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At least 937 records · Page 52

Interpretable ensemble learning unveils main aerosol optical properties in predicting cloud condensation nuclei number concentration

Variations in cloud condensation nuclei number concentration (N CCN ) significantly influence cloud microphysics, yet direct N CCN measurements remain challenging. Here, we present an N CCN ensemble learning (NEL) model utilizing ensemble learning and interpretability analysis on aerosol optical parameters. Validated at two land sites, two ocean sites and one polar site within the Atmospheric Radiation Measurement program, the mean absolute percentage error range of the NEL model across different environments is from 12% to 36%, demonstrating high accuracy. Key findings reveal that aerosol optical parameters can serve as predictors for N CCN . Aerosol scattering and backscattering coefficients, absorption coefficient, backscatter fraction (BSF), and Ångström exponent (AE) are positively correlated with N CCN , while single scattering albedo shows negative correlations. N CCN prediction at land sites is highly sensitive to BSF, largely driven by the backscattering coefficient, as fine particles dominate in these sites. At ocean sites, N CCN prediction is more sensitive to AE, primarily influenced by the scattering coefficient, due to the higher proportion of larger particles. At the polar site, N CCN prediction shows sensitivity to both BSF and AE, mainly driven by the scattering coefficient, as polar sites are cleaner and contain larger particles. These differences reflect the variation in particle size and number concentration across different environments.

Atmospheric science↗

Solid‐State Reaction Heterogeneity During Calcination of Lithium‐Ion Battery Cathode

Abstract During solid‐state calcination, with increasing temperature, materials undergo complex phase transitions with heterogeneous solid‐state reactions and mass transport. Precise control of the calcination chemistry is therefore crucial for synthesizing state‐of‐the‐art Ni‐rich layered oxides (LiNi 1‐x‐y Co x Mn y O 2 , NRNCM) as cathode materials for lithium‐ion batteries. Although the battery performance depends on the chemical heterogeneity during NRNCM calcination, it has not yet been elucidated. Herein, through synchrotron‐based X‐ray, mass spectrometry microscopy, and structural analyses, it is revealed that the temperature‐dependent reaction kinetics, the diffusivity of solid‐state lithium sources, and the ambient oxygen control the local chemical compositions of the reaction intermediates within a calcined particle. Additionally, it is found that the variations in the reducing power of the transition metals (i.e., Ni, Co, and Mn) determine the local structures at the nanoscale. The investigation of the reaction mechanism via imaging analysis provides valuable information for tuning the calcination chemistry and developing high‐energy/power density lithium‐ion batteries.

Chemistry↗

Understanding interfacial crystallization dynamics on carbon fiber reinforced polypropylene composite manufacturing

Reinforcing polymers with discontinuous fibers improves mechanical properties, such as strength and stiffness, and in some cases achieve isotropic properties, rendering them suitable for various engineering applications. Matrix materials are generally highly engineered thermosets (e.g. crosslinked epoxies), bonded to the fiber periphery by proprietary surface and sizing chemistries. Semicrystalline thermoplastic matrices are less utilized due to poor fiber-matrix bonding resulting in inefficient interfacial load-transfer in reinforced composites. However, flexibility with melt-processing or molding conditions can be leveraged to promote non-covalent interfacial bonding between matrix and fiber via crystallization of the matrix onto fiber surface. In the present study, we utilize a co-mingle chopped carbon and isotactic polypropylene fibers to form isotropic composites, tailoring interfacial immobilized matrix or interphase morphology to optimize performance through precise control of thermal processing/molding windows. Calorimetry and optical microscopy were employed to investigate the impact of carbon fiber at various volume fractions (10, 20, and 30 %) on isotactic polypropylene crystallization and mechanical performance. Variations in mechanical properties correspond to the structural evolution of the interfacial region and are correlated to underlying microstructural attributes using wide-angle X-ray scattering, thermal analysis, and low-field nuclear magnetic resonance spectroscopy. These results provide a practical framework for the manufacturing of thermoplastic matrix composites. In conclusion, the results presented provide a guide for the strategic optimization of interphase design, showcasing tailorable tensile strengths which outperform any isotactic polypropylene carbon fiber composites previously reported in literature.

36 MATERIALS SCIENCE↗

Rapid and automated separation of uranium ore concentrates for trace element analysis by inductively coupled plasma – optical emission spectroscopy/triple quadrupole mass spectrometry

The present study documents an automated approach to performing elemental analysis on a large group uranium ore concentrate (UOC) samples. In this work, 17 UOC samples, 2 quality control samples, and 26 process blanks were purified sequentially through a single 500 μL Uranium and TEtra Valent Actinides (UTEVA®) column. For each sample, the trace elemental impurities were separated from its dissolved uranium matrix on the UTEVA column and collected for analysis by inductively coupled plasma – optical emission spectroscopy / triple quadrupole mass spectrometry (ICP-OES/TQMS). The UTEVA column was subsequently regenerated prior to separation of the following sample. The column was efficiently regenerated, for each UOC, even after processing ~50 mg of uranium, cumulatively. The validity of the method was established by determining the trace impurities of two quality control uranium reference samples (CRM 124–1 and CUP-2). The current trace element measurements from the 17 UOC samples were compared to previously reported values from an interlaboratory comparison exercise, when available. The methodology employed here produces trace elemental analysis with excellent correlation to the previously reported data for many of the elements / samples, particularly when viewed through the context of existing geochemical comparisons tools (e.g. chondrite normalized variation plots).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predictive Inverse Model for Advective Heat Transfer in a Short–Circuited Fracture: Dimensional Analysis, Machine Learning, and Field Demonstration

Identifying fluid flow maldistribution in planar geometries is a well–established problem in subsurface science/engineering. Of particular importance to the thermal performance of enhanced (or “engineered”) geothermal systems is identifying the existence of nonuniform (i.e., heterogeneous) permeability and subsequently predicting advective heat transfer. Here, machine learning via a genetic algorithm (GA) identifies the spatial distribution of an unknown permeability field in a two–dimensional Hele–Shaw geometry (i.e., parallel plates). The inverse problem is solved by minimizing the L2 norm between simulated residence time distribution (RTD) and measurements of an inert tracer breakthrough curve (BTC) (C–Dot nanoparticle). Principal component analysis (PCA) of spatially correlated permeability fields enabled reduction of the parameter space by more than a factor of 10 and restricted the inverse search to reservoir–scale permeability variations. Thermal experiments and tracer tests conducted at the mesoscale Altona Field Laboratory (AFL) demonstrate that the method accurately predicts the effects of extreme flow channeling on heat transfer in a single bedding–plane rock fracture. However, this is only true when the permeability distributions provide adequate matches to both tracer RTD and frictional pressure loss. Without good agreement to frictional pressure loss, it is still possible to match a simulated RTD to measurements, but subsequent predictions of heat transfer are grossly inaccurate. Here, the results of this study suggest that it is possible to anticipate the thermal effects of flow maldistribution, but only if both simulated RTDs and frictional pressure loss between fluid inlets and outlets are in good agreement with measurements.

42 ENGINEERING↗

Neural network denoising of x-ray images from high-energy-density experiments

Noise is a consistent problem for x-ray transmission images of High-Energy-Density (HED) experiments because it can significantly affect the accuracy of inferring quantitative physical properties from these images. We consider experiments that use x-ray area backlighting to image a thin layer of opaque material within a physics package to observe its hydrodynamic evolution. The spatial variance of the x-ray transmission across the system due to changing opacity serves as an analog for measuring density in this evolving layer. The noise in these images adds nonphysical variations in measured intensity, which can significantly reduce the accuracy of our inferred densities, particularly at small spatial scales. Denoising these images is thus necessary to improve our quantitative analysis, but any denoising method also affects the underlying information in the image. In this paper, we present a method for denoising HED x-ray images via a deep convolutional neural network model with a modified DenseNet architecture. In our denoising framework, we estimate the noise present in the real (data) images of interest and apply the inferred noise distribution to a set of natural images. These synthetic noisy images are then used to train a neural network model to recognize and remove noise of that character. We show that our trained denoiser network significantly reduces the noise in our experimental images while retaining important physical features.

47 OTHER INSTRUMENTATION↗

Probing the origin of the two-component structure of broad-line region by reverberation mapping of an extremely variable quasar

ABSTRACT The physical origins of quasar components, such as the broad-line region (BLR) and dust torus, remain under debate. To gain insights into them, we focused on changing-state quasars (CSQs) which provide a unique perspective through structural changes associated with accretion disc state transitions. We targeted SDSS J125809.31+351943.0, an extremely variable CSQ, to study its central core structure and kinematics. We conducted reverberation mapping with optical spectroscopy to explore the structure of the BLR and estimate the black hole mass. The results from Hβ reverberation mapping indicated a black hole mass of $10^{9.64^{+0.11}_{-0.20}}\rm {M_\odot }$. Additionally, we analysed variations in the optical to X-ray spectral indices, αox, before and after the state transition, to investigate the accretion disc. These variations in αox and the Eddington ratio (from 0.4 per cent to 2.4 per cent) exhibitied behaviour similar to state transitions observed in X-ray binary systems. Spectral analysis of Hβ revealed a predominantly double-peaked profile during dim periods, transitioning to include a single-peaked component as the quasar brightened, suggesting that Hβ contains a mixture of two components. Each of these components has its distinct characteristics: the first is a double-peaked profile that remains stable despite changes in the accretion rate, while the second is a variable single-peaked profile. Using time-lags from reverberation mapping, we estimated the spatial relationships between these BLR components, the accretion disc, and the dust torus. Our results suggest that the BLR consists of two distinct components, each differing in location and origin.

Nagoshi, Shumpei (ORCID:0000000326504322)↗

Extending C++ for Heterogeneous Quantum-Classical Computing

In this report we present qcor - a language extension to C++ and compiler implementation that enables heterogeneous quantum-classical programming, compilation, and execution in a single-source context. Our work provides a first-of-its-kind C++ compiler enabling high-level quantum kernel (function) expression in a quantum-language agnostic manner, as well as a hardware-agnostic, retargetable compiler workflow targeting a number of physical and virtual quantum computing backends. qcor leverages novel Clang plugin interfaces and builds upon the XACC system-level quantum programming framework to provide a state-of-the-art integration mechanism for quantum-classical compilation that leverages the best from the community at-large. qcor translates quantum kernels ultimately to the XACC intermediate representation, and provides user-extensible hooks for quantum compilation routines like circuit optimization, analysis, and placement. This work details the overall architecture and compiler workflow for qcor, and provides a number of illuminating programming examples demonstrating its utility for near-term variational tasks, quantum algorithm expression, and feed-forward error correction schemes.

97 MATHEMATICS AND COMPUTING↗

Quantification of the Radiative Effect of Aerosol–Cloud Interactions in Shallow Continental Cumulus Clouds

The indirect radiative effect of aerosol variability on shallow cumulus clouds is realized in nature with considerable concurrent meteorological variability. Large-eddy simulations constrained by observations at a continental site in Oklahoma are performed to represent the variability of different meteorological states on days with different aerosol conditions. The total radiative effect of this natural covariation between aerosol and other meteorological drivers of total cloud amount and albedo is quantified. The changes to these bulk quantities are used to understand the response of the cloud radiative effect to aerosol–cloud interactions (ACI) in the context of concurrent processes, as opposed to attempting to untangle the effect of individual processes on a case-by-case basis. Mutual information (MI) analysis suggests that meteorological variability masks the strength of the relationship between cloud drop number concentration and the cloud radiative effect. This is shown to be mostly due to variation in solar zenith angle and cloud field horizontal heterogeneity masking the relationship between cloud drop number and cloud albedo. By combining MI and more traditional differential analyses, a framework to identify important modes of covariation between aerosol, clouds, and meteorological conditions is developed. This shows that accounting for solar zenith angle variation and implementing an albedo bias correction increases the detectability of the radiative effects of ACI in simulations of shallow cumulus.

54 ENVIRONMENTAL SCIENCES↗

Multiparametric optical label-free imaging to analyze plant cell wall assembly and metabolism. (Final Report)

Plant tissues are often considered not ideal for fluorescence imaging because of the pervasive intrinsic fluorescence of many plant metabolites and the intricate interactions with light of the many semi-crystalline polymers at the cell wall. Our project aims to take advantage of this observed shortcoming by developing a label-free, optical microscopy platform for characterizing multiple fingerprints of important cell wall components and stress-related, at subcellular scale resolution. The new imaging system can collect fingerprints from both emitted and scattered light that can inform on the chemical nature, subcellular distribution, anisotropy, and molecular environment of multiple cell wall components in intact plant tissues. We are combining these imaging capabilities with computational tools that enable correlated registration, integration, and analysis. This fully integrated, multiparametric optical system will be used to address biological problems connected to cell wall assembly in grasses. This includes a focus on developmental and environmental variation of cell wall impregnation with silica, lignin, suberin, and cutin in different tissues and cell types. Our research plan comprises three main goals: (1) To develop an accessible imaging platform and associated open-source software able to extract and integrate fingerprints from fluorescence-associated (multispectral emission, lifetime, and polarization), wide-field polarimetry, second harmonic generation (SHG), and stimulated Raman scattering signals (SRS); (2) To determine unique combination of fingerprints for various cell wall components and selected metabolites; (3) To analyze the process of cell wall silicification in grasses and determine how silicification affects cell wall properties and lignin, cutin, and suberin deposition in other cell types under differ stress conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Community Sentiment Analysis with Focus on CCS

This research assesses community sentiment towards Carbon Capture and Storage (CCS) as depicted in digital media, focusing on themes such as emissions, transport, and storage. Utilizing the VADER sentiment analysis model, the study analyzed titles and descriptions from online news articles to capture immediate impressions and sentiments. Results indicate a predominantly positive sentiment towards CCS, with significant regional variations. States like Alabama and Texas exhibit high positive sentiment, likely due to economic ties to the energy industry, while states like Delaware and Utah show negative sentiment, potentially driven by environmental concerns. The significance of this study lies in its potential to inform policy and communication strategies for CCS implementation. Understanding public sentiment is crucial for the success of CCS projects as it helps to identify and address community concerns. Media influence plays a significant role in shaping public opinion, and this study highlights the need for effective communication strategies to promote the benefits of CCS while addressing any misconceptions. By providing insights into regional differences in sentiment, this research supports the development of tailored interventions that can enhance public acceptance and support for CCS initiatives, ultimately contributing to the success of efforts to mitigate climate change through reduced greenhouse gas emissions.

White, Casey↗

Integration and Quantitative Comparison of Up-Scaled Molecular Observation Network Data with Existing Soil Databases

MONet provides novel soil molecular data to the research community for understanding biogeochemical processes and complementing other soil datasets. This study assesses MONet's ability to replicate known soil patterns via a comparative analysis of soil respiration (Rs), pH, and clay content against benchmark datasets. Results show moderate agreement for pH and clay content, highlighting MONet's strengths in capturing soil biogeochemical variation in underrepresented regions like urban areas. Rs data are marked by the appropriate trends relative to other datasets, but direct comparison is impractical due to methodological differences in underlying data. Strategic sampling is recommended to improve MONet's coverage and eventual utility in bridging molecular observations with global datasets.

54 ENVIRONMENTAL SCIENCES↗

Evaluating seasonal and regional distribution of snowfall in regional climate model simulations in the Arctic

In this study, we investigate how the regional climate model HIRHAM5 reproduces the spatial and temporal distribution of Arctic snowfall when compared to CloudSat satellite observations during the examined period of 2007–2010. For this purpose, both approaches, i.e., the assessments of the surface snowfall rate (observation-to-model) and the radar reflectivity factor profiles (model-to-observation), are carried out considering spatial and temporal sampling differences. The HIRHAM5 model, which is constrained in its synoptic representation by nudging to ERA-Interim, represents the snowfall in the Arctic region well in comparison to CloudSat products. The spatial distribution of the snowfall patterns is similar in both identifying the southeastern coast of Greenland and the North Atlantic corridor as regions gaining more than twice as much snowfall as the Arctic average, defined here for latitudes between 66 and 81°N. Excellent agreement (difference less than 1%) in the Arctic-averaged annual snowfall rate between HIRHAM5 and CloudSat is found, whereas ERA-Interim reanalysis shows an underestimation of 45% and significant deficits in the representation of the snowfall rate distribution. From the spatial analysis, it can be seen that the largest differences in the mean annual snowfall rates are an overestimation near the coastlines of Greenland and other regions with large orographic variations as well as an underestimation in the northern North Atlantic Ocean. To a large extent, the differences can be explained by clutter contamination, blind zone or higher resolution of CloudSat measurements, but clearly HIRHAM5 overestimates the orographic-driven precipitation. The underestimation of HIRHAM5 within the North Atlantic corridor south of Svalbard is likely connected to a poor description of the marine cold air outbreaks which could be identified by separating snowfall into different circulation weather type regimes. By simulating the radar reflectivity factor profiles from HIRHAM5 utilizing the Passive and Active Microwave TRAnsfer (PAMTRA) forward-modeling operator, the contribution of individual hydrometeor types can be assessed. Looking at a latitude band at 72–73°N, snow can be identified as the hydrometeor type dominating radar reflectivity factor values across all seasons. The largest differences between the observed and simulated reflectivity factor values are related to the contribution of cloud ice particles, which is underestimated in the model, most likely due to the small sizes of the particles. The model-to-observation approach offers a promising diagnostic when improving cloud schemes, as illustrated by comparison of different schemes available for HIRHAM5.

54 ENVIRONMENTAL SCIENCES↗

The Effect of Spectral Resolution of Light Sources on Photopic and a-opic Quantities

There is a growing interest in including light source spectrum in advanced lighting software tools and simulations. Given that traditional lighting software tools have been used primarily for calculating photometric quantities, their simplifying assumptions may not be suitable for calculating other a-opic quantities. Commonly used simulation tools use three values to represent the three primary colors (red, green, and blue), but others have expanded the number of bands (i.e., the spectral resolution) to 9, 27, or 81 in an attempt to more accurately represent variations in light source spectrum and downstream spectrally-derived quantities. It remains unclear, however, to what extent spectral resolution affects calculated quantities. To address this gap, a numerical analysis was completed using a large spectral power distribution database (n = 1,302 light sources). Calculated illuminance, a-opic irradiance, luminous efficacy of radiation (LER), melanopic efficacy of radiation (MER), and melanopic to photopic (M/P) ratio were compared for spectral resolutions of 3 and 9 bands compared to a baseline of 81 bands. Across all examined lighting quantities, considerable errors—a mean absolute percent error of 18.4%—were found when using 3 band calculations. These were reduced to 4% for 9 band calculations. The errors varied by metric and light source type. The results suggest that the use of 9 bands can more accurately characterize performance of different light source types across a range of metrics compared to using 3 bands.

Abboushi, Belal K.↗

HOD-dependent systematics in Emission Line Galaxies for the DESI 2024 BAO analysis

The Dark Energy Spectroscopic Instrument (DESI) will provide precise measurements of Baryon Acoustic Oscillations (BAO) to constrain the expansion history of the Universe and set stringent constraints on dark energy. Therefore, precise control of the global error budget due to various systematic effects is required for the DESI 2024 BAO analysis. In this work, we estimate the level of systematics induced in the DESI BAO analysis due the assumed Halo Occupation Distribution (HOD) model for the Emission Line Galaxy (ELG) tracer. We make use of mock galaxy catalogs constructed by fitting various HOD models to early DESI data, namely the One-Percent survey data. Our analysis includes typical HOD models for the ELG tracer used in the literature as well as extensions to the baseline models. Among the extensions, we consider various recipes for galactic conformity and assembly bias. We use 25 AbacusSummit simulations under the ΛCDM cosmology for each HOD model and perform independent analyses in Fourier space and in configuration space. To recover the BAO signal from our mocks we perform BAO reconstruction and apply the control variates technique to reduce sample variance noise. Our BAO analyses can recover the isotropic BAO parameter α iso within 0.1% and the Alcock Paczynski parameter α AP within 0.3%. Overall, we find that the systematic error due to the HOD dependence is below 0.17%, with the Fourier space analysis being more robust against the HOD systematics. We conclude that our analysis pipeline is robust enough against the HOD systematics for the ELG tracer in the DESI 2024 BAO analysis, for the assumptions made.

79 ASTRONOMY AND ASTROPHYSICS↗

Effect of Nuclear Data Covariances on Integral Experiment Design with Sensitivity and Uncertainty Analysis

Washington River Protection Solutions (WRPS) uses MCNP6.2 and the Whisper code for criticality safety analyses of the Hanford Tank Farm. Together the codes derive baseline upper subcritical limits (USLs) for the waste models using experimental benchmarks. Whisper returns higher USLs, i.e. , has less of a conservative penalty, when the neutronic similarity of the experimental benchmarks to the application is high. Unfortunately, few critical benchmarks have high similarity to the Hanford tanks. The waste in the tanks is highly dilute in plutonium and contains large masses of weakly neutron-absorbing elements like iron and manganese. Experimental benchmarks typically have low sensitivity to these absorbers because they are present as structural materials. Lacking similar benchmarks, new Thermal Epithermal eXperiment (TEX) configurations with high Pu content and interstitial iron absorbers have been designed for the criticality safety validation. The features of the design have been iterated upon to maximize the similarity between the experiment and different Hanford waste models. The similarity is quantified with sensitivity analysis and uncertainty quantification using the representativity coefficient, or c k . The representativity calculation requires nuclear data covariances, which may differ between nuclear data libraries and between library versions. Because of these variations, the optimal design may depend on the nuclear data covariances library. A scenario can be envisioned where an experiment is designed, and c k is maximized, with one set of covariance data. However, when the covariance data is changed, say from ENDF/B-VII.1 to ENDF/B-VIII.0, and the benchmark is used in a criticality safety evaluation, the experiment becomes suboptimal with respect to c k . In this paper, we present how the optimal design of the new TEX experiments varied depending on the nuclear data covariances used to calculate c k . We compare ENDF/B-VII.1 and ENDF/B-VIII.0, as if the library had been updated since the design of the experiment. Additionally, we use JEFF3.3 to simulate if the covariance data of a different library had been used. The results show that the covariances do have an important effect on the designs, less so for thermal systems (where the data are more consistent between evaluations) and more so for epithermal systems where more differences exist.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

QCD+QED PDF implications for the Higgs sector

In this work, we examine the implications of electroweak corrections beyond leading order for processes of special interest in the Higgs sector. We especially explore the role of these corrections given the introduction of an explicit parton distribution function (PDF) for the photon in the proton, an object which emerges necessarily in global PDF fits which include QED effects (i.e., ‘QCD+QED PDFs’). We concentrate on several representative cases, including total Higgs-production cross sections through gluon fusion, gg → H, vector-boson fusion (VBFH), and associated production, pp → V H; we also examine differential distributions, taking a representative Higgs-strahlung process, pp → W + H. We find that the recently developed LUX formalism for the photon PDF significantly stabilizes the PDF dependence of both QED-PDF and electroweak corrections in the Higgs sector, while leaving overall ~ 3–4% cross-section-level variations, depending on the chosen QCD+QED PDF. We illustrate this QCD+QED PDF dependence by exploring predictions based upon recent analyses of the CTEQ-TEA, MSHT, and NNPDF analysis groups, fitted either at NNLO or approximate N3LO in QCD.

Higgs production↗

The inclusion of uncertainty in circularity transition modeling: A case study on wind turbine blade end-of-life management

The transition to a more circular economy (CE) is complex and hard to predict, including in sustainable energy technologies. Many sources of uncertainty make it challenging to model CE scenarios and their potential benefits. As an example, the high variability in costs and revenues of different recycling options makes future wind turbine blade recycling highly uncertain. To better understand this challenge, the circular economy, life cycle assessment and visualization (CELAVI) framework - a discrete event simulation and life cycle assessment framework - is modified to incorporate uncertainty analysis capabilities. Moreover, a 3-step procedure that covers different aspects of uncertainty in CE studies and includes a Monte-Carlo analysis is proposed. The procedure is tested in a case study on wind turbine blade recycling using CELAVI. Results highlight that grinding and landfilling costs are the most influential parameters for wind power circularity. The model's output coefficients of variation (when input parameter uncertainties are propagated) are between 92% and 384% depending on the indicator. The approach developed in this study may help researchers and decision-makers who study circularity prioritize their data collection effort. Finally, our method contributes to a mounting yet critical body of research: the measurement of uncertainty in circularity transitions.

17 WIND ENERGY↗