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At least 1,477 records · Page 82

Using an Explainable Machine Learning Approach to Characterize Earth System Model Errors: Application of SHAP Analysis to Modeling Lightning Flash Occurrence

Computational models of the Earth System are critical tools for modern scientific inquiry. Effortstoward evaluating and improving errors in representations of physical and chemical processes inthese large computational systems are commonly stymied by highly nonlinear and complexerror behavior. Recent work has shown that these errors can be effectively predicted usingmodern Artificial Intelligence (A.I.) techniques. In this work, we go beyond these previousstudies to apply an interpretable A.I. technique to not only predict model errors but also movetoward understanding the underlying reasons for successful error prediction. We use XGBoostclassification trees and SHapley Additive exPlanations (SHAP) analysis to explore the errors inthe prediction of lightning occurrence in the NASA GEOS model, a widely used Earth SystemModel. This explainable error prediction system can effectively predict the model error andindicates that the errors are strongly related to convective processes and the characteristics ofthe land surface.

Artificial intelligence↗

Scenario Setup and Forcing Data for Impact Model Evaluation and Impact Attribution Within the Third Round of the Inter-Sectoral Model Intercomparison Project (ISIMIP3a)

This paper describes the rationale and the protocol of the first component of the third simulation round of the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP3a, http://www.isimip.org, last access: 2 November 2023) and the associated set of climate-related and direct human forcing data (CRF and DHF, respectively). The observation-based climate-related forcings for the first time include high-resolution observational climate forcings derived by orographic downscaling, monthly to hourly coastal water levels, and wind fields associated with historical tropical cyclones. The DHFs include land use patterns, population densities, information about water and agricultural management, and fishing intensities. The ISIMIP3a impact model simulations driven by these observation-based climate-related and direct human forcings are designed to test to what degree the impact models can explain observed changes in natural and human systems. In a second set of ISIMIP3a experiments the participating impact models are forced by the same DHFs but a counterfactual set of atmospheric forcings and coastal water levels where observed trends have been removed. These experiments are designed to allow for the attribution of observed changes in natural, human, and managed systems to climate change, rising CH 4 and CO 2 concentrations, and sea level rise according to the definition of the Working Group II contribution to the IPCC AR6.

Inter Sectoral Impact Model Intercomparison Projec↗

Microscale Constitutive Model Sensitivity on Multiscale Modeling of Fiber Reinforced Composites

Fiber reinforced composites are desirable in applications where low weight and high strength are needed, but are susceptible to microscale variability during manufacturing, making failure predictions difficult. The impact microscale variability has on macroscale mechanical response is difficult to predict due to the computational efficiency needed to simulate many, large, high fidelity, microscale models. In this study, a multiscale approach was taken to model 3-point bend, 4-point bend, and tensile experiments of a unidirectional composite from only having microstructure scans of these samples and constituent properties from literature. These scans were sampled with different sized windows, and statistically equivalent microstructures were generated, then simulated for stiffness, strength, and fracture toughness using an efficient micromechanical. Mesoscale models were created where element sizes equaled microstructure size, and properties were assigned through sampling of microscale simulation results. First, this study showed the effect of using Weibull scaling on constituent matrix strength on macroscale response. Then, a comparison was made between different element sizes and experiments. Finally, model dimensions were fixed, and the effect of randomly distributed local properties alone was examined. Results showed that the scatter of strength and stiffness in the experiments could be predicted well using images of the microscale fiber morphologies and that using stochastic properties produced a 3% coefficient of variation of strength for all experiments.

statistical microstructure↗

Low Activation Joining of SiC/SiC Composites for Fusion Applications: Modeling Miniature Torsion Tests with Elastic and Elastic-Plastic Models

The international fusion community designed miniature torsion specimens for joint testing and irradiation in test reactors with limited irradiation volumes since SiC and SiC-composites used in fission or fusion environments require joining methods for assembling systems. Torsion specimens fail out-of-plane when joints are strong and when elastic moduli are comparable to SiC, which causes difficulties in determining shear strengths for many joints or for comparing unirradiated and irradiated joints. A finite element damage model was developed to treat elastic joints such as SiC/Ti3SiC2+SiC and elastic-plastic joints such as SiC/epoxy and steel/epoxy. The model uses constitutive shear data and is validated using epoxy joint data. The elastic model indicates fracture is likely to occur within the joined pieces to cause out-of-plane failures for miniature torsion specimens when a certain modulus and strength ratio between the joint material and the joined material exists. Lower modulus epoxy joints always fail in plane and provide good model validation.

Damage Mechanics↗

Golden Eagle Behavioral Modeling Enabled by High-Fidelity Atmospheric Models

The DOE-funded Golden Eagle Behavioral Modeling project combines knowledge of eagle behavior, eagle telemetry data, high-fidelity atmospheric and wind power plant flow models, and machine learning to develop tools that predict behavior and risk around wind power plants. This presentation provides background on the project and modeling approaches, as well as recent modeling and validation results from the region around the Top of the World wind plant in Wyoming.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

Recent Improvements in PV+Battery Modeling in NREL's System Advisor Model

This poster covers recent updates to the NREL System Advisor Model's battery model that can be coupled to the PV model to add value to both front of meter and behind the meter systems. Topics include new dispatch algorithms focusing on smoothing the output of a PV plant to meet ramp rate requirements and responding to price signals to maximize system revenue, validated battery lifetime models, grid outage simulations and resiliency metrics, and the new levelized cost of storage (LCOS) metric. We will also share preliminary results from NREL analysis projects using these features.

battery↗

Evaluation of a Reduced-Order Model for IBR Fault Response Representation via OEM Blackbox Models: Preprint

Driven by the need to capture the electromagnetic transients of transmission lines, inverter switching behavior, and detailed control systems, electromagnetic transient (EMT) studies have become increasingly important in industry, such as IBR interconnection study and fault study. However, original equipment manufacturer (OEM) inverter models typically include extensive parameters and proprietary settings that are unavailable to protection engineers. This paper introduces a data-driven, reduced-order model (ROM) developed as a PSCAD library component for use in EMT-based fault studies. The ROM replicates key OEM model behaviors without requiring detailed knowledge of control design or parameterization. The accompanying Python automation scripts streamline data generation, parameter fitting, and validation. The ROM's performance is demonstrated through comparison with both IEEE 2800-compliant and non-compliant OEM models in a real-world power system. Relay responses show nearly identical results, while simulation runtime is reduced by an average of 32.8\%, highlighting the ROM's practicality for protection engineers.

14 SOLAR ENERGY↗

Improved Plate and Beam Models for Thermoviscoelastic Constitutive Modeling of Composites

The effective properties of composites are influenced by the time-dependent behavior of polymer matrices very sensitive to changes in temperature. Improved plate and beam models are required to efficiently design, and simulate composite structures when the long-term performance of large anisotropic composite structures is the matter of interest. In this work, mechanics of structure genome (MSG) is used to con-struct linear thermoviscoelastic plate and beam models that can homogenize three-dimensional heterogeneous materials made of constituents with time- and temperature-dependent behavior. The formulation derives the transient strain energy based on integral formulation for thermorheologically simple materials subject to finite temperature changes with the restriction that the strain is small. The reduced time parameter is introduced to relate the time-temperature dependency of the anisotropic material by means of master curves at reference conditions. The new formulation has been implemented in SwiftCompTM, a general-purpose multiscale constitutive modeling code based on MSG. Experimental data and three-dimensional direct numerical simulations of thin-ply high-strain composites (TP-HSC) using a commercial finite element analysis (FEA) package are conducted to verify the accuracy of SwiftCompTM results. The paper also analyzes the relationship between the shift factor of the polymer matrix and the temperature dependencies of the effective beam properties.

Finite element analysis↗

Cloud-resolving model intercomparison of an MC3E squall line case: Part I-Convective updrafts: CRM Intercomparison of a Squall Line

A constrained model intercomparison study of a mid-latitude mesoscale squall line is performed using the Weather Research & Forecasting (WRF) model at 1-km horizontal grid spacing with eight cloud microphysics schemes, to understand specific processes that lead to the large spread of simulated cloud and precipitation at cloud-resolving scales, with a focus of this paper on convective cores. Various observational data are employed to evaluate the baseline simulations. All simulations tend to produce a wider convective area than observed, but a much narrower stratiform area, with most bulk schemes overpredicting radar reflectivity. The magnitudes of the virtual potential temperature drop, pressure rise, and the peak wind speed associated with the passage of the gust front are significantly smaller compared with the observations, suggesting simulated cool pools are weaker. Simulations also overestimate the vertical velocity and Ze in convective cores as compared with observational retrievals. The modeled updraft velocity and precipitation have a significant spread across the eight schemes even in this strongly dynamically-driven system. The spread of updraft velocity is attributed to the combined effects of the low-level perturbation pressure gradient determined by cold pool intensity and buoyancy that is not necessarily well correlated to differences in latent heating among the simulations. Variability of updraft velocity between schemes is also related to differences in ice-related parameterizations, whereas precipitation variability increases in no-ice simulations because of scheme differences in collision-coalescence parameterizations.

Fan, Jiwen↗

Ecosystem Controls on Methylmercury Production by Periphyton Biofilms in a Contaminated Stream: Implications for Predictive Modeling

Periphyton biofilms produce a substantial fraction of the overall monomethylmercury (MMHg) flux in East Fork Poplar Creek, an industrially contaminated, freshwater creek in Oak Ridge, Tennessee. We examined periphyton MMHg production across seasons, locations, and light conditions using mercury stable isotopes. Methylation and demethylation rate potentials (km, trans av and kd, trans av, respectively) were calculated using a transient availability kinetic model. Light exposure and season were significant predictors of km, trans av, with greater values in full light exposure and in the summer. Season, light exposure, and location were significant predictors of kd, trans av, which was highest in dark conditions, in the spring, and at the upstream location. Light exposure was the controlling factor for net MMHg production, with positive production for periphyton grown under full light exposure and net demethylation for periphyton grown in the dark. Ambient MMHg and km, trans av were significantly correlated. Transient availability rate potentials were 15 times higher for km and 9 times higher for kd compared to full availability rate potentials (km, full av and kd, full av) calculated at 1 d. No significant model for the prediction of km, full av or kd, full av could be constructed using light, season, and location. In addition, there were no significant differences among treatments for the full availability km, full av, kd, full av, or net MMHg calculated using the full availability rate potentials. km, full av was not correlated with ambient MMHg concentrations. The present results underscore the importance of applying transient availability kinetics to MMHg production data when estimating MMHg production potential and flux.

Schwartz, Grace E.↗

Quantitative Systems Pharmacology Models for a New International Cardiac Safety Regulatory Paradigm: An Overview of the Comprehensive In Vitro Proarrhythmia Assay In Silico Modeling Approach

As a relatively new discipline, quantitative systems pharmacology has seen a significant increase in the application and utility of drug development. One area that could greatly benefit from such an approach is in the proarrhythmia assessment of new drugs. The Comprehensive In Vitro Proarrhythmia Assay (CiPA) Initiative is a global public–private partnership project that has developed an integrated approach using mechanistic in silico models for proarrhythmia risk prediction. Progress to date has led to the formation of the International Council on Harmonisation Implementation Working Group to revise regulatory guidelines via the Questions-and-Answers process to address the best practices for proarrhythmia models and how they can impact clinical drug development. This article reviews the CiPA in silico model-development process, focusing on its unique development and validation strategy, and summarizes the lessons learned as consideration points for the ongoing implementation of CiPA-like in silico models in drug development.

60 APPLIED LIFE SCIENCES↗

Search for the Standard Model Higgs boson produced by vector-boson fusion and decaying to bottom quarks in $ \sqrt{s}=8 $ TeV pp collisions with the ATLAS detector

A search with the ATLAS detector is presented for the Standard Model Higgs boson produced by vector-boson fusion and decaying to a pair of bottom quarks, using 20.2 fb -1 of LHC proton-proton collision data at √s=8 TeV. The signal is searched for as a resonance in the invariant mass distribution of a pair of jets containing b-hadrons in vector-boson-fusion candidate events. The yield is measured to be -0.8 ± 2.3 times the Standard Model cross-section for a Higgs boson mass of 125 GeV. The upper limit on the cross-section times the branching ratio is found to be 4.4 times the Standard Model cross-section at the 95% confidence level, consistent with the expected limit value of 5.4 (5.7) in the background-only (Standard Model production) hypothesis.[Figure not available: see fulltext.]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Ghent Hybrid model in NuWro: a new neutrino single-pion production model in the GeV regime

Neutrino-induced single-pion production constitutes an essential interaction channel in modern neutrino oscillation experiments, with its products building up a significant fraction of the observable hadronic final states. Frameworks of oscillation analyses strongly rely on Monte Carlo neutrino event generators, which provide theoretical predictions of neutrino interactions on nuclear targets. Thus, it is crucial to integrate state-of-the-art single-pion production models with Monte Carlo simulations to prepare for the upcoming systematics-dominated landscape of neutrino measurements. In this work, we present the implementation of the Ghent Hybrid model for neutrino-induced single-pion production in the NuWro Monte Carlo event generator. The interaction dynamics includes coherently-added contributions from nucleon resonances and a non-resonant background, merged into the pythia branching predictions in the deep-inelastic regime, as instrumented by NuWro. This neutrino-nucleon interaction model is fully incorporated into the nuclear framework of the generator, allowing it to account for the influence of both initial- and final-state nuclear medium effects. We compare the predictions of this integrated implementation with recent pion production data from accelerator-based neutrino experiments. The results of the novel model show improved agreement of the generator predictions with the data and point to the significance of the refined treatment of the description of pion-production processes beyond the ∆ region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Modeling of Impact Ionization and Charge Trapping in SuperCDMS HVeV Detectors

A model for charge trapping and impact ionization, and an experiment to measure these parameters is presented for the SuperCDMS HVeV detector. A procedure to isolate and quantify the main sources of noise (bulk and surface charge leakage) in the measurements is also describe. This sets the stage to precisely measure the charge trapping and impact ionization probabilities in order to incorporate this model into future dark matter searches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High Order Accurate Finite Difference Modeling of Seismo-Acoustic Wave Propagation in a Moving Atmosphere and a Heterogeneous Earth Model Coupled Across a Realistic Topography

Here, we develop a numerical method for simultaneously simulating acoustic waves in a realistic moving atmosphere and seismic waves in a heterogeneous earth model, where the motions are coupled across a realistic topography. We model acoustic wave propagation by solving the linearized Euler equations of compressible fluid mechanics. The seismic waves are modeled by the elastic wave equation in a heterogeneous anisotropic material. The motion is coupled by imposing continuity of normal velocity and normal stresses across the topographic interface. Realistic topography is resolved on a curvilinear grid that follows the interface. The governing equations are discretized using high order accurate finite difference methods that satisfy the principle of summation by parts. We apply the energy method to derive the discrete interface conditions and to show that the coupled discretization is stable. The implementation is verified by numerical experiments, and we demonstrate a simulation of coupled wave propagation in a windy atmosphere and a realistic earth model with non-planar topography.

58 GEOSCIENCES↗

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multizone Reaction Kinetics: Modeling of Manganese Removal

In the earlier study, a dynamic model for the BOF process based on the multizone reaction kinetics has been developed. In the preceding part, the mechanism of manganese transfer in three reactive zones of the converter has been analyzed. The study predicts that temperature at the slag–metal reaction interface plays a major role in the Mn reaction kinetics. Further, mathematical treatments to simulate the transient rate parameters associated with each reaction interface have been developed. The model calculations of Mn removal rate obtained from different zones of the converter predicts that the first stage of the blow is dominated by the oxidation of Mn at the jet impact zone, albeit some additional Mn refining has been observed as a result of the oxidation of metal droplets in emulsion phase. The simulation result shows that the reversion of Mn from slag to metal primarily takes place at the metal droplet in the emulsion due to an increase in slag–metal interface temperature during the middle stage of blowing. In the final stage of the blow, the competition between simultaneous reactions in jet impact and emulsion zone controls the direction of mass flow of manganese. Further, the model prediction shows that the Mn refining in the emulsion is a strong function of droplet diameter and the residence time. Smaller sized droplets approach equilibrium quickly and thus contribute to a significant Mn conversion between slag and metal compared to the larger sized ones. The overall model prediction for Mn in the hot metal has been found to be in good agreement with two data sets obtained from different size converters reported in the literature.

36 MATERIALS SCIENCE↗