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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

NETL’s Techno-Economic Models for Assessing CO2 Pipeline Transport and Geologic Storage

Presentation at Society of Petroleum Engineers (SPE) Workshop: Future Energy Roadmap – Navigating Through the Energy Transition, held in Galveston, Texas, August 22-23, 2022. The presentation provides an overview of the techno-economic models NETL has developed for assessing performance characteristics and cost drivers for CO2 pipeline transport (FECM/NETL CO2 Transport Cost Model or CO2_T_COM), CO2 saline storage (FECM/NETL CO2 Saline Storage Cost Model or CO2_S_COM), and oil production and CO2 storage using CO2 enhanced oil recovery (EOR) (FE/NETL CO2 Prophet Model or CO2_Prophet and FE/NETL Onshore CO2 EOR Cost Model or CO2_E_COM). A high-level description of each model is presented along with useful outputs that can be generated with each model. These tools can be used individually to evaluate the economic opportunity for specific CCUS components, or they can be used in tandem to assess an integrated CCUS value chain.

Morgan, David↗
DOE OSTI2024

ML-based Dimension Reduction Strategies

Deep learning (DL)--based surrogate models have achieved success in various applications in carbon capture and storage (CCS). However, the model training on high-dimensional spaces is computationally expensive and impractical for large-scale and complex geological models, because the models usually contain hundreds of thousands to millions of grid cells, each with a set of parameters. Furthermore, the high cost of generating training data with sufficient variation is another limitation of model training on high-dimensional spaces, which may result in overfitting and reduce the model efficiency and prediction performance. We proposed the workflow incorporating dimension reduction methods and deep learning models, which aim to extract the latent variables of input parameters and output state variables, and then build the mapping function at the latent spaces. The proposed workflow can significantly reduce the computational complexity in solving both forward and inverse problems compared to models trained on high-dimensional spaces. Dimensionality reduction models showed great potential in workflows for fast reservoir simulation, history matching, prior model generation, visualization, and more, ultimately enhancing DL model performance in related SMART Work Packages.

Hosseini, Seyyed↗
DOE OSTI2023

The Effect of Clean Energy Generation Targets on the Portfolio of Electric Grid Generation Technologies

A least-cost generation and transmission expansion planning model is used to optimize the U.S. generation portfolio in 2030 under a range of Clean Energy Generation Target (CEGT) policy goals. As reference cases for comparison, the model is used to optimize the generation portfolio for the future electric grid with and without the Investment and Production Tax Credits (ITC and PTC). Next, the model is used to optimize the generation portfolio with a CEGT ranging from 10% to 70%. The results show that due to the ITC and PTC extensions by the 2022 Inflation Reduction Act, there is little additional investment in renewable energy generation assets at low CEGT levels. Significant additional installations of both renewable energy generation and energy storage systems – both batteries and pumped storage hydro – become important at CEGT levels above approximately 30%.

Aldeman, Matthew↗
DOE OSTI2020

Implementation of the riding hydrogen model in CCTBX to support the next generation of X-ray and neutron joint refinement in Phenix

A fundamental prerequisite for implementing new procedures of atomic model refinement against neutron diffraction data is the efficient handling of hydrogen atoms. The riding hydrogen model, which constrains hydrogen atom parameters to those of the non-hydrogen atoms, is a plausible parameterization for refinements. This work describes the implementation of the riding hydrogen model in the Computational Crystallography Toolbox and in Phenix. Riding hydrogen atoms can be found in several different configurations that are characterized by specific geometries. For each configuration, the hydrogen atom parameterization and the expressions for the gradients of refinement target function with respect to non-hydrogen parameters are described.

H atom parameterization↗
DOE OSTI2026

Ontologies for Intelligent Data Science

As anyone even vaguely aware of current technology can tell you, machine learning (ML) and artificial intelligence (AI) have made exceptional breakthroughs in recent years. Generative artificial intelligence (GAI) emerged circa 2022 dominated by Large Language Models (LLMs) and generative tools for images emerged at about the same time.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

A data-driven model for thermodynamic properties of a steam generator under cycling operation

The varying electricity demand from coal power plants due to the intermittent nature of renewable sources leads to load-follow and on/off operations referred to as cycling. Cycling causes transients of properties such as pressure and temperature within various components of the steam generation system.These transients cause increased damage because of fatigue and creep-fatigue interactions shortening the life of components. An algorithm is developed to identify cycling operations from the gross power data. The data-driven model based on artificial neural networks (ANN) is developed using 10 years data from Coal Creek Station power plant located in North Dakota, USA to estimate properties of the steam generator components during cycling operations. Furthermore, the uniqueness of this model is the ability to predict component properties for the cycling as well as base-load operations and is reported for the first time. The ANN model estimates the component properties, for a given gross power profile and initial conditions, as they vary during cycling operations. As a representative example, the ANN estimates are presented for the superheater outlet pressure, reheater inlet temperature, and flue gas temperature at the air heater inlet. The changes in these variables as a function of the gross power over the time duration are compared with measurements to assess the predictive capability of the model. Mean square errors of 4.49E-04 for superheater outlet pressure, 1.62E-03 for reheater inlet temperature, and 4.14E-04 for flue gas temperature at the air heater inlet were observed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Renewable electricity capacity planning with uncertainty at multiple scales

Abstract We formulate and compare optimization models of investment in renewable generation using a suite of social planning models that compute optimal generation capacity investments for a hydro-dominated electricity system where inflow uncertainty results in a risk of energy shortage. The models optimize the expected cost of capacity expansion and operation allowing for investments in hydro, geothermal, solar, wind, and thermal plant, as well as battery storage for smoothing load profiles. A novel feature is the integration of uncertain seasonal hydroelectric energy supply and short-term variability in renewable supply in a two-stage stochastic programming framework. The models are applied to data from the New Zealand electricity system and used to estimate the costs of moving to a 100% renewable electricity system by 2035. We also explore the outcomes obtained when applying different forms of CO 2 constraint that limit respectively non-renewable capacity, non-renewable generation, and CO 2 emissions on average, almost surely, or in a chance-constrained setting, and show how our models can be used to investigate the merits of a proposed pumped-hydro scheme in New Zealand’s South Island.

Ferris, Michael C.↗
DOE OSTI2020

Auto-BLAST (AutoBLAST) [SWR-20-93]

Battery life modeling often involves a lot of manual parameter fitting and is not easy for users to adopt the model and use it. To reduce the difficulties for users to adopt battery lifetime models, an automatic battery lifetime modeling analysis and simulation tool suite, Auto-BLAST, has been developed. Auto-BLAST includes a lithium-loss-base life model, a battery electric model, and an algorithm which automatically fits all key parameters in the electric and life models using user provided data. The models and algorithm are packaged into two user-friendly GUIs, Auto-LifeMod, for easy battery life prognostic model fitting and Auto-LifeSim, for easy battery lifetime simulation. The lithium-loss-based life model adopts a similar model framework that models degradations using aging rate models, using battery cycling data to predict battery degradation and expected lifetime. The electric model is an equivalent circuit model which simulates battery voltage responses based on current/power demand profiles. The auto-fitting algorithm uses the user-input data to generate custom battery life model(s). Two GUIs, wrapping around the life model and the auto-fitting algorithm, provide friendly interfaces for users to generate a life model and use it for case study. One GUI requires summary data from accelerated battery life degradation tests as an input and produces battery life models predicting (a) capacity degradation, and (b) resistance growth of the battery. The GUI displays the electrical model response and the input experimental data against the life model predictions with fitted model parameters and fitting error. The GUI also generates an output file to save the fitted model parameters. The second GUI uses the life model from the first GUI and a user-defined battery cycling profile to predict battery lifetime degradation and expected lifetime. Predicted capacity and resistance vs. time are plotted in the GUI and saved to output file. There is a user guide for both GUIs

Mishra, Partha↗
DOE OSTI2025

Resolution dependence of the turbulent atmospheric boundary layer in global storm-resolving climate simulations

The current generation of state-of-the-art global climate models are being run at increasingly higher horizontal resolutions, with the goal of resolving organised deep convection explicitly. How a kilometre-scale resolution impacts the representation of the atmospheric boundary layer is, however, not well known. Using statistical analysis on global fields as well as high-frequency data at selected locations, produced with the Integrated Forecasting System (IFS) model for the Next Generation Earth-system Models (nextGEMS) project, we investigate the horizontal resolution dependence of some boundary-layer processes. We find that a change in resolution from 9 to 2.8 km causes no substantial changes to boundary-layer properties and processes at most of the locations studied, although some global changes are detected that indicate circulation changes. Small changes to the boundary-layer depth and structure are found in the Tropics. The short simulation length and lack of data for optimal boundary-layer analysis limits the conclusions, especially in relation to the connection between the boundary layer and the atmosphere general circulation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Deep learning-assisted modeling for χ (2) nonlinear optics

Modeling second-order (χ(2)) nonlinear optical processes remains computationally expensive due to the need to resolve fast field oscillations and simulate wave propagation using methods such as the split-step Fourier method (SSFM). This can become a bottleneck in real-time applications, such as high-repetition-rate laser systems requiring rapid feedback and control. We present a long short-term memory-based surrogate model trained on SSFM simulations generated from a start-to-end model of the photocathode drive laser at SLAC National Accelerator Laboratory’s Linac Coherent Light Source II. The model achieves over 250× speedup while maintaining high fidelity, enabling future real-time optimization and laying the foundation for data-integrated modeling frameworks and digital twins of laser systems.

Accelerator Physics (physics.acc-ph)↗
DOE OSTI2020

Machine Learning-Based PV Reserve Determination Strategy for Frequency Control on the WECC System

Frequency control from photovoltaic (PV) power plants has great potential to address the frequency response challenge of the power system with high penetrations of renewable generation. Using model-based approaches to determine the optimal PV headroom reserve, however, requires significant online computation and is intractable for an interconnection level system. This paper proposes a machine learning based strategy, that is suitable for real-time operation, to determine the optimal PV reserve for frequency control. The proposed machine learning algorithm is trained and tested on 1,987 offline simulations of a 60% renewable penetration Western Electricity Coordinating Council (WECC) system. Furthermore, the proposed reserve determination strategy is applied on a realistic 1-day operation profile of the WECC system and demonstrates a savings of more than 40% PV headroom compared to a conservative approach. It is evident that the proposed strategy can efficiently and effectively determine the optimal PV frequency control reserve for realistic interconnection systems.

frequency control↗
DOE OSTI2025

Monthly hydropower generation data for Western Canada to support Western-US interconnect power system studies

Hydroelectric power generation in Western Canada significantly contributes to power grid operations of the North American Western Interconnection through substantial generation, some of which is exported to the United States (U.S.). However, the lack of publicly available hydropower generation datasets poses challenges for future market projections and resource adequacy evaluations. We present a simulation-based monthly power system model-ready hydropower generation dataset for 110 facilities in British Columbia and Alberta from 1981 to 2019. These monthly hydropower generation estimates are developed from integrated hydrologic model simulations of runoff and reservoir-operated streamflow, followed by scaling that considers diversion inflow constraints based on hydropower water license information. To address the lack of comparable hydropower generation records, we conduct step-by-step evaluations for simulated runoff, regulated streamflow, and hydropower generation using available observations or estimates. The presented hydropower dataset aims to enhance the representation of hydropower resources in Western Canada, supporting power grid system studies for the Western Interconnection of the U.S. and Canada.

13 HYDRO ENERGY↗
DOE OSTI2024

Urbanization exacerbates continental- to regional-scale warming

Urbanization is usually ignored when estimating past changes in large-scale climate and for future climate projections since cities historically covered a small fraction of the Earth’s surface. Here, by combining global land surface temperature observations with historical estimates of urban area, we demonstrate that the urban contribution to continental- to regional-scale warming has become non-negligible, especially for rapidly urbanizing regions and countries in Asia. Consequently, expected urban expansion over the next century suggests further increased urban influence on large-scale surface climate in the future (approximately 0.16 K for North America and Europe for high-emission scenario in 2100). Based on these results, also seen for air temperature, we argue that, in line with other forms of land use/land cover change, urbanization should be explicitly included in climate change assessments. This requires incorporation of dynamic urban extent and biophysics in current-generation Earth system models to quantify potential urban feedback on the climate system across scales.

Chakraborty, TC↗
DOE OSTI2020

Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane

The small GTPase KRAS is localized at the plasma membrane where it functions as a molecular switch, coupling extracellular growth factor stimulation to intracellular signaling networks. In this process, KRAS recruits effectors, such as RAF kinase, to the plasma membrane where they are activated by a series of complex molecular steps. Defining the membrane-bound state of KRAS is fundamental to understanding the activation of RAF kinase and in evaluating novel therapeutic opportunities for the inhibition of oncogenic KRAS-mediated signaling. We combined multiple biophysical measurements and computational methodologies to generate a consensus model for authentically processed, membrane-anchored KRAS. In contrast to the two membrane-proximal conformations previously reported, we identify a third significantly populated state using a combination of neutron reflectivity, fast photochemical oxidation of proteins (FPOP), and NMR. In this highly populated state, which we refer to as “membrane-distal” and estimate to comprise ~90% of the ensemble, the G-domain does not directly contact the membrane but is tethered via its C-terminal hypervariable region and carboxymethylated farnesyl moiety, as shown by FPOP. Subsequent interaction of the RAF1 RAS binding domain with KRAS does not significantly change G-domain configurations on the membrane but affects their relative populations. Overall, our results are consistent with a directional fly-casting mechanism for KRAS, in which the membrane-distal state of the G-domain can effectively recruit RAF kinase from the cytoplasm for activation at the membrane.

KRAS↗
DOE OSTI2025

Simulation and analysis of small angle scattering (SAS) patterns of Ni-based superalloy microstructures generated by a phase-field model

This paper investigates the relationship between microstructural features and small-angle scattering (SAS) patterns in Ni-based superalloys using a combined phase-field and SAS simulation approach coupled with microstructure analyses. The simulated SAS patterns accurately capture key experimental observations previously reported in the literature, including the time-dependent transition from circular to square-shaped precipitates and the development of anisotropic SAS patterns. Importantly, our analysis reveals the correlations between characteristic length scales extracted from SAS profiles and microstructural descriptors, such as precipitate size and inter-precipitate distance. These findings provide a comprehensive understanding of the link between SAS profiles and microstructure evolution in Ni-based superalloys, offering valuable insights for materials characterization and design.

Microstructure↗
DOE OSTI2027

Market participation strategy of hybrid energy resources: A New York ISO case study

Drawing on existing market designs with independent resource participation in electricity markets, this study analyzes participation models for hybrid resources combining renewable generation and storage. Two models are considered: in the first, the components operate independently, with the Independent System Operator (ISO) managing the storage state of charge (SoC); in the second, the hybrid resource acts as an integrated unit, submitting offers as a “black box” and managing its SoC internally. Using a production cost model for the zonal New York Bulk Power System, we evaluate trade-offs in system reliability, market efficiency, and asset profitability. Our results provide several key insights for policymakers, showing that the ISO-managed granular model enhances social welfare through explicit SoC management, while the simpler integrated model is more computationally efficient, but may cause more real-time violations and lower overall profits.

Bansal, Rajni Kant↗