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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Data-driven Quasi-static Surrogate Models for Nuclear-powered Integrated Energy Systems

The integration of nuclear power into energy systems presents a promising avenue to address the growing global energy demands while minimizing greenhouse gas emissions. In this paper, we introduce a data-driven quasi-static surrogate model for nuclear-powered Integrated Energy Systems (IES) that comprises various components, including a small modular reactor (SMR), steam manifold, balance of plant (BOP), high-temperature steam electrolysis (HTSE), and district heating (DH) system. Traditional physics-based models for these components often entail significant computational resource and time consumption, necessitating the development of efficient surrogate models. The development of a complete surrogate model for the IES involves the creation of individual surrogate models for each component, leveraging machine learning techniques and simulated data. These isolated surrogate models are subsequently integrated, enabling a holistic view of the IES and reducing the computational burden associated with detailed physics-based simulations. This paper outlines the development process, validation, and the performance evaluation of the surrogate models. The exceptional performance, with low root-mean-squared errors and R-squared scores of at least 99.8% across all individual surrogate models, underscores their accuracy and practical applicability. These results demonstrate the potential of these models to expedite the analysis of nuclear-powered IES, offering insights that can shape future research and development efforts.

08 HYDROGEN↗
DOE OSTI2024

Data-driven Quasi-static Surrogate Model for Nuclear-powered Integrated Energy Systems

The integration of nuclear power into energy systems presents a promising avenue to address the growing global energy demands while minimizing greenhouse gas emissions. In this paper, we introduce a data-driven quasi-static surrogate model for nuclear-powered Integrated Energy Systems (IES) that comprises various components, including a small modular reactor (SMR), energy manifold (EM), balance of plant (BOP), high-temperature steam electrolysis (HTSE), and district heating (DH) system. Traditional physics-based models for these components often entail significant computational overhead and time consumption, necessitating the development of efficient surrogate models. The development of a complete surrogate model for the IES involves the creation of individual surrogate models for each component, leveraging machine learning techniques and simulated data. These isolated surrogate models are subsequently integrated, enabling a holistic view of the IES and reducing the computational burden associated with detailed physics-based simulations. This paper outlines the development process, validation, and the performance evaluation of the surrogate models. The findings shed light on the accuracy and applicability of the surrogate models in practical scenarios, demonstrating their potential to expedite the analysis of nuclear-powered IES and inform future research and development efforts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Addressing deep array effects and impacts to wake steering with the cumulative-curl wake model

Abstract. Wind farm design and analysis heavily rely on computationally efficient engineering models that are evaluated many times to find an optimal solution. A recent article compared the state-of-the-art Gauss-curl hybrid (GCH) model to historical data of three offshore wind farms. Two points of model discrepancy were identified therein: poor wake predictions for turbines experiencing a lot of wakes and wake interactions between two turbines over long distances. The present article addresses those two concerns and presents the cumulative-curl (CC) model. Comparison of the CC model to high-fidelity simulation data and historical data of three offshore wind farms confirms the improved accuracy of the CC model over the GCH model in situations with large wake losses and wake recovery over large inter-turbine distances. Additionally, the CC model performs comparably to the GCH model for single- and fewer-turbine wake interactions, which were already accurately modeled. Lastly, the CC model has been implemented in a vectorized form, greatly reducing the computation time for many wind conditions. The CC model now enables reliable simulation studies for both small and large offshore wind farms at a low computational cost, thereby making it an ideal candidate for wake-steering optimization and layout optimization.

17 WIND ENERGY↗
DOE OSTI2014

Characterizing unknown systematics in large scale structure surveys

Photometric large scale structure (LSS) surveys probe the largest volumes in the Universe, but are inevitably limited by systematic uncertainties. Imperfect photometric calibration leads to biases in our measurements of the density fields of LSS tracers such as galaxies and quasars, and as a result in cosmological parameter estimation. Earlier studies have proposed using cross-correlations between different redshift slices or cross-correlations between different surveys to reduce the effects of such systematics. In this paper we develop a method to characterize unknown systematics. We demonstrate that while we do not have sufficient information to correct for unknown systematics in the data, we can obtain an estimate of their magnitude. We define a parameter to estimate contamination from unknown systematics using cross-correlations between different redshift slices and propose discarding bins in the angular power spectrum that lie outside a certain contamination tolerance level. We show that this method improves estimates of the bias using simulated data and further apply it to photometric luminous red galaxies in the Sloan Digital Sky Survey as a case study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Denoising atomic resolution 4D scanning transmission electron microscopy data with tensor singular value decomposition

Tensor singular value decomposition (SVD) is a method to find a low-dimensional representation of data with meaningful structure in three or more dimensions. Here, tensor SVD has been applied to denoise atomic-resolution 4D scanning transmission electron microscopy (4D STEM) data. On data simulated from a SrTiO 3 [100] perfect crystal and a Si [110] edge dislocation, tensor SVD achieved an average peak signal-to-noise ratio (PSNR) of ~40 dB, which matches or exceeds the performance of other denoising methods, with processing times at least 100 times shorter. On experimental data from SrTiO 3 [100] and LiZnSb [11 2 ¯ 0]/GaSb [110] samples, tensor SVD denoises multiple GB 4D STEM data sets in ten minutes on a typical personal computer. Denoising with tensor SVD improves both convergent beam electron diffraction patterns and virtual-aperture annular dark field images.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Aerodynamic Characteristics, Database Development and Flight Simulation of the X-34 Vehicle

An overview of the aerodynamic characteristics, development of the preflight aerodynamic database and flight simulation of the NASA/Orbital X-34 vehicle is presented in this paper. To develop the aerodynamic database, wind tunnel tests from subsonic to hypersonic Mach numbers including ground effect tests at low subsonic speeds were conducted in various facilities at the NASA Langley Research Center. Where wind tunnel test data was not available, engineering level analysis is used to fill the gaps in the database. Using this aerodynamic data, simulations have been performed for typical design reference missions of the X-34 vehicle.

Pamadi, Bandu N.↗
NASA NTRS2000

Aerodynamic Characteristics, Database Development and Flight Simulation of the X-34 Vehicle

An overview of the aerodynamic characteristics, development of the preflight aerodynamic database and flight simulation of the NASA/Orbital X-34 vehicle is presented in this paper. To develop the aerodynamic database, wind tunnel tests from subsonic to hypersonic Mach numbers including ground effect tests at low subsonic speeds were conducted in various facilities at the NASA Langley Research Center. Where wind tunnel test data was not available, engineering level analysis is used to fill the gaps in the database. Using this aerodynamic data, simulations have been performed for typical design reference missions of the X-34 vehicle.

Pamadi, Bandu N.↗
NASA NTRS2015

Continental Spatio-Temporal Data Analysis with Linear Spectral Mixture Model Using FOSS

This work demonstrates the development and implementation of a Fully Constrained Least Squares (FCLS) unmixing model developed in C++ programming language with OpenCV package and boost C++ libraries in the NASA Earth Exchange (NEX). Visualization of the results is supported by GRASS GIS and statistical analysis is carried in R in a Linux system environment. FCLS was first tested on computer simulated data with Gaussian noise of various signal-to-noise ratio, and Landsat data of an agricultural scenario and an urban environment using a set of global end members of substrate (soils, sediments, rocks, and non-photosynthetic vegetation), vegetation that includes green photosynthetic plants and dark objects which encompasses absorptive substrate materials, clear water, deep shadows, etc. For the agricultural scenario, a spectrally diverse collection of 11 scenes of Level 1 terrain corrected, cloud free Landsat-5 TM data of Fresno, California, USA were unmixed and the results were validated with the corresponding ground data. To study an urbanized landscape, a clear sky Landsat-5 TM data were unmixed and validated with coincident World View-2 abundance maps (of 2 m spatial resolution) for an area of San Francisco, California, USA. The results were evaluated using descriptive statistics, correlation coefficient, RMSE, probability of success, boxplot and bivariate distribution function. Finally, FCLS was used for sub-pixel land cover analysis of the monthly WELD (Wen-enabled Landsat data) repository from 2008 to 2011 of North America. The abundance maps in conjunction with DMSP-OLS nighttime lights data were used to extract the urban land cover features and analyze their spatial-temporal growth.

Landsat Satellites↗
DOE OSTI2016

K + block is the mechanism of functional asymmetry in bacterial Na v channels

Crystal structures of several bacterial Na v channels have been recently published and molecular dynamics simulations of ion permeation through these channels are consistent with many electrophysiological properties of eukaryotic channels. Bacterial Na v channels have been characterized as functionally asymmetric, and the mechanism of this asymmetry has not been clearly understood. To address this question, we combined non-equilibrium simulation data with two-dimensional equilibrium unperturbed landscapes generated by umbrella sampling and Weighted Histogram Analysis Methods for multiple ions traversing the selectivity filter of bacterial Na v Ab channel. This approach provided new insight into the mechanism of selective ion permeation in bacterial Nav channels. The non-equilibrium simulations indicate that two or three extracellular K + ions can block the entrance to the selectivity filter of Na v Ab in the presence of applied forces in the inward direction, but not in the outward direction. The block state occurs in an unstable local minimum of the equilibrium unperturbed free-energy landscape of two K+ ions that can be ‘locked’ in place bymodest applied forces. In contrast to K + , three Na + ions move favorably through the selectivity filter together as a unit in a loose “knock-on” mechanism of permeation in both inward and outward directions, and there is no similar local minimum in the two-dimensional free-energy landscape of two Na + ions for a block state. The useful work predicted by the non-equilibrium simulations that is required to break the K + block is equivalent to large applied potentials experimentally measured for two bacterial Na v channels to induce inward currents of K + ions. Here, these results illustrate how inclusion of non-equilibrium factors in the simulations can provide detailed information about mechanisms of ion selectivity that is missing from mechanisms derived from either crystal structures or equilibrium unperturbed free-energy landscapes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Data processing for the DMSP microwave radiometer system

A software program was developed and tested to process microwave radiometry data to be acquired by the microwave sensor (SSM/T) on the Defense Meteorological Satellite Program spacecraft. The SSM/T 7-channel microwave radiometer and systems data will be data-linked to Air Force Global Weather Central (AFGWC) where they will be merged with ephemeris data prior to product processing for use in the AFGWC upper air data base (UADB). The overall system utilizes an integrated design to provide atmospheric temperature soundings for global applications. The fully automated processing at AFGWC was accomplished by four related computer processor programs to produce compatible UADB soundings, evaluate system performance, and update the a priori developed inversion matrices. Tests with simulated data produced results significantly better than climatology.

Rigone, J. L.↗
NASA NTRS1980

Development of advanced techniques for rotorcraft state estimation and parameter identification

An integrated methodology for rotorcraft system identification consists of rotorcraft mathematical modeling, three distinct data processing steps, and a technique for designing inputs to improve the identifiability of the data. These elements are as follows: (1) a Kalman filter smoother algorithm which estimates states and sensor errors from error corrupted data. Gust time histories and statistics may also be estimated; (2) a model structure estimation algorithm for isolating a model which adequately explains the data; (3) a maximum likelihood algorithm for estimating the parameters and estimates for the variance of these estimates; and (4) an input design algorithm, based on a maximum likelihood approach, which provides inputs to improve the accuracy of parameter estimates. Each step is discussed with examples to both flight and simulated data cases.

Hall, W. E., Jr.↗
NASA NTRS1991

Comparison of several system identification methods for flexible structures

In the last few years various methods of identifying structural dynamics models from modal testing data have appeared. A comparison is presented of four of these algorithms: the Eigensystem Realization Algorithm (ERA), the modified version ERA/DC where DC indicated that it makes use of data correlation, the Q-Markov Cover algorithm, and an algorithm due to Moonen, DeMoor, Vandenberghe, and Vandewalle. The comparison is made using a five mode computer module of the 20 meter Mini-Mast truss structure at NASA Langley Research Center, and various noise levels are superimposed to produced simulated data. The results show that for the example considered ERA/DC generally gives the best results; that ERA/DC is always at least as good as ERA which is shown to be a special case of ERA/DC; that Q-Markov requires the use of significantly more data than ERA/DC to produce comparable results; and that is some situations Q-Markov cannot produce comparable results.

Lew, J.-S.↗
NASA NTRS1991

Comparison of several system identification methods for flexible structures

In the last few years various methods of identifying structural dynamics models from modal testing data have appeared. This paper presents a comparison of four of these algorithms: the Eigensystem Realization Algorithm (ERA), the modified version ERA/DC where DC indicates that it makes use of data correlations, the Q-Markov Cover algorithm, and an algorithm due to Moonen, DeMoor, Vandenberghe and Vandewalle. The comparison is made using a five mode computer model of the 20 meter Mini-Mast truss structure at NASA Langley Research Center, and various noise levels are superimposed to produce simulated data. The results show that for the example considered ERA/DC generally gives the best results; that ERA/DC is always at least as good as ERA which is shown to be a special case of ERA/DC; that Q-Markov requires the use of significantly more data than ERA/DC to produce comparable results; and that in some situations Q-Markov cannot produce comparable results.

Lew, J.-S.↗
DOE OSTI2024

Score-based denoising for atomic structure identification

We propose an effective method for removing thermal vibrations that complicate the task of analyzing complex dynamics in atomistic simulation of condensed matter. Our method iteratively subtracts thermal noises or perturbations in atomic positions using a denoising score function trained on synthetically noised but otherwise perfect crystal lattices. The resulting denoised structures clearly reveal underlying crystal order while retaining disorder associated with crystal defects. Purely geometric, agnostic to interatomic potentials, and trained without inputs from explicit simulations, our denoiser can be applied to simulation data generated from vastly different interatomic interactions. The denoiser is shown to improve existing classification methods, such as common neighbor analysis and polyhedral template matching, reaching perfect classification accuracy on a recent benchmark dataset of thermally perturbed structures up to the melting point. Demonstrated here in a wide variety of atomistic simulation contexts, the denoiser is general, robust, and readily extendable to delineate order from disorder in structurally and chemically complex materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations. The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

WRF Simulations of the 20-22 January 2007 Snow Events over Eastern Canada: Comparison with In-Situ and Satellite Observations

One of the grand challenges of the Global Precipitation Measurement (GPM) mission is to improve cold season precipitation measurements in middle and high latitudes through the use of high-frequency passive microwave radiometry. For this, the Weather Research and Forecasting (WRF) model with the Goddard microphysics scheme is coupled with a satellite data simulation unit (WRF-SDSU) that has been developed to facilitate over-land snowfall retrieval algorithms by providing a virtual cloud library and microwave brightness temperature (Tb) measurements consistent with the GPM Microwave Imager (GMI). This study tested the Goddard cloud microphysics scheme in WRF for two snowstorm events, a lake effect and a synoptic event, that occurred between 20 and 22 January 2007 over the Canadian CloudSAT/CALIPSO Validation Project (C3VP) site in Ontario, Canada. The 24h-accumulated snowfall predicted by the WRF model with the Goddard microphysics was comparable to the observed accumulated snowfall by the ground-based radar for both events. The model correctly predicted the onset and ending of both snow events at the CARE site. WRF simulations capture the basic cloud properties as seen by the ground-based radar and satellite (i.e., CloudSAT, AMSU-B) observations as well as the observed cloud streak organization in the lake event. This latter result reveals that WRF was able to capture the cloud macro-structure reasonably well.

Shi, J. J.↗
DOE OSTI2021

Evaluation of Mode Meters Robust to Forced Oscillations using Field-Measured Data

Mode meters are tools used by power system operators to continuously monitor a system's small-signal stability. They do so by estimating the system's electromechanical modes of oscillation. When a system undergoes a forced oscillation, mode meters may become biased because the two types of oscillation cannot be distinguished. Modified mode meter algorithms robust to this bias have been proposed in prior research, but these studies were based primarily on simulated data. In this paper, modified least squares and Yule-Walker mode meter algorithms are evaluated using field-measured data from phasor measurement units (PMUs). Results show that the sensitivities of the least squares algorithm make it impractical for use given the complexities of real-world forced oscillations. However, the modified Yule-Walker algorithm is shown to perform well and has significant potential for practical deployment in mode meter tools.

Follum, James D.↗