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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,423 records · Page 79

Parton labeling without matching: unveiling emergent labelling capabilities in regression models

Parton labeling methods are widely used when reconstructing collider events with top quarks or other massive particles. State-of-the-art techniques are based on machine learning and require training data with events that have been matched using simulations with truth information. In nature, there is no unique matching between partons and final state objects due to the properties of the strong force and due to acceptance effects. We propose a new approach to parton labeling that circumvents these challenges by recycling regression models. The final state objects that are most relevant for a regression model to predict the properties of a particular top quark are assigned to said parent particle without having any parton-matched training data. This approach is demonstrated using simulated events with top quarks and outperforms the widely used $χ$ 2 method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

WOMBAT (Windfarm Operations and Maintenance cost-Benefit Analysis Tool) WISDEM® [SWR-21-68]

The windfarm operations and maintenance cost-benefit analysis tool (WOMBAT) is software to simulate the operations and maintenance phase of either onshore or offshore windfarms. WOMBAT is a medium-fidelity tool that is designed to model turbine, cable, and substation failures at the subassembly level, but is flexible enough that individual component or asset-level modeling can also be performed. WOMBAT enables users to model technological improvements, the use of a wide range of service equipment from drone repairs and remote resets to heavy lift vessels and crawler cranes, to analyze cost trends with varying trade-offs in conjunction with energy production, availability and a growing range of metrics. This library provides a tool to simulate the operation and maintenance phase (O&M) of distributed, land-based, and offshore windfarms using a discrete event simulation framework. WOMBAT is written around the SimPy discrete event simulation framework. Additionally, this is supported using a flexible and modular object-oriented code base, which enables the modeling of arbitrarily large (or small) windfarms with as many or as few failure and maintenance tasks that can be encoded. Please note that this is still heavily under development, so you may find some functionality to be incomplete at the current moment, but rest assured the functionality is expanding. With that said, it would be greatly appreciated for issues or PRs to be submitted for any improvements at all, from fixing typos (guaranteed to be a few) to features to testing. Also available at: https://pypi.org/project/wombat/

Cooperman, Aubryn↗

Combustion energy frontier research center (CEFRC) final report (August 1, 2009 – July 31, 2016)

The Combustion Energy Frontier Research Center (CEFRC) was established to tackle the single overarching grand challenge of energy sustainability, energy security and global warming: to develop a “validated, predictive, multi-scale, combustion modeling capability to optimize the design and operation of evolving fuels in advanced engines for transportation applications,” as identified in the DOE report on “Basic Energy Needs for Clean and Efficient Combustion of 21st Century Transportation Fuels”. The challenge is particularly daunting since energy conversion efficiencies and exhaust emissions are governed by coupled chemical and transport processes at multiple length scales ranging from electron excitation to molecular rearrangements to nanoscale particulate formation to turbulent fuel/air mixing. To tackle this challenge, the CEFRC assembled a world-class team of 15 principal investigators, with the objectives to: 1) develop and test theoretical models to predict elementary reaction rates, molecule thermalization rates, chemical bond dissociation energies, and nonequilibrium transport properties using quantum chemistry calculations that account for strong electron correlation and multiple electronic potential energy surfaces; 2) develop automated kinetic mechanism generation, reduction, and error control methods for predicting alternative fuel including biofuel oxidation, fuel droplet decomposition, and NOx and particulate formation; 3) validate and improve the predictions of these models by measuring ignition delay times, species profiles, flame structures, burning limits, turbulence-kinetic coupling, and NOx and soot emissions at high-pressures and near-limit conditions, by using advanced experimental diagnostic techniques including multiple laser techniques, molecular beam sampling and synchrotron photoionization, and by conducting the measurements in high-pressure shock tubes, jet-stirred and flow reactors, flame bombs, counterflow flames, and advanced-design rapid compression ignition instruments; and 4) develop a suite of validated petascale high-fidelity simulation and modeling capabilities to understand and predict chemistry-turbulence-radiation coupling for new fuels in new regimes, including the high pressure, low-temperature combustion in advanced engine and turbine designs, and 5) establish a knowledge highway between researchers and engineers in academia, national laboratories, and industry to facilitate the dissemination and exchange of knowledge on national and international levels, and enrich the talent pool and capabilities of the next generation of combustion scientists and engineers. The technical activities of the CEFRC were conducted through three Disciplinary Working Groups – Chemistry Theory, Experiment and Mechanism, and Reacting Flows, which coordinated the Center’s research on the development of combustion chemistry of Foundation Fuels (C0–C4 hydrocarbons), Alcohols, and Biodiesel through three corresponding Mechanism Thrust Groups. Such a two-dimensional coordinated and tightly interwoven research structure has been proven to be highly effective in assuring the interplay between the developments of the fundamentals of combustion science and the utilization of the various categories of fuels. The Center has accomplished the above goals over the five year period (August 1, 2009 – July 31, 2014) with appropriated funding, followed by two additional no-cost-extension (NCE) years. The research results are documented in 230 journal publications, with six legacy review papers on the study of combustion chemistry using shock tubes, flow reactors, rapid compression machines, and flames, on uncertainty quantification, and on theoretical reaction dynamics and chemical modeling of combustion. A robust outreach program complemented these PI-led research activities, consisting of: 1) a roving post-doc program comprised of a corps of Center-appointed, co- or multi-sponsored post-doctoral fellows with rotating assignments to conduct seed projects initiated by at least two PIs, in residence with these sponsoring PIs, to rapidly pursue new and high-risk, high-payoff interdisciplinary ideas; 2) an annual summer school on combustion heavily attended (~200) by senior graduate students and practicing researchers covering advanced topics on chemical kinetics, fluid mechanics, turbulent combustion, engine combustion, new technologies, etc.; 3) a robust open web-site providing Center and community information as well as the lecture videos and notes of the summer school; and 4) widely distributed biannual newsletters.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Impact of Advanced Vehicle Technologies on Energy Consumption for the City of Detroit Using Transportation System Simulations

In developing a transportation system model, the energy impact of the model is extremely important for sustainability and validation. One approach to evaluating the energy impact is to consider the amount of fuel consumed by transportation in the model for different scenarios and technologies. Argonne National Laboratory has collaborated with the Southeast Michigan Council of Governments (SEMCOG) and the Detroit Department of Transportation to develop and validate a transportation system model for Southeast Michigan, focusing on the city of Detroit. The objective of this paper is to analyze the vehicle energy consumption in the Detroit Transportation System model. The focus is on evaluating the SEMCOG road network drive cycles as performed with current and future vehicle technologies.

Islam, Ehsan↗

Piston geometry effects in a light-duty, swirl-supported diesel engine: Flow structure characterization

This work studied how in-cylinder flow structure is affected in a light-duty, swirl-supported diesel engine when equipped with three different piston geometries: the first two featuring a conventional re-entrant bowl, either with or without valve cut-outs on the piston surface and the third featuring a stepped-lip bowl. Particle image velocimetry experiments were conducted inside an optical engine to measure swirl vortex intensity and structure during the intake and compression strokes. A full computational model of the optical diesel engine was built using the FRESCO code, a recently developed object-oriented parallel computational fluid dynamics platform for engine simulations. The model was first validated against the measured swirl-plane velocity fields, and the simulation convergence for multiple cycles was assessed. Flow topology was studied by addressing bulk flow and turbulence quantities, including swirl structure, squish flux, plus geometric and operating parameters, such as the presence of valve cut-outs on the piston surface, compression ratio and engine speed. The results demonstrated that conventional re-entrant bowls have stronger flow separation at intake, hampering bowl swirl, but higher global swirl than for stepped-lip bowls thanks to a stronger and more axisymmetric squish mechanism and less tilted swirl. Stepped-lip bowls have larger inhomogeneities (tilt and axisymmetry) and higher turbulence levels, but also faster turbulence dissipation toward top dead center. They have weaker squish flux but larger squish inversion momentum as a result of the smaller inertia.

Perini, Federico↗

Optimizing fluvial flood mitigation strategies: A multi-objective approach for cost-effective and socially-aware infrastructure feasibility analysis

Effective levee planning must balance capital cost, risk reduction, and community priorities. These objectives are rarely optimized together. This study presents a feasibility phase, simulationin-the-loop framework that couples terrain-based flood modeling with a socially aware multiobjective optimizer. Flood risk is measured as Expected Annual Exposed Population (EAEP), obtained by integrating exposure over Annual Exceedance Probability (AEP) nodes, mirroring the Hydrologic Engineering Center's Flood Damage Reduction Analysis (HEC-FDA) expected-annual formulation but with people rather than dollars. Exposure per scenario is computed by overlaying binary inundation masks with a population surface at the tract level. Distributional fairness is encoded through a Group Benefit Share (GBS) constraint that requires high-SVI tracts to receive at least a baseline share of annualized benefits. Capital cost is represented by a height-dependent unit-cost model suitable for screening. This study addresses the two-objective problem, minimize cost and expected annual exposure subject to the GBS constraint, using Non-Dominated Sorting Genetic Algorithm II (NSGA-II) and leveraging Pareto front for feasibility phase decision making. Implemented with terrain-based flood modeling, GeoFlood, for rapid scenario evaluation, the framework is demonstrated in Southeast Texas. The results reveal clear trade-offs among cost, risk, and social benefits and identify non-dominated levee height configurations that satisfy the benefit-share floor. The contributions are a scalable decision support method that operationalizes expected annual population-based risk, embeds enforceable benefit-sharing guarantees, and uses lightweight simulation to explore large design spaces before higher fidelity design stages.

Flood mitigation↗

Uses of Multi-Objective Flux Analysis for Optimization of Microbial Production of Secondary Metabolites

Secondary metabolites are not essential for the growth of microorganisms, but they play a critical role in how microbes interact with their surroundings. In addition to this important ecological role, secondary metabolites also have a variety of agricultural, medicinal, and industrial uses, and thus the examination of secondary metabolism of plants and microbes is a growing scientific field. While the chemical production of certain secondary metabolites is possible, industrial-scale microbial production is a green and economically attractive alternative. This is even more true, given the advances in bioengineering that allow us to alter the workings of microbes in order to increase their production of compounds of interest. This type of engineering requires detailed knowledge of the “chassis” organism’s metabolism. Since the resources and the catalytic capacity of enzymes in microbes is finite, it is important to examine the tradeoffs between various bioprocesses in an engineered system and alter its working in a manner that minimally perturbs the robustness of the system while allowing for the maximum production of a product of interest. The in silico multi-objective analysis of metabolism using genome-scale models is an ideal method for such examinations.

59 BASIC BIOLOGICAL SCIENCES↗

Kepler Data Analysis: Non-Gaussian Noise and Fourier Gaussian Process Analysis of Stellar Variability

We develop a statistical analysis model of Kepler stellar flux data in the presence of planet transits, non-Gaussian noise, and stellar variability. We first develop a model for the Kepler noise probability distribution in the presence of outliers, which make the noise probability distribution non-Gaussian. We develop a signal likelihood analysis based on this probability distribution, in which we model the signal as a sum of the star variability and planetary transits. We argue that these components need to be modeled together if optimal signal is to be extracted from the data. For the stellar variability model we develop an optimal Gaussian process analysis using a Fourier-based Wiener filter approach, where the power spectrum is non-parametric and learned from the data. We develop high dimensional optimization of the objective function, where we jointly optimize all the model parameters, including thousands of star variability modes, and planet transit parameters. We apply the method to Kepler-90 data and show that it gives a better match to the stellar variability than the existing methods, and robustly handles noise outliers. As a consequence, the planet radii have a higher value than what the existing methods give, including splines and celerite.

79 ASTRONOMY AND ASTROPHYSICS↗

Robust statistical reconstruction for charged particle tomography

Systems and methods for charged particle detection including statistical reconstruction of object volume scattering density profiles from charged particle tomographic data to determine the probability distribution of charged particle scattering using a statistical multiple scattering model and determine a substantially maximum likelihood estimate of object volume scattering density using expectation maximization (ML/EM) algorithm to reconstruct the object volume scattering density. The presence of and/or type of object occupying the volume of interest can be identified from the reconstructed volume scattering density profile. The charged particle tomographic data can be cosmic ray muon tomographic data from a muon tracker for scanning packages, containers, vehicles or cargo. The method can be implemented using a computer program which is executable on a computer.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A New Analytic-Adaptive Model for EGS Assessment, Development and Management Support

To increase understanding of the energy extraction capacity of Enhanced Geothermal System(s) (EGS), a numerical model development and application project is completed. The general objective of the project is to develop and apply a new, data-coupled Thermal-Hydrological-Mechanical-Chemical (T-H-M-C) model in which the four internal components can be freely selected from existing simulation software without merging and cross-combining a diverse set of computational codes. Eight tasks are completed during the project period. The results are reported in five publications, an MS thesis, twelve quarterly, and two annual reports to DOE. Two US patents have also been issued during the project period, with one patent application originated prior to the start of the project. The “Multiphase Physical Transport Modeling Method and Modeling System” (U.S. Patent 8,396,693 B2, 2013), a key element in the GHE sub-model solution, is successfully used for EGS studies. The “Geothermal Energy Extraction System and Method" invention (U.S. Patent 8,430,166 B2, 2013) originates from the time of project performance, describing a new fluid flow control solution. The new, coupled T-H-M-C numerical model will help analyzing and designing new, efficient EGS systems.

15 GEOTHERMAL ENERGY↗

A New Analytic-Adaptive Model for EGS Assessment, Development and Management Support

To increase understanding of the energy extraction capacity of Enhanced Geothermal System(s) (EGS), a numerical model development and application project is completed. The general objective of the project is to develop and apply a new, data-coupled Thermal-Hydrological-Mechanical-Chemical (T-H-M-C) model in which the four internal components can be freely selected from existing simulation software without merging and cross-combining a diverse set of computational codes. Eight tasks are completed during the project period. The results are reported in five publications, an MS thesis, twelve quarterly, and two annual reports to DOE. Two US patents have also been issued during the project period, with one patent application originated prior to the start of the project. The “Multiphase Physical Transport Modeling Method and Modeling System” (U.S. Patent 8,396,693 B2, 2013), a key element in the GHE sub-model solution, is successfully used for EGS studies. The “Geothermal Energy Extraction System and Method" invention (U.S. Patent 8,430,166 B2, 2013) originates from the time of project performance, describing a new fluid flow control solution. The new, coupled T-H-M-C numerical model will help analyzing and designing new, efficient EGS systems.

15 GEOTHERMAL ENERGY↗

River Devices to Recover Energy with Advanced Materials: River DREAM

The purpose of this project is to develop a generator called a Galloping Hydroelectric Energy Extraction Device (GHEED). It uses a galloping prism to convert water flow into linear motion. This motion is converted into electricity via a dielectric elastomer generator (DEG). The galloping mechanism and the DEG are combined to create a system to effectively generate electricity. This project has three research objectives: 1. Oscillator development and design a. Characterize galloping behavior, evaluate control surface shape change on oscillator performance and demonstrate shape change with water flow change. 2. Dielectric Energy Generator (DEG) characterization and modeling a. Characterize and model the performance of the DEG based on oscillator design 3. Galloping Hydroelectric Energy Extraction Device (GHEED) system modeling and integration a. Create numerical models for construction of a system performance model and define operating capabilities for this approach Accomplishing these three objectives will result in the creation of a model that can be used to fully define the operating parameters and performance capabilities of a generator based on the GHEED design. This information will be used in the next phase of product development, the creation of an integrated laboratory scale generator to confirm model predictions.

16 TIDAL AND WAVE POWER↗

Predictive LES Modeling and Validation of High-Pressure Turbulent Flames and Flashback in Hydrogen-enriched Gas Turbines

The overall objective of this project is to make advances in large-eddy simulation modeling of swirl-flame flashback at elevated pressure, where the reactants can be premixed or stratified, and composed of methane enriched with hydrogen. The modeling effort was conducted with a companion experimental validation effort that focused on high-speed measurements of flashback in a model swirl-flame combustor. The modeling effort focused on the development of manifold-based combustion model for flashback simulations. The main complexity in this configuration comes from the flames’ propagation through a stratified fuel-air mixture along with heat loss near the walls. For this purpose, a non-adiabatic flamelet model was developed and tested using canonical flow configurations. Further, extensive validation in premixed configurations is used to establish the model’s accuracy in capturing heat loss and flame propagation. Finally, the model was tested using the UT flame flashback experiment, and was shown to accurately capture the flame flashback process. The end products from this work are a) a full validated flameout-based approach for modeling flame flashback; b) a complete implementation of the model in the open source OpenFOAM framework, which has been made available to both industry and academia; c) an extensive suite of validation studies performed using the OpenFOAM solver. In addition, new techniques for flame modeling, subfilter modeling of scalars, and simulation of low Mach number flows were developed and tested. In the experimental validation effort, flashback was studied in a premixed and stratified swirl flame by using high-speed imaging diagnostics. Fuels tested included CH 4 enriched with H 2 , with H 2 enrichment up to 84% by volume. These flashback experiments are conducted at pressures ranging from 1 to 5 atm. A swirler-based fuel-injection system was used to create the fuel-air stratification in the radial direction. For the high-pressure measurements, an optically accessible elevated pressure chamber was used. The spatial distribution of the equivalence ratio under non-reacting conditions was characterized using planar laser-induced fluorescence with acetone as the fuel tracer. It was observed that fuel-air pockets were distributed across the mixing tube width, although in an average sense, the fuel-air mixture was radially stratified. The global behavior of upstream flame propagation was investigated for different levels of hydrogen-enrichment. For stratified hydrogen-rich flashback, the propagation path of the flame changed from the inner wall to outer wall, which was induced by the faster chemistry of stoichiometric mixtures that are frequently present near the outer wall. This behavior of hydrogen-rich flashback persists even at elevated pressures up to 5 atm, although the propagation of the flame occurs as a wide flame tongue as opposed to the acute-tipped flame structures present in the atmospheric cases. The end product of the experimental effort is greatly improved knowledge of flashback physics and a unique database that can be used for model validation.

08 HYDROGEN↗

Design Paradigm for Modular Multilevel Converter-Based Generator Rectifier Systems

Modular Multilevel Converters (MMC) are being widely considered for medium to high voltage DC applications. Designing such converters through multi-objective optimization is of interest because such an approach allows the trade-off between competing objectives (for example mass and loss) to be explicitly and quantitatively identified. In this work, an optimization based design paradigm for MMC based generator rectifier systems is proposed. Such development typically requires detailed component design and simulation models for the electric machine and converter which are computationally expensive. As an alternative, the proposed work utilizes an electric machine metamodel, inductor metamodel, and high-speed steady-state simulation model for the MMC to facilitate multi-objective optimization minimizing system metrics of interest while satisfying system constraints. A case study is undertaken to demonstrate the functionality of the proposed design paradigm.

42 ENGINEERING↗

System Design, Analysis, and Modeling Activities Supporting the DOE Hydrogen Storage Engineering Center of Excellence (HSECoE): Final Project Report

The objective of this project was to identify optimal pathways for successful hydrogen storage system technology through modeling, analysis, and testing support. The National Renewable Energy Laboratory (1) performed vehicle simulations of various system configurations to support the overall systems engineering, (2) led the storage system energy analysis and provided the Hydrogen Storage Engineering Center of Excellence (HSECoE) with results to help guide engineering design, and (3) compiled and obtained media engineering properties for the HSECoE.

30 DIRECT ENERGY CONVERSION↗

MAIN-SEQUENCE STARS MASQUERADING AS YOUNG STELLAR OBJECTS IN THE CENTRAL MOLECULAR ZONE

In contrast to most other galaxies, star formation rates in the Milky Way can be estimated directly from young stellar objects (YSOs). In the central molecular zone the star formation rate calculated from the number of YSOs with 24 μm emission is up to an order of magnitude higher than the value estimated from methods based on diffuse emission (such as free-free emission). Whether this effect is real or whether it indicates problems with either or both star formation rate measures is not currently known. In this paper, we investigate whether estimates based on YSOs could be heavily contaminated by more evolved objects such as main-sequence stars. We present radiative transfer models of YSOs and of main-sequence stars in a constant ambient medium which show that the main-sequence objects can indeed mimic YSOs at 24 μm. However, we show that in some cases the main-sequence models can be marginally resolved at 24 μm, whereas the YSO models are always unresolved. Based on the fraction of resolved MIPS 24 μm sources in the sample of YSOs previously used to compute the star formation rate, we estimate the fraction of misclassified ''YSOs'' to be at least 63%, which suggests that the star formation rate previously determined from YSOs is likely to be at least a factor of three too high.

79 ASTRONOMY AND ASTROPHYSICS↗

Maven: a multimodal foundation model for supernova science

Abstract A common setting in astronomy is the availability of a small number of high-quality observations, and larger amounts of either lower-quality observations or synthetic data from simplified models. Time-domain astrophysics is a canonical example of this imbalance, with the number of supernovae observed photometrically outpacing the number observed spectroscopically by multiple orders of magnitude. At the same time, no data-driven models exist to understand these photometric and spectroscopic observables in a common context. Contrastive learning objectives, which have grown in popularity for aligning distinct data modalities in a shared embedding space, provide a potential solution to extract information from these modalities. We present Maven, the first foundation model for supernova science. To construct Maven, we first pre-train our model to align photometry and spectroscopy from 0.5 M synthetic supernovae using a contrastive objective. We then fine-tune the model on 4702 observed supernovae from the Zwicky transient facility. Maven reaches state-of-the-art performance on both classification and redshift estimation, despite the embeddings not being explicitly optimized for these tasks. Through ablation studies, we show that pre-training with synthetic data improves overall performance. In the upcoming era of the Vera C. Rubin observatory, Maven will serve as a valuable tool for leveraging large, unlabeled and multimodal time-domain datasets.

Zhang, Gemma (ORCID:0000000280198082)↗