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At least 1,099 records · Page 61

Dark Energy Survey Year 3 results: optimized $w$CDM simulation-based inference with weak lensing map-level hybrid statistics

We present cosmological constraints from the Dark Energy Survey Year 3 (DES Y3) weak lensing data using hierarchical hybrid statistics within a Bayesian simulation-based inference framework that is based on the Gower Street simulations. To maximize the precision of the inference, we have developed a new, information-theory based, data compression of the weak lensing maps to just seven highly informative summary statistics. The hybrid scheme exploits the high information content of the power spectrum, compressing both the power spectrum and neural-based summaries that are designed to extract further information. Our simulation-based approach enables principled forward modelling of all major sources of systematic uncertainty and survey properties into realistic mock observations, including the survey mask, photometric redshift uncertainties, intrinsic galaxy alignments, multiplicative shear calibration bias, source galaxy clustering, non-Gaussian shape noise, and non-linear structure formation. The summary statistics are then used in a Bayesian simulation-based inference pipeline. The inference is validated through coverage tests and checks for robustness against baryonic feedback. Assuming a $w$CDM cosmology, our analysis yields $S_8 = 0.808 \pm 0.017$, $Ω_{\rm m} = 0.325 \pm 0.024$, and $w < -0.766$ (marginalized posterior 68 per cent credible intervals). This rigorous combination of information theory, physics- and neural network-based extreme data compression, and principled Bayesian analysis improves the figure of merit for $(Ω_{\rm m}, S_8, w)$ by 60 per cent over the previous state-of-the-art, and by almost a factor of 3 over two-point analyses of the same data. They are the most precise joint constraints on $(Ω_{\rm m}, S_8, w)$ from weak gravitational lensing data alone of any survey to date. We intend to apply this analysis to the more recent DES Y6 data.

Williamson, J. [University Coll. London]↗

Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets

Thousands of chemical properties can be calculated for small molecules, which can be used to place the molecules within the context of a broader “chemical space.” These definitions vary based on compounds of interest and the goals for the given chemical space definition. Here, we introduce a customizable (i.e., modular) Python module, chespa, built to easily assess different chemical space definitions through cluster-ing of compounds in these spaces and visualize trends of these clusters. To demonstrate this, chespa currently streamlines prediction of vari-ous molecule descriptors (predicted chemical properties, molecular substructures, AI-based chemical space, and chemical class ontology) in order to test 6 different chemical space definitions. Furthermore, we investigated how these varying definitions trend with mass spectrometry (MS)-based observability, i.e., the ability of a molecule to be observed with MS (e.g., as a function of the molecule ionizability), using an example data set from the U.S. EPA's Non-Targeted Analysis Collaborative Trial (ENTACT), where blinded samples had been analyzed previously, providing 1,398 data points. Improved understanding of observability would offer many advantages in small molecule identifica-tion, such as (i) a priori selection of experimental conditions based on suspected sample composition, (ii) the ability to reduce the number of candidate structures during compound identification by removing those less likely to ionize, and, in turn, (iii) a reduced false discovery rate and increased confidence in identifications. Factors controlling observability are not fully understood, making prediction of this property non-trivial and a prime candidate for chemical space analysis. Chespa is available at github.com/pnnl/chespa.

Nunez, Jamie↗

Iterative Bragg peak removal on X-ray absorption spectra with automatic intensity correction

This study introduces a novel iterative Bragg peak removal with automatic intensity correction (IBR-AIC) methodology for X-ray absorption spectroscopy (XAS), specifically addressing the challenge of Bragg peak interference in the analysis of crystalline materials. The approach integrates experimental adjustments and sophisticated post-processing, including an iterative algorithm for robust calculation of the scaling factor of the absorption coefficients and efficient elimination of the Bragg peaks, a common obstacle in accurately interpreting XAS data, particularly in crystalline samples. The method was thoroughly evaluated on dilute catalysts and thin films, with fluorescence mode and large-angle rotation. The results underscore the technique's effectiveness, adaptability and substantial potential in improving the precision of XAS data analysis. While demonstrating significant promise, the method does have limitations related to signal-to-noise ratio sensitivity and the necessity for meticulous angle selection during experimentation. Overall, IBR-AIC represents a significant advancement in XAS, offering a pragmatic solution to Bragg peak contamination challenges, thereby expanding the applications of XAS in understanding complex materials under diverse experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Grid Voltage Control Analysis for Heavy-Duty Electric Vehicle Charging Stations

This paper presents an analysis of grid voltage control strategies for heavy-duty electric vehicle charging stations. The performance of three voltage control approaches—including power factor control, standardized volt-volt ampere reactive (VAR) curve control, and customized volt-VAR curve control—are investigated and evaluated for three different sizes of charging stations, including a single-port charging station, a midsized three-port charging station, and six-port travel center. The charging stations are placed on multiple locations of four different types of distribution systems to obtain a comprehensive performance analysis of the voltage control approaches under different scenarios. To quantitively compare the performance of the three voltage control approaches, a series of metrics are designed to quantify the performance and contribute to the comprehensive analysis.

47 OTHER INSTRUMENTATION↗

Response of Ecosystem Productivity to High Vapor Pressure Deficit and Low Soil Moisture: Lessons Learned From the Global Eddy-Covariance Observations

Although there is mounting concern about how high vapor pressure deficit (VPD) and low soil moisture (SM) affect ecosystem productivity, their relative importance is still under debate. Here, we comprehensively quantified the relative impacts of these two factors on ecosystem gross primary production (GPP) using observations from a global network of eddy-covariance towers and two approaches (sensitivity analysis and linear regression model). Both approaches agree that a higher percentage of sites experience GPP reduction from high VPD than from low SM over the growing season. However, the constraint of high VPD and low SM on GPP reduction is tightly linked with climates and plant functional types. Humid and mesic ecosystems including forests and grasslands are dominated by VPD, while the semi-arid and arid ecosystems including shrublands and savannas are dominated by SM. The varying dominant role of these two factors on GPP is closely related to plant stomatal behavior, as predicted by a stomatal conductance model. Additionally, we highlight the non-linear impact of SM on GPP during droughts and the possible underestimation of the SM effects for deep-rooted plants when only using surface-layer SM. Our results shed light on a better understanding of the impacts of VPD and SM on vegetation productivity, with important implications for modeling the response and feedback of ecosystem dynamics to current and future climates.

54 ENVIRONMENTAL SCIENCES↗

Status Quo and Gap Analysis of Heliostat Field Deployment Processes for Concentrating Solar Tower Plants

In this study, deployment of the solar field of a concentrating solar power plant is one of many factors that are integral to the success of a project. Knowledge transfer from outside the industry is limited due to the unique nature of heliostats, which redirect sunlight to a receiver with high precision while maintaining a high level of reflectivity. Moreover, learning from project to project can be limited due to the site-specific nature of projects, as the market includes several developers, each with their own unique design. In this paper, we discuss the state of the art in heliostat field deployment. We cover all the key aspects of deployment from project assessment to a fully functioning system, which include site selection, layout development, supply chain, assembly, site preparation and construction, calibration, and operations and maintenance. We then perform a gap analysis on field deployment and recommend priorities for future research.

14 SOLAR ENERGY↗

Evaluating the mineral commodity supply risk of the U.S. manufacturing sector

Trade tensions, resource nationalism, and various other factors are increasing concerns regarding the supply reliability of nonfuel mineral commodities. This is especially the case for commodities required for new and emerging technologies ranging from electric vehicles to wind turbines. In this analysis, we use a conventional risk-modeling framework to develop and apply a new methodology for assessing the supply risk to the U.S. manufacturing sector. Specifically, supply risk is defined as the confluence of three factors: the likelihood of a foreign supply disruption, the dependency of U.S. manufacturers on foreign supplies, and the ability of U.S. manufacturers to withstand a supply disruption. The methodology is applied to 52 commodities for the decade spanning 2007–2016. The results indicate that a subset of 23 commodities, including cobalt, niobium, rare earth elements, and tungsten, pose the greatest supply risk. This supply risk is dynamic, shifting with changes in global market conditions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Operando Spectroscopic Analysis of Photovoltage Generation in Hematite Photoanodes

Solar-driven water splitting requires sufficient photovoltage to drive both water oxidation and proton reduction. Understanding the factors driving and limiting photovoltage generation is therefore crucial to optimizing photoelectrode design but has proven challenging to determine under operando conditions for photoanodes driving slow multiredox reactions such as water oxidation. In this work, operando optical spectroscopy is employed to measure the hole quasi-Fermi level (E F,p ) position in model hematite photoanodes as a function of applied bias and light intensity. The quasi-Fermi level splitting determined from these data are shown be in excellent agreement with the directly measured photovoltages, demonstrating the primarily electrochemical rather than primarily electrostatic origin of photovoltage in these photoelectrodes. E F,p pinning is observed at low light intensities and biases, indicative of hole trap states lying ∼0.2 eV above the valence band edge with a density of ∼1 nm −2 . Hole accumulation in these trap states is correlated with first order water oxidation. At higher light intensities and/or more anodic bias, E F,p becomes unpinned, assigned to saturation of these trap states, and correlated with the onset of third order water oxidation to molecular oxygen. Comparison with rate law analyses for other photoanodes indicates that such hole trap states may be a ubiquitous feature of metal oxides and suggests that materials processing strategies to suppress the density of such states would be a promising strategy to enhance photoanode performance.

Hematite↗

Coupling Shared E-scooters and Public Transit: A Spatial and Temporal Analysis

The integration of shared e-scooters with public transit is a promising solution for urban mobility's first/last-mile challenge. This study explores spatiotemporal factors influencing this integration, using 35-day e-scooter trip data from Chicago. Employing a random-effect negative binomial approach, we modeled the frequency of e-scooter trips to access/egress to/from bus stops and train stations. Results indicate that weather conditions, design features like intersection density, and multimodal network density significantly influence usage. The transit system characteristics such as service frequency have a positive effect on the integration of e-scooters and trains while a similar effect for bus and e-scooter integration was not significant. Furthermore, safety-related variables such as accident and crime rates as well as demographic characteristics were also revealed to be significant factors in our study. These findings offer vital insights to urban planners and policymakers for infrastructure, safety enhancements, and interventions to encourage efficient e-scooter-public transit integration.

Chicago↗

Integral analysis of the effect of material dimension and composition on tokamak neutronics *

Abstract The neutronics performance of a tokamak has been identified as an important factor in designing a fusion power plant. The design of the tokamak should not only meet operational parameters such as sufficient tritium breeding, but also safety parameters such as low structural material activation. This paper investigates the impacts of the neutronics metrics for the ARC-class tokamak, a compact tokamak with an immersion blanket, by perturbing the first five layers of structural material—first wall, inner vacuum vessel, coolant salt channel, neutron multiplier, and outer vacuum vessel. The goal of this work is to provide insight into shaping and scaling the flux on each layer to obtain optimized operational and safety metrics through quantification of the responses from each perturbation. Results show that increased first wall thickness can increase the tritium breeding ratio (TBR) in specific configurations with high 6 Li enrichments and that vacuum vessels decrease TBR for low- 6 Li enrichment configurations. It was also found that the neutron multiplier can either increase or decrease TBR depending on the configuration. The response of metrics to the change in layer thickness and enrichment also varies depending on the vacuum vessel material. The integral impacts of 6 Li enrichment, layer thicknesses, and vacuum vessel material choice are investigated and presented in this paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Determinants of cognitive and brain resilience to tau pathology: a longitudinal analysis

Mechanisms of resilience against tau pathology in individuals across the Alzheimer’s disease spectrum are insufficiently understood. Longitudinal data are necessary to reveal which factors relate to preserved cognition (i.e. cognitive resilience) and brain structure (i.e. brain resilience) despite abundant tau pathology, and to clarify whether these associations are cross-sectional or longitudinal. We used a longitudinal study design to investigate the role of several demographic, biological and brain structural factors in yielding cognitive and brain resilience to tau pathology as measured with PET. In this multicentre study, we included 366 amyloid-β-positive individuals with mild cognitive impairment or Alzheimer’s disease dementia with baseline 18 F-flortaucipir-PET and longitudinal cognitive assessments. A subset (n = 200) additionally underwent longitudinal structural MRI. We used linear mixed-effects models with global cognition and cortical thickness as dependent variables to investigate determinants of cognitive resilience and brain resilience, respectively. Models assessed whether age, sex, years of education, APOE-ε4 status, intracranial volume (and cortical thickness for cognitive resilience models) modified the association of tau pathology with cognitive decline or cortical thinning. We found that the association between higher baseline tau-PET levels (quantified in a temporal meta-region of interest) and rate of cognitive decline (measured with repeated Mini-Mental State Examination) was adversely modified by older age (Stβ interaction = -0.062, P = 0.032), higher education level (Stβ interaction = -0.072, P = 0.011) and higher intracranial volume (Stβ interaction = -0.07, P = 0.016). Younger age, higher education and greater cortical thickness were associated with better cognitive performance at baseline. Greater cortical thickness was furthermore associated with slower cognitive decline independent of tau burden. Higher education also modified the negative impact of tau-PET on cortical thinning, while older age was associated with higher baseline cortical thickness and slower rate of cortical thinning independent of tau. Our analyses revealed no (cross-sectional or longitudinal) associations for sex and APOE-ε4 status on cognition and cortical thickness. In this longitudinal study of clinically impaired individuals with underlying Alzheimer’s disease neuropathological changes, we identified education as the most robust determinant of both cognitive and brain resilience against tau pathology. The observed interaction with tau burden on cognitive decline suggests that education may be protective against cognitive decline and brain atrophy at lower levels of tau pathology, with a potential depletion of resilience resources with advancing pathology. Finally, we did not find major contributions of sex to brain nor cognitive resilience, suggesting that previous links between sex and resilience might be mainly driven by cross-sectional differences.

59 BASIC BIOLOGICAL SCIENCES↗

Nodal Admittance Matrix Based Area Partition Method for Small-Signal Stability Analysis of Large-Scale Power Electronics Based Power Systems

In power electronics-based power systems (PEPSs), small-signal stability is an important factor for system design and operation, where the impedance-based approach is often used. However, unlike small-scale PEPSs with simple and straightforward impedance models, it would take much more efforts to derive the large-scale PEPSs impedance model, which is very complicated and sometimes may get wrong results due to the elimination of right-half plane (RHP) poles during the impedance aggregation process. To simplify the derivation procedure and analyze the small-signal stability of large-scale PEPSs, this paper proposes a nodal admittance matrix (NAM) based area partition method. In this method, the large-scale PEPS is divided into several sub-areas, and the stability is analyzed within the sub-area first, and then the interconnection stability among these sub-areas is analyzed. The proposed method is scalable and can help to locate the weakest areas/converters that may cause instability in the whole system. In this paper, the concept of the proposed method and its application to an example system are introduced. Experimental results are also given to validate the effectiveness of the proposed method.

Qiao, Liang↗

Statistically-driven Experimental Design to Improve Reference-free Quantification of Small Molecules by Liquid Chromatography-Mass Spectrometry

Non-targeted analysis of small molecules and metabolites in unknown, complex samples using liquid chromatography-tandem mass spectrometry remains challenging. One of the main bottlenecks is the extensive unannotated regions of metabolomics mass spectrometry data, resulting in knowledge gaps. Small molecule annotation in mass spectrometry data has conventionally relied on reference standards and libraries for compound identification and confirmation, which can constrain compound identification to those molecules already known, thus limiting the ability to discover new knowledge and new markers. Retention time prediction can facilitate and expedite unknown compound identification in non-targeted analysis of complex metabolomics samples. Additionally, accurate retention time predictions can also inform sample mixture design for LC-MS/MS analyses. However, current machine learning-based methods for retention time prediction are typically developed for specific chromatographic platforms and are not generalizable across scales. And while technologies and methods to improve reference-free metabolite identification for more comprehensive annotation of unknowns has received much attention, development of the same for quantitation without reference standards has been much more limited, despite its importance in toxicological, environmental, food safety, forensics, and clinical applications. We believe that a reference-free quantitation strategy that exploits mass spectrometry data already collected for reference-free identification can provide much more insight on unknowns, and move the metabolomics field for more complete unknowns characterization. As such, we pursue two efforts to improve upon current state-of-the-art methods in non-targeted analysis: (1) machine learning-based retention time prediction and (2) statistical design of experiments framework for reference-free quantitation. In this work, we develop and demonstrate (1) a generalizable retention time prediction capability across chromatographic conditions and scales, and (2) a statistical design-based framework for response factor contribution elucidation and reference-free quantitation. Evaluation of our retention time prediction model, PrediToR, showed approximately 24% improvement over current models, and we observed approximately 10X improvement in concentration estimation accuracy from our statistical design-based response factor model over a primarily ionization efficiency-based model. We expect that future efforts to improve upon these new capabilities will further advance non-targeted analysis of small molecules towards truly reference-free metabolomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Develop a Fast Analysis Solver for Welding Sequence Optimization

During the shipbuilding manufacturing process, materials are exposed to significant stresses, as induced both thermally and mechanically, that alter the intended design and significantly affect the production schedule, labor hours (fitting, welding, rework, etc.), and material structural performance. The type and magnitude of deformation of a given structure depends on many factors such as the material, thickness and quality of components, the process heat input, preheat and inter-pass temperatures, type and size of welds, welding sequence and direction, location, sequence, and degree of fixturing. Numerical simulations using finite element analysis (FEA) have long been used to analyze welding-induced structural distortion. For large assemblies, transient thermal elastic-plastic analysis (TEPA) can take days or weeks to run, and optimization of welding sequence is not feasible. Simplified analysis methods were developed to reduce computational time. However, it is challenging to use these techniques to fully optimize welding sequencing because of their applied simplifications in modeling weld details. A fast analysis solver that could be used by the shipbuilding industry is being developed for optimizing welding sequences by taking full advantage of modern GPU-based HPC hardware and incorporating patented acceleration schemes. The accelerated processing factors are up to 2200 times greater for large, multi-pass welded structures.

Yang, Yu-Ping↗

Forecasting the potential of weak lensing magnification to enhance LSST large-scale structure analyses

ABSTRACT Recent works have shown that weak lensing magnification must be included in upcoming large-scale structure analyses, such as for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), to avoid biasing the cosmological results. In this work, we investigate whether including magnification has a positive impact on the precision of the cosmological constraints, as well as being necessary to avoid bias. We forecast this using an LSST mock catalogue and a halo model to calculate the galaxy power spectra. We find that including magnification has little effect on the precision of the cosmological parameter constraints for an LSST galaxy clustering analysis, where the halo model parameters are additionally constrained by the galaxy luminosity function. In particular, we find that for the LSST gold sample (i < 25.3) including weak lensing magnification only improves the galaxy clustering constraint on Ωm by a factor of 1.03, and when using a very deep LSST mock sample (i < 26.5) by a factor of 1.3. Since magnification predominantly contributes to the clustering measurement and provides similar information to that of cosmic shear, this improvement would be reduced for a combined galaxy clustering and shear analysis. We also confirm that not modelling weak lensing magnification will catastrophically bias the cosmological results from LSST. Magnification must therefore be included in LSST large-scale structure analyses even though it does not significantly enhance the precision of the cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

Diverse organic carbon dynamics captured by radiocarbon analysis of distinct compound classes in a grassland soil

Soil organic carbon (SOC) is a large, dynamic reservoir composed of a complex mixture of plant- and microbe-derived compounds with a wide distribution of cycling timescales and mechanisms. The distinct residence times of individual carbon components within this reservoir depend on a combination of factors, including compound reactivity, mineral association, and climate conditions. To better constrain SOC dynamics, bulk radiocarbon measurements are commonly used to trace biosphere inputs into soils and to estimate timescales of SOC cycling. However, understanding the mechanisms driving the persistence of organic compounds in bulk soil requires analyses of SOC pools that can be linked to plant sources and microbial transformation processes. Here, we adapt approaches, previously developed for marine sediments, to isolate organic compound classes from soils for radiocarbon ( 14 C) analysis. We apply these methods to a soil profile from an annual grassland in Hopland, California (USA), to assess changes in SOC persistence with depth (down to 1 m). We measured the radiocarbon values of water-extractable organic carbon (WEOC), total lipid extracts (TLEs), total hydrolyzable amino acids (AAs), and an acid-insoluble (AI) fraction from bulk and physically separated size fractions (< 2 mm, 2 mm–63 µm, and < 63 µm). Our results show that Δ 14 C values of bulk soil, size fractions, and extracted compound classes became more depleted with depth, and individual SOC components have distinct age–depth distributions that suggest distinguishable cycling rates. We found that AAs and TLEs cycle faster than the bulk soils and the AI fraction. The AI was the most 14 C-depleted fraction, indicating that it is the most chemically inert in this soil. Our approach enables the isolation and measurement of SOC fractions that separate functionally distinct SOC pools that can cycle relatively quickly (e.g., plant and microbial residues) from more passive or inert SOC pools (associated with minerals or petrogenic) from bulk soils and soil physical fractions. With the effort to move beyond SOC bulk analysis, we find that compound class 14 C analysis can improve our understanding of SOC cycling and disentangle the physical and chemical factors driving OC cycling rates and persistence.

58 GEOSCIENCES↗