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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Prediction of PbLi fluid flow and temperature field in a thermal convection loop for qualification of fusion materials

Two modeling tools, a thermohydraulics code and a computational model in COMSOL Multiphysics, have been developed, tested and then applied to the analysis of fluid flow and heat transfer in a thermal convection loop (TCL). Such a device has recently been used to experimentally evaluate corrosion compatibility of APMT (Fe–21Cr–5Al–3Mo) steel with high-temperature molten eutectic lead-lithium (PbLi) alloy at Oak Ridge National Lab, TN, USA. Here, the 1-D thermohydraulics code allows for rapid calculations of the loop parameters as a function of the applied heat flux. The supplemental COMSOL finite-element computations provide detailed 3-D velocity and temperature field data but are much more time consuming. Both modelling tools demonstrate an excellent agreement in the computed circulation velocity as well as maximum and minimum temperatures. The performed TCL analysis focuses on flow development in the “hot” and “cold” legs, formation of Dean vortices in corner regions, blocking effect of the immersed samples, and radiative and convective cooling effects under the experiment-relevant conditions for Prandtl number Pr = 0.015, Grashof numbers Gr ~10 7 , and Reynolds numbers Re ~10 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sub-Ångström-resolution MicroED Using a Direct Detection Camera

The recent development of microcrystal electron diffraction (MicroED) in electron cryo-microscopy (cryo-EM) has addressed many of the challenges of X-ray crystallography [1], filling a long-standing need in organic chemistry for rapid and accurate high-resolution structural characterization [2]. Like X-ray crystallography, this is also a diffraction technique requiring crystalline specimens, but because high energy electrons have a more favorable ration of elastic to inelastic scattering [3], MicroED can acquire data using crystals that are orders of magnitude smaller than those needed for X-ray crystallography—even as small as 50 nm in length [4]. Additionally, the instrumentation required for MicroED is readily available, as many chemistry and biology labs already have access to cryo-capable transmission electron microscopes (TEM).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Measurement of the Deeply Virtual Compton Scattering Cross Section from the Proton at 10.6 GeV using the CLAS12 Detector

Deeply Virtual Compton Scattering (DVCS) is an exclusive process that produces a real photon when a lepton scatters from a quark inside a nucleon or a nucleus. Measurement of the DVCS cross section enables the study of the Generalized Parton Distributions (GPD), which plays a central role in understanding the QCD dynamics inside a hadron. Thus, the quark and gluon origin of the nucleon spin and mass can be probed and three-dimensional images of the target nucleon or nucleus can be realized. This thesis presents a cross section analysis of DVCS from the proton in the presence of its background, Bethe-Heitler (BH) process. The CEBAF Large Acceptance Spectrometer for operation at 12 GeV beam energy (CLAS12) collaboration has taken electron-proton scattering data in fall 2018 using a liquid hydrogen target and the 10.6 GeV polarized electron beam from the Continuous Electron Beam Accelerator Facility (CEBAF). The CLAS12 detector is a nearly hermetic fixed-target detector, located in Hall B, Jefferson Lab at Newport News, Virginia. The experimentally determined BH-DVCS cross section is in good agreement with a phenomenological-model based theoretical prediction. The kinematic dependence of the cross section is reported over a wide range. The short-term plan to utilize the results presented here for a thorough tomography study and the long-term plan for GPD studies at future facilities such as the Electron-Ion Collider (EIC) are discussed.

Lee, Sangbaek↗
DOE OSTI2025

Bayesian learning with Gaussian processes for low-dimensional representations of time-dependent nonlinear systems

This work presents a data-driven method for learning low-dimensional time-dependent physics-based surrogate models whose predictions are endowed with uncertainty estimates. We use the operator inference approach to model reduction that poses the problem of learning low-dimensional model terms as a regression of state space data and corresponding time derivatives by minimizing the residual of reduced system equations. Standard operator inference models perform well with accurate training data that are dense in time, but producing stable and accurate models when the state data are noisy and/or sparse in time remains a challenge. Another challenge is the lack of uncertainty estimation for the predictions from the operator inference models. Our approach addresses these challenges by incorporating Gaussian process surrogates into the operator inference framework to (1) probabilistically describe uncertainties in the state predictions and (2) procure analytical time derivative estimates with quantified uncertainties. The formulation leads to a generalized least-squares regression and, ultimately, reduced-order models that are described probabilistically with a closed-form expression for the posterior distribution of the operators. The resulting probabilistic surrogate model propagates uncertainties from the observed state data to reduced-order predictions. Furthermore, we demonstrate the method is effective for constructing low-dimensional models of two nonlinear partial differential equations representing a compressible flow and a nonlinear diffusion–reaction process, as well as for estimating the parameters of a low-dimensional system of nonlinear ordinary differential equations representing compartmental models in epidemiology.

Data-driven model reduction↗
DOE OSTI2025

When more data hurts: Optimizing data coverage while mitigating diversity-induced underfitting in an ultrafast machine-learned potential

Machine-learned interatomic potentials (MLIPs) are becoming an essential tool in materials modeling. However, optimizing the generation of training data used to parametrize the MLIPs remains a significant challenge. This is because MLIPs can fail when encountering local environments too different from those present in the training data. The difficulty of determining a priori the environments that will be encountered during molecular dynamics simulation necessitates diverse, high-quality training data. Here, this study investigates how training data diversity affects the performance of MLIPs using the Ultra-Fast force field (UF 3 ) to model amorphous silicon nitride. We employ expert and autonomously generated data to create the training data and fit four force field variants to subsets of the data. Our findings reveal a critical balance in training data diversity: insufficient diversity hinders generalization, while excessive diversity can exceed the MLIP's learning capacity, reducing simulation accuracy. Specifically, we found that the UF 3 variant trained on a subset of the training data, in which nitrogen-rich structures were removed, offered vastly better prediction and simulation accuracy than any other variant. By comparing these UF 3 variants, we highlight the nuanced requirements for creating accurate MLIPs, emphasizing the importance of application-specific training data to achieve optimal performance in modeling complex material behaviors.

ab initio molecular dynamics↗
DOE OSTI2025

Integrating Energy-Efficient Computing with Computational Research to Accelerate Energy Technology

NREL's computational sciences center hosts the largest high performance computing (HPC) capabilities dedicated to energy research while functioning as a living laboratory for energy-efficient computing. NREL's HPC capabilities support the research needs of the Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). In ten years of operation, HPC use in EERE-sponsored research has grown by a factor of 30, including work in electricity generation, energy efficiency, transportation, and energy system modeling. This paper analyzes this research portfolio, providing examples of individual use cases. The paper documents NREL's history of operating one of the world's most energy-efficient data centers while examining pathways to reduce economic and environmental impact beyond reduction of Power Usage Efficiency (PUE). This paper concludes by examining the unique opportunities created for accelerating improvements in data center efficiency created by combining an HPC system dedicated to energy research and a research program in energy-efficient computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

NATURF

The Neighborhood Adaptive Tissues for Urban Resilience Futures tool (NATURF) is a Python workflow that generates les readable by the Weather Research and Forecasting (WRF) model. The NATURF Python modules use shapefiles containing building footprint and height data as input to calculate 132 building parameters at any resolution and converts the parameters into a binary file format.

Allen-Dumas, MelissaRee [Oak Ridge National Lab. (↗
DOE OSTI2025

Guidance for Grid Resilience Decisions in Rural Minnesota

This report assesses the hazard landscape of the state of Minnesota, identifies weather hazards that are most impactful to the distribution system, includes a statewide assessment of household access to services dependent on reliable power, reviews resilience planning activities of electric utilities in Minnesota, and presents analysis of distribution grid performance in the face of extreme weather events with data from seven electric cooperatives dispersed throughout outstate Minnesota. This information is synthesized to provide considerations for resilience investment prioritization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Wellbore integrity assessment with casing-based advanced sensing

Wellbore integrity is of paramount importance to subsurface resource extraction, energy storage 1 and waste disposal. After installation, well casing and cement are subject to mechanical stress due to near-well pressure changes and fluid induced corrosion. This is exacerbated for geothermal wells where produced fluid is at high temperature and corrosive. The current state-of-the-art technologies for wellbore integrity assessments are an array of cased hole logging tools. Wireline deployed acoustic, electromagnetic and mechanical tools are all available to inspect steel casing corrosion and casing-cement bond and these tools can provide high-resolution assessment of borehole conditions. They are intrusive, however, in terms of borehole preparation and interruption to the normal operation of the wells, and not suitable for high temperature or highly deviated well deployments. In addition, these measurements are performed infrequently due to high cost, and are therefore incapable of providing frequent data to better predict borehole degradation trajectory, which can help provide early warning of potential borehole failures. For this project we are developing a suite of novel, non-invasive, casing based tools for wellbore integrity assessment, combining fast/low cost screening with higher-precision investigation. Our approach is based on monitoring the response of the casing when energized at the wellhead, thereby interrogating the casing without well intervention. Lab, field and numerical approaches are used in our study. During the early stage of the research, we focus on numerical simulations, which have shown the sensitivity of the low frequency electromagnetic (EM) signals to changes in borehole depths and have successfully tested the concept at a field site with different length well casings. Initial seismic modeling efforts have also demonstrated our capability to simulate seismic tube wave and seismic field alterations due to borehole breakage and associated fluid leakage. Further numerical, laboratory and field experiments are underway for additional technology sensitivity analysis, particularly the transient EM/Seismic reflectometry methods, data acquisition optimization, and numerical simulation improvements.

Wilt, Michael↗
DOE OSTI2022

Estimating biofuel contaminant concentration from 4D ERT with mixing models

Here, we present the results of a lab-scaled feasibility study to assess the performance of electrical resistivity tomography for detection, characterization, and monitoring of fuel grade ethanol releases to the subsurface. Further, we attempt to determine the concentration distribution of the ethanol from the electrical resistivity tomography data using mixing-models. Ethanol is a renewable fuel source as well as an oxygenate fuel additive currently used to replace the known carcinogen methyl tert-butyl ether; however, ethanol is preferentially biodegraded and a cosolvent. When introduced to areas previously impacted by nonethanol-based fuels, it will facilitate the persistence of carcinogenic fuel compounds like benzene and ethylbenzene, as well as remobilize them to the ground water. These compounds would otherwise be retained in the soil column undergoing active or passive remediation processes such as soil vapor extraction or natural attenuation. Here, we introduce ethanol to a saturated Ottawa sand in a tank instrumented for four-dimensional geoelectrical measurements. Forward model results suggest pure phase ethanol released into a water saturated silica sand should present a detectable target for electrical resistivity tomography relative to a saturated silica sand only. We observe the introduction of ethanol to the closed hydraulic system and subsequent migration over the duration of the experiment. One-dimensional and three–dimensional temporal data are assessed for the detection, characterization, and monitoring of the ethanol release. Results suggest one-dimensional geoelectrical measurements may be useful for monitoring a release, while three-dimensional geoelectrical field imaging would be useful to characterize, monitor, and design effective remediation approaches for an ethanol release, assuming field conditions do not preclude the application of geoelectrical methods. We then attempt to use predictive mixing models to calculate the distribution of ethanol concentration within the measurement domain. For this study we examine four different models: a nested parallel mixing model, a nested cubic mixing model, the complex refractive index model (CRIM), and the Lichtenecker-Rother (L-R) model. The L-R model, modified to include an electrical formation factor geometry term, provided the best agreement with expected EtOH concentrations.

09 BIOMASS FUELS↗
DOE OSTI2022

Multidimensional, high precision beam spin asymmetry measurements of semi-inclusive pion production off the proton with CLAS12

High precision measurements of the polarized electron beam-spin asymmetry in SIDIS from the proton have been performed using a 10.6 GeV incident electron beam and the CLAS12 spectrometer at Jefferson Lab. The proceeding reports a multidimensional study of the structure function ratio F^{sin\phi}_{LU}/F_{UU} F L U s i n ϕ / F U U extracted from single pion ( \pi^{+} π + , \pi^{-} π − , \pi^{0} π 0 ) SIDIS data over a large kinematic range in z z , x_{B} x B , P_{T} P T and virtualities Q^{2} Q 2 ranging from 1~GeV ^2 2 up to 7~GeV ^2 2 . F^{sin\phi}_{LU} F L U s i n ϕ is a twist-3 quantity that can reveal novel properties of quark-gluon correlations within the nucleon.

Diehl, Stefan↗
DOE OSTI2021

Tracking the Sun: Pricing and Design Trends for Distributed Photovoltaic Systems in the United States (2021 Edition) [Slides]

Berkeley Lab’s annual Tracking the Sun report describes trends among grid-connected, distributed solar photovoltaic (PV) systems in the United States. The latest edition of the report focuses on systems installed through year-end 2020, and is based on data from roughly 2.2 million systems, covering 79% of all distributed PV systems installed nationally through 2020. The report describes trends related to project characteristics, including system size, module efficiencies, prevalence of paired PV with storage, use of module-level power electronics, third-party ownership, mounting configurations, panel orientation, and non-residential customer segmentation ownership. Median installed-price trends, including both long-term and more recent temporal trends at the national and state levels, with comparisons to other recent PV cost and pricing benchmarks as well as to prices reported for other countries. Variability in pricing across individual projects based on system size, state, installer, module efficiency, inverter technology, and non-residential customer type. The report also includes an econometric analysis to estimate the effects of individual drivers on installed prices for host-owned residential systems installed in 2020.

14 SOLAR ENERGY↗
DOE OSTI2022

Tracking the Sun: Pricing and Design Trends for Distributed Photovoltaic Systems in the United States, 2022 Edition

Berkeley Lab’s annual Tracking the Sun report describes trends among grid-connected, distributed solar photovoltaic (PV) systems in the United States. The latest edition of the report focuses on systems installed through year-end 2021, and is based on data from roughly 2.5 million systems. New to the report this year is an expanded coverage of paired PV-plus-storage systems, including details on system design and pricing trends. The report describes trends related to: -Project characteristics, including system size, module efficiencies, prevalence of paired PV with storage, use of module-level power electronics, third-party ownership, mounting configurations, panel orientation, and non-residential customer segmentation ownership -Median installed-price trends, both nationally and by state, including preliminary data for first half of 2022 -Variability in pricing according to system size, state, installer, equipment type, and other factors, relying on both descriptive and econometric analysis

14 SOLAR ENERGY↗
DOE OSTI2023

A Collaboration Website for Muon Catalyzed Fusion and Muon Beam Production

This project sets up a website to support the nascent Muon Catalyzed Fusion collaboration including development of particle accelerators and transport beamlines for muon beams. The website is envisioned as having the general public information pages and private pages for collaboration members. Multimedia elements like images, text animations, and video lectures, covering a broad spectrum of topics will populate the educational site, covering muon facilities, to comprehensive explorations and seminal documents that define the science of Muon Catalyzed Fusion, Acceleration, Applications, Instrumentation, Beamline Design, and beam dynamics design codes. Ensuring compatibility across devices and operating systems, it also features integration with Google Docs for collaboration, a code repository (GitHub), a blog platform with comments (WordPress), the potential for ChatGPT integration and interactive graph plotting with Python Plotty to enhance data visualization. This project will maintain public and protected private pages, due to the proprietary nature of the work or research in progress. The public sections will be built to foster dissemination of information and highlight recent work within the NK Labs collaboration, including lectures, published papers, and regular blog posts with open commenting. The private section will support unpublished or nonpublic research, by facilitating collaborative efforts through integrated Google Docs and Python Plotty for shared graphing work. Ultimately, this project strives to make complex scientific knowledge more accessible to the public, foster enhanced collaboration, and serve as a platform for sharing cutting-edge research in Muon Catalyzed Fusion and Accelerators.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Louisville Communities LEAP Engagement: Improving Energy Efficiency in Affordable Housing [Slides]

This presentation outlines the initial results from a year-plus engagement between the National Renewable Energy Lab and Louisville, Kentucky through the U.S. Department of Energy's Communities LEAP (Local Energy Action Program) effort. Louisville, as represented by the Louisville Metro Government, Kentuckians for the Commonwealth, and the Metropolitan Housing Coalition, sought technical assistance from the labs to address energy usage in its residential housing stock as part of efforts to reduce community-wide emissions and high energy burdens throughout its community. The Communities LEAP scope of work included an energy efficiency analysis that leveraged ResStock data to identify key efficient technologies to explore for retrofitting Louisville's housing stock; technical support around developing a community benchmarking ordinance to help Louisville track its progress towards reducing energy usage; a workforce development overview to help Louisville ensure a sufficient and equitable distribution of clean-energy-related jobs supported by its energy efficiency efforts; a policy analysis component to track energy efficiency related policies Louisville may be interested in adapting from peer communities across the country; and a financing analysis component to identify opportunities to lower the barrier to clean energy adoption.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Lithium-Ion Battery Design for Grid-Scale Energy Storage App

A software that delivers parameters from energy storage system (ESS) to container, rack, module and single cell design, as well as data analysis on arbitrage energy and frequency regulation of ESS in different regions, has been developed. The Lithium-ion Battery Design for Grid-scale Energy Storage App V1.0 has the capability to output the system, module and cell design with the energy, power, capacity, group method, cost of single cell, and single cell test protocol which break down from input energy storage system data in different regions. The default chemistry of the battery is LiFePO4 and graphite. The energy density of the graphite/LiFePO 4 pouch cell ranges from 100 Wh/kg to 200 Wh/Kg in the software. Graphite/LiFePO 4 pouch cell (up to 1Ah in lab) manufacturing line is also built and can be used to evaluate the test protocol, moreover, for electrolyte evaluation in other ESMI seedling projects. The software enables rapid prototyping to accelerate energy storage research, development, and manufacturing.

Liu, Dianying↗
DOE OSTI2022

Experimental Determination of the QCD Effective Charge α g1 ( Q )

The QCD effective charge α g1 (Q) is an observable that characterizes the magnitude of the strong interaction. At high momentum Q, it coincides with the QCD running coupling α s (Q). At low Q, it offers a nonperturbative definition of the running coupling. We have extracted α g1 (Q) from measurements carried out at Jefferson Lab that span the very low to moderately high Q domain, 0.14 ≤ Q ≤ 2.18 GeV. The precision of the new results is much improved over the previous extractions and the reach in Q at the lower end is significantly expanded. The data show that α g1 (Q) becomes Q-independent at very low Q. They compare well with two recent predictions of the QCD effective charge based on Dyson–Schwinger equations and on the AdS/CFT duality.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Advanced Long-Term Environmental Monitoring Systems (ALTEMIS) Artificial Intelligence Data Management Plan

Across the Department of Energy’s Environmental and Legacy Management sites, complex groundwater plumes exist that will require long-term monitoring to ensure remedial actions that have been put in place remain effective decades into the future. The current monitoring paradigm predominantly consists of groundwater well sampling, whereby samples are collected, concentrations analyzed, and plume anomalies are detected after they have occurred. The Advanced Long Term Environmental Monitoring Systems (ALTEMIS) program is a multi-lab, multi-institution team of researchers that is deploying spatially integrative technologies (i.e., real-time in situ sensor networks), coupled with artificial intelligence and machine learning, to establish a more proactive monitoring paradigm. Within this approach, plume anomalies can be predicted, and corrective actions can be established prior to the occurrence, offering a more cost-effective and robust approach to long-term monitoring. The team has deployed a variety of different in situ sensing technologies at the Savannah River Site’s F-Area Hazardous Waste Management Facility around the F-Area Seepage Basins, which are unlined basins that received 7 billion liters of acidic low-level radioactive waste from the 1950s until the late 1980s. The technologies and techniques that the team is deploying are intended to ensure that the remedial actions that have been taken by the site remain effective decades into the future. Foundational to this approach is a robust, integrated data management and analysis plan to ensure accurate and timely reporting from the variety of sensor systems that are in place. This report will outline the data management plan that has been implemented by the ALTEMIS team at the Savannah River Site and will serve as a blueprint as the technology is translated to new sites across the DOE Complex.

54 ENVIRONMENTAL SCIENCES↗