demonstrated in Zhang et al. (2017). The mean of the CMIP model can serve as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, and radiative fluxes, with plan to extend to more fields, such as aerosol and microphysics properties. Process-oriented diagnostics focusing on individual cloud- and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. The version 1.0 package is designed based on data collected at ARM’s Southern Great Plains (SGP) Research Facility, with the plan to extend to other ARM sites. The metrics and diagnostics package is currently built upon standard Python libraries and additional Python packages developed by DOE (such as CDMS and CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first present the input data, which constitutes the core content of the metrics and diagnostics package in section 2, and a user's guide documenting the workflow/structure of the version 1.0 codes, and including step-by-step instruction for running the package in section 3.

54 ENVIRONMENTAL SCIENCES↗

ARM Data-Oriented Metrics and Diagnostics Package for Climate Model Evaluation

A Python-based metrics and diagnostics package is currently being developed by the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility Infrastructure Team at Lawrence Livermore National Laboratory to facilitate the use of long-term, high-frequency measurements from ARM in evaluating the regional climate simulation of clouds, radiation, and precipitation. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data.

54 ENVIRONMENTAL SCIENCES↗

Power grid frequency prediction using spatiotemporal modeling

Understanding power system dynamics is essential for interarea oscillation analysis and the detection of grid instabilities. The FNET/GridEye is a GPS-synchronized wide-area frequency measurement network that provides an accurate picture of the normal real-time operational condition of the power system-dynamics, giving rise to new and intricate spatiotemporal patterns of power loads. We propose to model FNET/GridEye grid frequency data from the U.S. Eastern Interconnection with a spatiotemporal statistical model. We predict the frequency data at locations without observations, a critical need during disruption events where measurement data are inaccessible. Spatial information is accounted for either as neighboring measurements in the form of covariates or with a spatiotemporal correlation model captured by a latent Gaussian field. Finally, the proposed method is useful in estimating power system dynamic response from limited phasor measurements and holds promise for predicting instability that may lead to undesirable effects such as cascading outages.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Adaptive Online Multivariate Signal Extraction With Locally Weighted Robust Polynomial Regression

High-frequency, multivariate data collected in real-time and used to control or make decisions regarding a process’ operation often contain some noise and outliers. Thus, a method to extract the signal is needed in order to reduce the number and magnitude of control-based adjustments that are implemented. Such a method must be (i) online, depending only on past and current observations; (ii) fast, producing a smooth value more quickly than the measurement frequency; (iii) robust, ignoring brief bursts of erroneously measured values; (iv) multivariate, ignoring observations that are jointly unusual; (v) adaptive, adjusting to periods of rapid fluctuation in the signal versus periods of stability; and (vi) purely data-driven, not incorporating any information about the process from which the data are collected. Most existing methods are only able to address a subset of these six features. Furthermore, we also require the method to be nonlinear, providing a local nonlinear estimate of the signal. In this work, we propose a novel, real-time signal extraction method based on a local, robust polynomial fit. We demonstrate the performance of our method compared to a state-of-the-art competitor through simulation. For illustration, the methodology is applied to data collected from a reverse osmosis water treatment process.

97 MATHEMATICS AND COMPUTING↗

A parametric study of slow dynamic nonlinear elasticity with comparisons to models

Several phenomenological models that aspire to quantitative description of anomalous nonlinear mesoscopic elasticity are reviewed and compared with laboratory measurements. This class of nonlinearity, best known perhaps for slow dynamics and aging, is seen widely in imperfectly consolidated granular solids but is not well understood. Typical slow dynamic tests show that a modest conditioning oscillatory "pump" strain depresses material stiffness, which then recovers like the logarithm of time after conditioning ceases. Several phenomenological models based on physical arguments have been proposed that predict the material stiffness response to arbitrary pump strain histories during conditioning and recovery. Approximate closed form and numerical solutions to the models are presented that predict the quantitative influence of three key pump parameters: the pump's strain amplitude, the pump's strain rate, and the pump’s duration. Laboratory measurements on Berea sandstone, concrete and a confined single aluminum bead find that slow dynamic responses are linear in pump strain and independent of pump frequency. Measurements also show that, after pump-off, stiffness recovers over times far longer than the pump duration. These observations and others are compared to model predictions. One of the considered models, based on a picture of fast brittle damage and slow healing, successfully matches all these behaviors.

36 MATERIALS SCIENCE↗

High resolution variability in wet deposition in the southeastern United States

Rainwater chemistry is determined by atmospheric pollutants and particles which vary spatially and temporally. Industrial and agricultural activities and meteorological events (e.g. sea breezes, severe weather, blowing dust) alter atmospheric particle and trace gas compositions. These gases and particles are scavenged by cloud and rain droplets that drive wet deposition. During an Intensive Operation Period (IOP) from April to October 2021, rainwater was collected at higher frequency intervals, usually daily, after precipitation events at three locations on the Savannah River Site (SRS). The farthest locations were separated by approximately 20 km. The mean concentration (μeq/L) of seven ions followed the Cl⁻ > SO 4 2− > Na⁺ > NO 3 ⁻ > K⁺ > Mg 2+ > Ca 2+ downward trend. Ion concentrations were compared to background ion concentrations from the National Atmospheric Deposition Program (NADP). The high frequency monthly averaged SRS data compared well with the monthly averaged NADP background but demonstrated extensive variability. In some months in 2021, the high frequency data compared better to the NADP site near the coast while in other months inland sites compared better. Strong spatial variability for ion concentrations was observed across SRS which was attributed to localized impacts in rainfall spatial variability. High frequency measurements allowed for comparison to regional weather patterns indicating influences from the Atlantic Ocean, Gulf of Mexico, and cities. This can account for spatial variability in the wet deposition flux. Sea breezes, Saharan dust, and anthropogenic sources were shown to impact wet deposition flux variability. Higher frequency precipitation chemistry sampling at numerous locations better captures ion concentration variability and improves measurement representativeness.

54 ENVIRONMENTAL SCIENCES↗

Multi-View Convolutional Neural Network for Data Spoofing Cyber-Attack Detection in Distribution Synchrophasors

Security of Distribution Synchrophasors Data (DSD) is of paramount importance as the data is used for critical smart grid applications including situational awareness, advanced protection, and dynamic control. Unfortunately, the DSD are attractive targets for malicious attackers aiming to damage grid. Data spoofing is a new class of deceiving attack, where the DSD of one Phasor Measurement Units (PMUs) is tampered by other PMUs thereby spoiling measurement based applications. In order to address this issue, a source authentication based data spoofing attack detection method is proposed using Multi-view Convolutional Neural Network (MCNN). First, common components embedded in raw frequency measurements from DSD are removed by Savitzky-Golay (SG) filter. Second, fast S transform (FST) is utilized to extract representative spatial fingerprints via time frequency analysis. Third, the spatial fingerprint is fed to MCNN, which combines dilated and standard convolutions for automatic feather extraction and source identification. Finally, according to the output of MCNN, spoofing attack detection is performed via threshold criterion. Extensive experiments with actual DSD from multiple locations in FNET/Grideye are conducted to verify the effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING↗

Development, Testing, and Validation of Fabry-Pérot Cavity Acoustic Sensors for Microreactor Applications

Nuclear microreactors are a unique reactor design which may allow for the nuclear energy industry to tap into unconventional markets, and their modularity presents some advantages over larger, conventional reactor designs. For nuclear microreactors to be economically viable, on-line structural health monitoring may be necessary to reduce operation and maintenance costs with lower power production. Optical fiber sensors, and specifically optical Fabry-Pérot cavities (FPCs), may present the opportunity to monitor vibrational frequencies of microreactor components during operation, enabling identification of the location and severity of potential damage. In this work, FPCs were designed and fabricated with materials which may be able to survive in the extremely harsh environment of nuclear microreactors. The FPCs were bonded to metal test specimens to monitor their vibrational frequencies, along with a reference piezoelectric accelerometer. Euler-Bernoulli theory was used to calculate the fundamental modes and mode-shapes to compare with experimentally measured frequency spectra. The peak frequencies detected with the FPC and piezoelectric accelerometer, and theoretical modes, all agreed well for the first four fundamental modes (within 5%). Furthermore, when the FPC and accelerometer were co-located on the test specimen, their peak frequencies all agreed within 1%.

Birri, Tony↗

Spectral distortions to momentum and scalar exchanges by non-turbulent motion and patchy landscape variability

Modifications to the spectra of turbulent velocity and scalars and co-spectra of vertical fluxes of momentum and scalars due to patchy landscape heterogeneity and non-stationarity are explored for a Mediterranean ecosystem. About 9 months of high frequency measurements of the three velocity components, water vapor concentration, carbon dioxide concentration, and air temperature were analyzed for different seasons (spring/summer) and prevalent wind directions (southeast/northwest). The two wind directions sampled a contrast of clumped and patchy landscape comprised of olive trees (southeast) and wall bounded flow disturbed by the presence of few upwind trees (northwest). The measured spectra and co-spectra were also compared to theoretical scaling forms from stationary, planar homogeneous flow, in the absence of subsidence as derived from the Kansas experiment. To assess the role of low frequency non-turbulent motion on the spectral and co-spectral content, a 5-min Fourier cutoff was introduced and the analysis was limited to near-neutral conditions where the boundary layer depth is shallow compared to its unstable counterpart. It was shown that the velocity statistics were not appreciably impacted by the low-frequency motion causing non-stationarity. Moreover, the turbulent scalar fluxes were also shown not to be significantly impacted by such low frequency motion. The scalar variances were impacted, especially the water vapor variance and its concomitant spectral shape. When the non-turbulent motion was filtered, the scalar spectra at low wavenumbers followed expectations from the so-called attached eddy hypothesis (i.e. exhibited a $k^{-1}_x$ scaling with $k_x$ defining the longitudinal wavenumber) applicable for near-neutral conditions. For momentum co-spectra, the canonical shapes from the Kansas experiment appear to describe well the measurements here and in both dominant directions and seasons with some adjustment to the integral time scales based on wind direction. For the scalar co-spectra, deviations from the Kansas experiment were prevalent. The most noticeable and surprising deviations were their slow decay with increased sampling frequency at inertial subrange scales. This slow decay was shown not to contribute appreciably to the overall scalar fluxes. At those fine scales, predictions from local isotropy were expected to hold. The scalar co-spectral deviations from local isotropy were then discussed using a simplified co-spectral budget model where scalar–scalar co-spectra naturally emerged and the interplay between landscape heterogeneity and a scale-dependent pressure-scalar de-correlation time was postulated. It is also envisaged that the findings here offer a preliminary template for analyzing eddy-covariance data in situations that deviate from ideal conditions, especially regarding low-frequency modulations of scalar spectra and vertical scalar flux co-spectra.

Canopy turbulence↗

Using stable isotopes in water vapor to study the interdependence of clouds, atmospheric aerosols, and precipitation processes

This project deployed water vapor isotope measurements at the La Porte, Texas TRACER site during June-September 2022 to quantify mixing processes in sea breeze circulations. Using a Picarro L2130 analyzer, we collected high-frequency measurements of δD and δ¹⁸O that revealed how marine and terrestrial air masses mix during 46 identified sea breeze events. The isotopic tracers showed systematic changes during frontal passages, with composite analyses demonstrating vertical mixing between cool marine air and warmer air aloft. We developed a transilient matrix model that explicitly treats non-local mixing and isotopic fractionation to interpret the observations. The work directly supports TRACER's core objective of understanding convective initiation by constraining the vertical transport of water vapor and its interaction with Houston's aerosol-laden urban plume during sea breeze-convection coupling.

58 GEOSCIENCES↗

FORTE Measurements of Global Optical Lightning Waveforms and Implications for Optical Lightning Detection

Lightning processes generate a diverse collection of optical pulses from current traversing the lightning channels. These signals are then broadened spatially and temporally via scattering in the clouds. The resulting waveforms measured from space with instruments like the photodiode detector (PDD) on the Fast On-orbit Recording of Transient Events (FORTE) satellite have a variety of shapes. In this study, we use coincident optical and Radio-Frequency measurements to document the properties of optical PDD waveforms associated with different types of lightning, estimate delays from scattering in the clouds, and comment on how pulse shape impacts optical lightning detection. We find that the attributes of optical pulses recorded by the PDD are consistent with prior studies, but vary globally and with event amplitude. The most powerful lightning tends to be single-peaked with faster rise times (median: ~100 µs) and shorter effective widths (median: ~400 µs) than normal lightning. Particularly dim events, meanwhile, include cases of broad optical waveforms with sustained optical emission throughout the PDD record, which the pixelated FORTE Lightning Location System (LLS) instrument has difficulty detecting. We propose that this is due to the optical signal being divided between individual LLS pixels that are each, individually, not bright enough to trigger. We use PDD waveforms and Monte Carlo radiative transfer modeling to demonstrate that increasing the temporal and spatial resolution of a pixelated lightning imager will make it more difficult to detect these broad/dim pulses as their energy becomes divided between additional pixels/integration frames.

54 ENVIRONMENTAL SCIENCES↗