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At least 1,081 records · Page 60

Fast convolutional neural networks on FPGAs with hls4ml

We introduce an automated tool for deploying ultra low-latency, low-power deep neural networks with convolutional layers on field-programmable gate arrays (FPGAs). By extending the hls4ml library, we demonstrate an inference latency of 5 µs using convolutional architectures, targeting microsecond latency applications like those at the CERN Large Hadron Collider. Considering benchmark models trained on the Street View House Numbers Dataset, we demonstrate various methods for model compression in order to fit the computational constraints of a typical FPGA device used in trigger and data acquisition systems of particle detectors. In particular, we discuss pruning and quantization-aware training, and demonstrate how resource utilization can be significantly reduced with little to no loss in model accuracy. We show that the FPGA critical resource consumption can be reduced by 97% with zero loss in model accuracy, and by 99% when tolerating a 6% accuracy degradation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Confronting Large‐Eddy Simulations With Stereo Camera Data by Means of Reconstructed Hemispheric Cloud Size Distributions

High-resolution hemispheric camera images at a meteorological site in western Germany are used to analyze the multi-dimensional spatial characteristics of continental cumulus cloud fields, and to evaluate Large-Eddy Simulations on this aspect. Traditional non-hemispheric cloud-detecting instruments provide additional reference data. The main model-observation comparison focuses on cloud size distributions (CSDs), employing two methods: (a) directly using three-dimensional model fields, direct CSDs, and (b) using rendered hemispheric images of the model fields as produced by a camera simulator based on path-tracing. In the latter method, both the real and rendered images are used to three-dimensionally reconstruct the cloud fields, yielding hemispheric CSDs. Advantages of hemispheric comparisons over more classic approaches include (a) fair comparisons between model and data, and (b) full use of the enhanced resolutions and hemispheric spatial coverage of the camera imagery. Basic evaluation of the simulations demonstrates good agreement on thermodynamic structure and its diurnal cycle. Cloud heights and cloud cover are intercompared between the model, camera data and other instrumentation, providing insight into their structural differences. A consistent alignment is found between the hemispheric CSDs from both the model and the cameras. Power law fits reveal structurally lower exponents in hemispheric CSDs compared to non-hemispheric CSDs, which particularly caution against directly comparing hemispheric CSDs to non-hemispheric distributions. This result is robust for sample size and fitting method. These findings inform future use of hemispheric camera systems for studying cumulus cloud field morphology and model evaluation.

54 ENVIRONMENTAL SCIENCES↗

The NANOGrav 15 yr Data Set: Search for Signals from New Physics

The 15 yr pulsar timing data set collected by the North American Nanohertz Observatory for Gravitational Waves (NANOGrav) shows positive evidence for the presence of a low-frequency gravitational-wave (GW) background. In this paper, we investigate potential cosmological interpretations of this signal, specifically cosmic inflation, scalar-induced GWs, first-order phase transitions, cosmic strings, and domain walls. We find that, with the exception of stable cosmic strings of field theory origin, all these models can reproduce the observed signal. When compared to the standard interpretation in terms of inspiraling supermassive black hole binaries (SMBHBs), many cosmological models seem to provide a better fit resulting in Bayes factors in the range from 10 to 100. However, these results strongly depend on modeling assumptions about the cosmic SMBHB population and, at this stage, should not be regarded as evidence for new physics. Furthermore, we identify excluded parameter regions where the predicted GW signal from cosmological sources significantly exceeds the NANOGrav signal. These parameter constraints are independent of the origin of the NANOGrav signal and illustrate how pulsar timing data provide a new way to constrain the parameter space of these models. Finally, we search for deterministic signals produced by models of ultralight dark matter (ULDM) and dark matter substructures in the Milky Way. We find no evidence for either of these signals and thus report updated constraints on these models. In the case of ULDM, these constraints outperform torsion balance and atomic clock constraints for ULDM coupled to electrons, muons, or gluons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

AK112: Full Waveform Inversion Tomography of Alaska Improves Waveform Fits While Imaging Crustal, Mantle, and Slab Structure

We report a full waveform inversion tomography model of Alaska and the surrounding regions, inferring radially anisotropic shear and isotropic compressional wavespeeds by fitting complete waveforms from 120 regional earthquakes. Our multiscale approach inverted time–frequency phase misfits (maximum period of 100 s), starting with a minimum period of 40 s and ending at 20 s in 7 stages and 112 total iterations. The model (AK112) was evaluated by computing the misfits for 36 independent validation events. We find that misfit reductions were large and equal (∼55%) for both the inversion and validation data sets, providing confidence in the model. AK112 also provides much better waveform fits compared to other reported models for the region, including an isotropic version of itself, highlighting the importance of anisotropy. The model resolves known crustal, upper mantle, and slab structure to depths of 100 km with new detail: sedimentary basins in the Alaskan Shelf, Cook Inlet, and Colville basins, among others; discontinuous lithospheric structure across major terrane boundaries; and subducting slab geometry and back‐arc volcanic sources. In addition to tectonic interpretations, the model enables full waveform simulations for long‐period earthquake ground motions and source characterization (e.g., moment tensor and finite‐fault inversion).

Rodgers, Arthur [Lawrence Livermore National Labor↗

Reduced-Order Modeling of Hydrogen Releases from Vent Stacks and with Wind Effects

Here, the physical release behavior of hydrogen is important to understand from a safety and design perspective. The consequences of unignited pressurized gaseous hydrogen plumes exiting vent stacks were considered by extending and modifying existing general hydrogen plume models. Entrainment, vent stack backpressure, and the flow regime of hydrogen exiting the vent were found to be significant factors affecting plume shape and size, but further investigation and validation with unchoked, low-Froude-number flows is recommended to improve the model’s robustness. Additionally, models for the effects of wind on unignited plume momentum and entrainment were added to explore this behavior. Wind was assumed to increase mixing of hydrogen with the ambient air, and to affect the momentum of the released jet. Introducing wind into the plume model led to a shorter plume for all wind and jet directions. A high counter-flowing wind led to non-physical results and challenges in interpreting the visualization. The proposed jet plume wind sub-models (specifically entrainment coefficients) were fit and compared to experimental data of different releases of hydrogen into a wind tunnel, but the quantity of data available and experimental conditions were limited. Thus, collection of more empirical data and for a wider range of conditions is recommended for improvement of the proposed computational models. Developing reduced-order models for these physical phenomena can improve accessibility to predicted physical behavior and the rate at which hydrogen systems can be safely designed and deployed.

entrainment↗

Efficiency and mechanisms of Sb(III/V) removal by Fe-modified biochars using X-ray absorption spectroscopy

Fe-modified biochars (FeBC) are effective antimony (Sb) removal materials; however, the removal mechanisms require further investigation. In this study, aqueous Sb(III) and Sb(V) removal by FeBC (300, 600, and 900 °C) was evaluated, with the adsorption mechanisms investigated using X-ray absorption spectroscopy (XAS). Screening results (based on removal efficiencies) using different types of FeBC indicated the 900 °C FeCl3- modified biochar (FeCl3BC900) achieved the best Sb(III/V) removal performance. The kinetics of the Sb(III/V) removal process were best fitted by a pseudo-second-order model. Additionally, the isothermal results were described by Langmuir and Redlich-Peterson models. Aqueous analysis and X-ray absorption near-edge structure data fitting indicated Sb(III) was oxidized to Sb(V) in the Sb(III)-spiked system, and the oxidation extent increased with increasing pyrolysis temperature. The oxidation process rapidly occurred in both the solution and biochar. No Sb(V) was reduced to Sb(III) in the Sb(V)-spiked system. The XAS results of the isothermal experiment indicated the oxidation capacity of FeCl3BC900 was limited for high initial Sb(III) concentrations. The SbFe1 and Sb-Fe2 bonding distances were 3.05–3.10 and 3.47–3.54 Å, respectively, indicating inner-sphere complexes were formed during the Sb(III/V) removal processes. The Sb(III/V) removal mechanisms included electrostatic adsorption, inner-sphere complexes, and coprecipitation. Oxidation was also involved in Sb(III) removal.

Antimony↗

Robust Interpretation of Electrochemical Impedance Spectra Using Numerical Complex Analysis

Electrochemical Impedance Spectroscopy (EIS) is a noninvasive technique widely used for understanding charge transfer and charge transport processes in electrochemical systems and devices. Standard approaches for the interpretation of EIS data involve starting with a hypothetical circuit model for the physical processes in the device based on experience/intuition and then fitting the EIS data to this circuit model. This work explores a mathematical approach for extracting key characteristic features from EIS data by relying on fundamental principles of complex analysis. These characteristic features can suggest the presence of inductors and constant phase elements (nonideal capacitors) from impedance data and enable us to answer questions about the identifiability and nonuniqueness of equivalent circuit models. In certain scenarios such as models with only resistors and capacitors, we are able to enumerate all possible families of circuit models. Finally, we apply the mathematical framework presented here to real-world electrochemical systems and highlight results using impedance measurements from a lithium-ion battery coin cell.

charge transfer↗

Pulsed photoemission induced plasma breakdown

Abstract This article characterises the effects of cathode photoemission leading to electrical discharges in an argon gas. We perform breakdown experiments under pulsed laser illumination of a flat cathode and observe Townsend to glow discharge transitions. The breakdown process is recorded by high-speed imaging, and time-dependent voltage and current across the electrode gap are measured for different reduced electric fields and laser intensities. We employ a 0D transient discharge model to interpret the experimental measurements. The fitted values of transferred photoelectron charge are compared with calculations from a quantum model of photoemission. The breakdown voltage is found to be lower with photoemission than without. When the applied voltage is insufficient for ion-induced secondary electron emission to sustain the plasma, laser driven photoemission can still create a breakdown where a sheath (i.e. a region near the electrode surfaces consisting of positive ions and neutrals) is formed. This photoemission induced plasma persists and decays on a much longer time scale ( ∼ 10 s μ s) than the laser pulse length ( 30 ps). The effects of different applied voltages and laser energies on the breakdown voltage and current waveforms are investigated. The discharge model can accurately predict the measured breakdown voltage curves, despite the existence of discrepancy in quantitatively describing the transient discharge current and voltage waveforms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extending the Gutowski model to kidney-bean and elliptically shaped fibers

Efforts by manufacturers to produce more cost-effective carbon fibers have resulted in fibers with irregular cross-section often referred to as kidney-bean shaped fibers. In this research, compaction experiments were performed with a modified laser light section method to evaluate the compaction behavior of kidney-bean shaped carbon fibers. The kidney-bean shaped fibers followed a different compaction behavior compared to the Gutowski model for circular fibers. Additionally, these fibers required an order of magnitude larger force to compact than circular fibers to achieve similar fiber volume fraction, which has implications in infiltration and consolidation efficiency for composites manufacturing. A shape correction factor based on the fiber cross-sectional aspect ratio was proposed to extend the Gutowski model to fibers with irregular cross-sectional shapes. The modified Gutowski model provided an appropriate order of magnitude fit for the kidney-bean fibers. Furthermore, this modification to the Gutowski model recovered the original solution for circular fibers (cross-sectional aspect ratio = 1).

Materials Science↗

Refining internal bilayer structure of bicelles resolved by extended-q small angle X-ray scattering

The internal profile across the bilayer reveals important structural information regarding the crystallinity of acyl chains or the positions of encapsulated species. Here, we demonstrate that a simple five-layer-core-shell discoidal model can be employed tobest fit the extended-qsmall angle X-ray scattering (SAXS) data and resolvethe bilayer internal structure (with sub-nanometer resolution) of a nanoscale discoidal system comprised of a mixture of long-and short-chain lipids(known as “bicelles”). In contrast to the traditional core-shell discoidal model, the detailed structure in the hydrophobic core such as the methylene and methyl groups can be distinguished via this model. The refined model is validated by the SAXS data of bicelles whose electron scattering length density of the hydrophobic core is adjusted by the addition of a long-chain lipid with a fluorine-end group.The higher resolution of the bilayer internal structure can be employed to advance our understanding of the interaction and conformation of the membrane and associated molecules, such as membrane-associated proteins and locations of entrapped species in the lipid nanoparticles.

36 MATERIALS SCIENCE↗

DeePMD-kit v2: A software package for deep potential models

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features, such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, DP-range correction, DP long range, graphics processing unit support for customized operators, model compression, non-von Neumann molecular dynamics, and improved usability, including documentation, compiled binary packages, graphical user interfaces, and application programming interfaces. This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, this article presents a comprehensive procedure for conducting molecular dynamics as a representative application, benchmarks the accuracy and efficiency of different models, and discusses ongoing developments.

97 MATHEMATICS AND COMPUTING↗

Velocity-dependent J-factors for Milky Way dwarf spheroidal analogues in cosmological simulations

We study the impact of the dark matter velocity distribution modelling on signals from velocity-dependent dark matter annihilation in Milky Way dwarf spheroidal galaxies. Using the high resolution APOSTLE simulations, we identify analogues corresponding to Milky Way dwarf spheroidal galaxies, and from these directly determine the dark matter pair-wise relative velocity distribution, and compare to best-fitting Maxwell-Boltzmann distribution models. For three velocity-dependent annihilation models, p-wave, d-wave, and the Sommerfeld model, we quantify the errors introduced when using the Maxwell-Boltzmann parameterization. We extract a simple power-law relation between the maximum circular velocity of the dwarf spheroidal analogue and the peak speed of the Maxwell-Boltzmann distribution. We show that this relation can be used to accurately calculate the dark matter relative velocity distribution, and find that it allows us to estimate the dark matter annihilation signal without the need to directly calculate the relative velocity distribution for each galaxy. The scatter in the J-factors calculated from the analogues dominates the uncertainty obtained when compared to the J-factor as determined from the observational data for each dwarf spheroidal, with the largest scatter from d-wave models and the smallest from Sommerfeld models.

79 ASTRONOMY AND ASTROPHYSICS↗

Importance of Considering Near-Surface Attenuation in Earthquake Source Parameter Estimation: Insights from Kappa at a Dense Array in Oklahoma

ABSTRACT Separating earthquake source spectra from propagation effects is challenging. The propagation effect contains a site-dependent term related to the high attenuation of shallow sediments. Neglecting the site-dependent attenuation can cause large biases and scattering in the corner-frequency (fc) estimates, resulting in significant stress-drop deviations. In this study, we investigate shallow attenuation at the LArge-n Seismic Survey in Oklahoma (LASSO) and site-related biases and scattering in source parameter measurements due to simplified attenuation models. We measure the high-frequency spectral decay parameter kappa on the vertical acceleration spectra of regional earthquakes (125 km away). The site-dependent kappa (κ0,acc) suggests that attenuation increases rapidly at shallow depth and is highly site-dependent. 10%–75% of the attenuation is site-dependent for S waves and even larger for P waves. The quality factor for S waves (QS) ranges from 10 to 100 in the upper 400 m. QP for P waves is mostly below 10 within the same depth. The Quaternary sediments tend to be more attenuating (QS<30), but the Permian rocks also can have high attenuation. We demonstrate that using a non-site-dependent attenuation model in single-spectra fitting leads to large scattering in fc estimates among stations with apparent good fits. The apparent fc can significantly deviate when the range of site-dependent kappa is large or with a higher assumed source spectral fall-off rate n. The biases in apparent fc depend on site condition and distance; however, the correlation between fc and these factors might not be obvious, depending on model assumptions. An apparent increase of stress drop with magnitude in a previous study for local microearthquakes (1.3

Chang, Hilary↗

BayFlux: A Bayesian method to quantify metabolic Fluxes and their uncertainty at the genome scale

Metabolic fluxes, the number of metabolites traversing each biochemical reaction in a cell per unit time, are crucial for assessing and understanding cell function. 13 C Metabolic Flux Analysis ( 13 C MFA) is considered to be the gold standard for measuring metabolic fluxes. 13 C MFA typically works by leveraging extracellular exchange fluxes as well as data from 13 C labeling experiments to calculate the flux profile which best fit the data for a small, central carbon, metabolic model. However, the nonlinear nature of the 13 C MFA fitting procedure means that several flux profiles fit the experimental data within the experimental error, and traditional optimization methods offer only a partial or skewed picture, especially in “non-gaussian” situations where multiple very distinct flux regions fit the data equally well. Here, we present a method for flux space sampling through Bayesian inference (BayFlux), that identifies the full distribution of fluxes compatible with experimental data for a comprehensive genome-scale model. This Bayesian approach allows us to accurately quantify uncertainty in calculated fluxes. We also find that, surprisingly, the genome-scale model of metabolism produces narrower flux distributions (reduced uncertainty) than the small core metabolic models traditionally used in 13 C MFA. The different results for some reactions when using genome-scale models vs core metabolic models advise caution in assuming strong inferences from 13 C MFA since the results may depend significantly on the completeness of the model used. Based on BayFlux, we developed and evaluated novel methods (P- 13 C MOMA and P- 13 C ROOM) to predict the biological results of a gene knockout, that improve on the traditional MOMA and ROOM methods by quantifying prediction uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗

Strong Upper-Plate Heterogeneity at the Hikurangi Subduction Margin (North Island, New Zealand) Imaged by Adjoint Tomography

We use earthquake-based adjoint tomography to invert for three-dimensional structure of the North Island, New Zealand, and the adjacent Hikurangi subduction zone. The study area, having a shallow depth to the plate interface below the North Island, offers a rare opportunity for imaging material properties at an active subduction zone using land-based measurements. Starting from an initial model derived using ray tomography, we perform iterative model updates using spectral element and adjoint simulations to fit waveforms with periods ranging from 4–30 s. We perform 28 model updates using an L-BFGS optimization algorithm, improving data fit and introducing P- and S-wave velocity changes of up to ±30%. Resolution analysis using point spread functions show that our measurements are most sensitive to heterogeneities in the upper 30 km. The most striking velocity changes coincide with areas related to the active Hikurangi subduction zone. Lateral velocity structures in the upper 5 km correlate well with New Zealand geology. Here, the inversion reveals increased along-strike heterogeneity on the margin. In Cook Strait we observe a low-velocity zone interpreted as deep sedimentary basins. In the central North Island, low-velocity anomalies are linked to surface geology, and we relate velocity structures at depth to crustal magmatic activity below the Taupō Volcanic Zone.

58 GEOSCIENCES↗

Machine-Learning Assisted Identification of Accurate Battery Lifetime Models with Uncertainty

Reduced-order battery lifetime models, which consist of algebraic expressions for various aging modes, are widely utilized for extrapolating degradation trends from accelerated aging tests to real-world aging scenarios. Identifying models with high accuracy and low uncertainty is crucial for ensuring that model extrapolations are believable, however, it is difficult to compose expressions that accurately predict multivariate data trends; a review of cycling degradation models from literature reveals a wide variety of functional relationships. Here, a machine-learning assisted model identification method is utilized to fit degradation in a stand-out LFP-Gr aging data set, with uncertainty quantified by bootstrap resampling. The model identified in this work results in approximately half the mean absolute error of a human expert model. Models are validated by converting to a state-equation form and comparing predictions against cells aging under varying loads. Parameter uncertainty is carried forward into an energy storage system simulation to estimate the impact of aging model uncertainty on system lifetime. The new model identification method used here reduces life-prediction uncertainty by more than a factor of three (86% ± 5% relative capacity at 10 years for human-expert model, 88.5% ± 1.5% for machine-learning assisted model), empowering more confident estimates of energy storage system lifetime.

25 ENERGY STORAGE↗

Chelation Modeling of a Plutonium-238 Inhalation Incident Treated with Delayed DTPA

This work describes an analysis, using a previously established chelation model, of the bioassay data collected from a worker who received delayed chelation therapy following a plutonium-238 inhalation. The details of the case have already been described in two publications. The individual was treated with Ca-DTPA via multiple intravenous injections and then nebulizations beginning several months after the intake and continuing for four years. The exact date and circumstances of the intake are unknown. However, interviews with the worker suggested that the intake occurred via inhalation of a soluble plutonium compound. The worker provided daily urine and fecal bioassay samples throughout the chelation treatment protocol, including samples collected before, during, and after the administration of Ca-DTPA. Unlike the previous two publications presenting this case, the current analysis explicitly models the combined biokinetics of the plutonium-DTPA chelate. Further, using the previously established chelation model, it was possible to fit the data through optimizing only the intake (day and magnitude), solubility, and absorbed fraction of nebulized Ca-DTPA. This work supports the hypothesis that the efficacy of the delayed chelation treatment observed in this case results mainly from chelation of cell-internalized plutonium by Ca-DTPA (intracellular chelation). It also demonstrates the validity of the previously established chelation model. As the bioassay data were modified to ensure data anonymization, the calculation of the “true” committed effective dose was not possible. However, the treatment-induced dose inhibition (in percentage) was calculated.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Functional Predictor Variables for the Leaching Potential of Arsenic and Selenium from Coal Fly Ash

The release of leachates from intact coal ash impoundments is a concern due to the enrichment and mobilization of toxic elements such as arsenic (As) and selenium (Se). This study aims to explore the intrinsic properties of coal fly ash that correlate with the relative leachability of As and Se. We performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic regions. We assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition, and pH. The results of regression models indicated that major elements (Fe, Ca, and Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash.

01 COAL, LIGNITE, AND PEAT↗