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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Ground-based measurements of water vapor in the middle atmosphere

We present measurements of the middle atmospheric water vapor mixing ratio profile obtained using the ground-based Naval Research Laboratory (NRL) water vapor millimeter-wave spectrometer (WVMS) instrument at the Jet Propulsion Laboratory (JPL) Table Mountain Observatory. The measurements cover a period of 262 days from January 23, 1992, to October 13, 1992. During this campaign it was possible to retrieve useful daily mixing ratio profiles for 186 days. We thus have a nearly continuous record of water vapor mixing ratios for altitudes from approximately equals 35 to 75 km. The retrievals are obtained using the optimal estimation method. Details of the error analysis are presented, and a technique is introduced that reduces baseline effects and helps to estimate the baseline error. The high-altitude (greater than or approx. equal to 65 km) data show a sharp rise prior to the expected maximum near the summer solstice and a gradual decline in the following months. The mixing ratios generally peak between 55 and 65 km, at which point the mixing ratios are 6 - 7 parts per million by volume. The highest peaks occur in January, May, and October.

Nedoluha, Gerald E.↗
NASA NTRS2014

InGaP Heterojunction Barrier Solar Cells

A new solar cell structure called a heterojunction barrier solar cell is described. As with previously reported quantum-well and quantum-dot solar cell structures, a layer of narrow band-gap material, such as GaAs or indium-rich InGaP, is inserted into the depletion region of a wide band-gap PN junction. Rather than being thin, however, the layer of narrow band-gap material is about 400-430 nm wide and forms a single, ultrawide well in the depletion region. Thin (e.g., 20-50 nm), wide band-gap InGaP barrier layers in the depletion region reduce the diode dark current. Engineering the electric field and barrier profile of the absorber layer, barrier layer, and p-type layer of the PN junction maximizes photogenerated carrier escape. This new twist on nanostructured solar cell design allows the separate optimization of current and voltage to maximize conversion efficiency.

Welser, Roger E.↗
NASA NTRS2024

Experimental Results for Mars Rotorcraft Airfoils (roamx-0201 and clf5605) at Low Reynolds Number and Compressible Flow in a Mars Wind Tunnel

Experimental results are obtained for a roamx-0201 type airfoil and the clf5605 airfoil at highsubsonic, low Reynolds number conditions using the Tohoku University Mars Wind Tunnel, Japan. The tests are conducted at a Mach number of M = 0.60, and a Reynolds number of Re = 20,000 to reflect representative aerodynamics of a rotor blade for Mars exploration. The angle of attack is varied between α = −2.0 deg and α = 6.0 deg. The roamx-0201 type airfoil is an unconventional airfoil optimized for the chosen tunnel operating conditions using the Evolutionary aLgorithm for Iterative Studies of Aeromechanics (ELISA), developed under the Rotor Optimization for the Advancement of Mars eXploration (ROAMX) project. ELISA is utilized here to optimize aerodynamic airfoil performance using a Genetic Algorithm and two-dimensional high-fidelity CFD simulations, ultimately resulting in a Pareto-optimal airfoil set. The clf5605 airfoil is the outboard airfoil used on the Ingenuity Mars Helicopter and provides a baseline against which the roamx-0201, as well as possible future airfoil profiles for the compressible low Reynolds number regime, can be compared against. Lift and drag data are recorded using a balance, pressure distributions are obtained using Pressure Sensitive Paint (PSP) application, and Schlieren images are obtained to visualize the flowfield. The data is tabulated to aid future research.

Roamx↗
DOE OSTI2021

ADMS Test Bed Updates

This webinar will present results from a joint project with utility partner Xcel Energy in which we evaluated their ADMS application for volt-var optimization using different levels of model quality. We were able to help Xcel Energy understand the trade-offs of telemetry measurements and model quality when managing a feeder's voltage profile to maximize energy conservation. We simulated scenarios with varying levels of model quality and measurement density to evaluate Xcel's options for best using its ADMS. The results help Xcel and other utilities understand how network data affects voltage management as grid operations see continued growth in solar photovoltaic (PV) systems and electric vehicles (EVs).

ADMS↗
NASA NTRS2016

Runway Scheduling for Charlotte Douglas International Airport

This paper describes the runway scheduler that was used in the 2014 SARDA human-in-the-loop simulations for CLT. The algorithm considers multiple runways and computes optimal runway times for departures and arrivals. In this paper, we plan to run additional simulation on the standalone MRS algorithm and compare the performance of the algorithm against a FCFS heuristic where aircraft avail of runway slots based on a priority given by their positions in the FCFS sequence. Several traffic scenarios corresponding to current day traffic level and demand profile will be generated. We also plan to examine the effect of increase in traffic level (1.2x and 1.5x) and observe trends in algorithm performance.

runway scheduling↗
DOE OSTI2025

Predicting Dynamic-to-Static Correction Factor from Petrophysical Data and Chemostratigraphy using Unsupervised Machine Learning

Estimating static mechanical properties of stratigraphic layers is critical for optimizing subsurface engineering applications. To estimate dynamic-to-static correction factor F ds (static-to-dynamic Young’s modulus ratio) across the Caney shale interval in Oklahoma, USA, we integrated triaxial test measurements and petrophysical data, including well logs and X-ray fluorescence (XRF) using unsupervised machine learning (ML). We used a novel workflow that includes principal component analysis (PCA) to reduce data set dimensionality of well logs and XRF data sets—both separately and combined—creating three scenarios, and later applied inverse distance weighting (IDW) to derive F ds profiles for these scenarios. Furthermore, we applied K-means clustering on each scenario to predict depositional facies, and built a stiffness zonation profile through chemostratigraphic analysis of the terrigenous elements to validate the predicted F ds . The predicted F ds profile from each scenario using the PCA-IDW method was compared with the constant F ds approach from our previous study by calculating the root mean square error (RMSE). The combined data sets scenario yielded the lowest RMSE value of 0.113, while the RMSE values for the well logs and XRF scenarios were 0.131 and 0.129, respectively. In addition, the predicted F ds from the XRF scenario well-matched the stiffness zonation from the chemostratigraphic analysis that was built using the optimized K-means clustering of nine clusters for that scenario. These methods and findings offer a valuable tool for refining lithological classification and improving the F ds profile, potentially enhancing drilling and stimulation strategies for subsurface energy engineering applications.

clastic rock↗
DOE OSTI2025

Development of a Digital Twin for Hydrogen Dispersion and Safety Assessment in an Electrolyzer Based Hydrogen Production Facility

Digital twin models are virtual representations of physical systems that use real-time data to simulate and optimize performance. This study presents the development and initial implementation of a digital twin (DT) for the electrolyzer-based hydrogen production facility at NREL's Advanced Research on Integrated Energy Systems (ARIES), focused on enhancing safety and optimizing sensor placement through physics-based simulations and metadata integration. The DT incorporates detailed facility-specific information, including component layout, leak locations, and controlled release parameters, to model hydrogen dispersion under varying environmental conditions. Using steady-state computational fluid dynamics (CFD) simulations informed by real meteorological data, such as wind speed, direction, and vertical wind profiles, the DT enables visualization of hydrogen plume behavior and spatial concentration distributions. Comparative analysis between high and low wind speed scenarios illustrates the significant influence of wind dynamics on plume shape and extent, with horizontal momentum dominating dispersion at higher speeds, while buoyancy effects become more prominent under low wind conditions. These simulations generate a rich dataset embedded within the DT, allowing users to assess potential leak outcomes and identify optimal sensor locations based on concentration thresholds. The model supports scenario-based analysis to guide safety strategies and equipment deployment for open-area hydrogen infrastructure. The digital twin thus serves as a dynamic platform for virtual prototyping, providing predictive insight into hydrogen behavior and enhancing risk-informed decision-making. This initial phase establishes a validated foundation for future integration of transient, uncontrolled leak scenarios and real-time sensor feedback, positioning the DT as a critical tool for safety design, operational planning, and adaptive monitoring in hydrogen systems. Overall, the approach demonstrates the value of combining environmental data with digital simulations to inform safer and more efficient deployment of hydrogen technologies.

08 HYDROGEN↗
DOE OSTI2026

Development of a Digital Twin for Hydrogen Dispersion and Safety Assessment in an Electrolyzer-Based Hydrogen Production Facility: Preprint

Digital twin models are virtual representations of physical systems that use real-time data to simulate and optimize performance. This study presents the development and initial implementation of a digital twin (DT) for the electrolyzer-based hydrogen production facility at the National Renewable Energy Laboratory (NREL)'s Advanced Research on Integrated Energy Systems (ARIES), focused on enhancing safety and optimizing sensor placement through physics-based simulations and metadata integration. The DT incorporates detailed facility-specific information, including component layout, leak locations, and controlled release parameters, to model hydrogen dispersion under varying environmental conditions. Using steady-state computational fluid dynamics (CFD) simulations informed by real meteorological data, such as wind speed, direction, and vertical wind profiles, the DT enables visualization of hydrogen plume behavior and spatial concentration distributions. Comparative analysis between high and low wind speed scenarios illustrates the significant influence of wind dynamics on plume shape and extent, with horizontal momentum dominating dispersion at higher speeds, while buoyancy effects become more prominent under low wind conditions. These simulations generate a rich dataset embedded within the DT, allowing users to assess potential leak outcomes and identify optimal sensor locations based on concentration thresholds. The model supports scenario-based analysis to guide safety strategies and equipment deployment for open-area hydrogen infrastructure. The digital twin thus serves as a dynamic platform for virtual prototyping, providing predictive insight into hydrogen behavior and enhancing risk-informed decision-making. This initial phase establishes a validated foundation for future integration of transient, uncontrolled leak scenarios and real-time sensor feedback, positioning the DT as a critical tool for safety design, operational planning, and adaptive monitoring in hydrogen systems. Overall, the approach demonstrates the value of combining environmental data with digital simulations to inform safer and more efficient deployment of hydrogen technologies.

08 HYDROGEN↗
DOE OSTI2024

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing multiple performance properties and the scarcity of high-fidelity data. Here, we present a machine learning model (DRXNet) for battery informatics and demonstrate the application in the discovery and optimization of disordered rocksalt (DRX) cathode materials. We have compiled the electrochemistry data of DRX cathodes over the past 5 years, resulting in a dataset of more than 19,000 discharge voltage profiles on diverse chemistries spanning 14 different metal species. Learning from this extensive dataset, our DRXNet model can capture critical features in the cycling curves of DRX cathodes under various conditions. Our approach offers a data-driven solution to facilitate the rapid identification of novel cathode materials, accelerating the development of next-generation batteries for carbon neutralization.

25 ENERGY STORAGE↗
DOE OSTI2021

Converting tabular data into images for deep learning with convolutional neural networks

Abstract Convolutional neural networks (CNNs) have been successfully used in many applications where important information about data is embedded in the order of features, such as speech and imaging. However, most tabular data do not assume a spatial relationship between features, and thus are unsuitable for modeling using CNNs. To meet this challenge, we develop a novel algorithm, image generator for tabular data (IGTD), to transform tabular data into images by assigning features to pixel positions so that similar features are close to each other in the image. The algorithm searches for an optimized assignment by minimizing the difference between the ranking of distances between features and the ranking of distances between their assigned pixels in the image. We apply IGTD to transform gene expression profiles of cancer cell lines (CCLs) and molecular descriptors of drugs into their respective image representations. Compared with existing transformation methods, IGTD generates compact image representations with better preservation of feature neighborhood structure. Evaluated on benchmark drug screening datasets, CNNs trained on IGTD image representations of CCLs and drugs exhibit a better performance of predicting anti-cancer drug response than both CNNs trained on alternative image representations and prediction models trained on the original tabular data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Computational Fluid Dynamics Analysis of the Molten Salt Tritium Transport Experiment Test Section

Tritium, a radionuclide produced through neutron capture by lithium and other elements (beryllium and fluoride) in molten salts, presents unique challenges to radionuclide release. This is true for both fusion energy breeder blankets and molten salt fission reactors. The fundamental understanding of tritium transport is crucial to the safe design and operation of these reactors. The Molten Salt Tritium Transport Experiment (MSTTE), currently under construction at Idaho National Laboratory, aims to investigate tritium transport phenomena using a forced-convection fluoride salt loop. This loop is designed to study various transport mechanisms, such as permeation through metals and gas-liquid interactions, and is intended to support future research on tritium extraction units. A critical aspect of the MSTTE loop design is ensuring a fully developed velocity profile before the fluid reaches the permeation test section where measurements are made. This study employs computational fluid dynamics to model the salt flow behavior within the MSTTE permeation test section. A realizable k-ε turbulent model with enhanced wall treatment is used to simulate the single-phase, vertical upward flow of molten salt FLiNaK under isothermal conditions. The simulation results indicated flow distortion and underdeveloped profiles at all planned flow rates within the test section due to the 85-deg sharp bend. To address this issue, a reduced diameter with a reducer and expander and a flow conditioner are investigated to achieve fully developed flow. The analysis showed that the flow conditioner successfully corrected the flow profile, achieving fully developed behavior at a flow rate of 50 liters per minute (LPM). In conclusion, this research enhances our understanding of flow dynamics in molten salt systems and contributes to optimizing tritium transport control technologies.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

TRINIDI: Time-of-Flight Resonance Imaging With Neutrons for Isotopic Density Inference

Accurate reconstruction of 2D and 3D isotope densities is a desired capability with great potential impact in applications such as evaluation and development of next-generation nuclear fuels. Neutron time-of-flight (TOF) resonance imaging offers a potential approach by exploiting the characteristic neutron absorption spectra of each isotope. However, it is a major challenge to compute quantitatively accurate images due to a variety of confounding effects such as severe Poisson noise, background scatter, beam non-uniformity, absorption non-linearity, and extended source pulse duration. We present the TRINIDI algorithm which is based on a two-step process in which we first estimate the neutron flux and background counts, and then reconstruct the areal densities of each isotope and pixel. Both components are based on the inversion of a forward model that accounts for the highly non-linear absorption, energy-dependent emission profile, and Poisson noise, while also modeling the substantial spatio-temporal variation of the background and flux. Further, to do this, we formulate the non-linear inverse problem as two optimization problems that are solved in sequence. We demonstrate on both synthetic and measured data that TRINIDI can reconstruct quantitatively accurate 2D views of isotopic areal density that can then be reconstructed into quantitatively accurate 3D volumes of isotopic volumetric density.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Prediction of DIII-D Pedestal Structure From Externally Controllable Parameters

The sharp increase of pressure at the edge of a high confinement mode (H-mode) plasma, the pedestal, strongly impacts overall plasma performance. Predicting the pedestal is a necessity to control and optimize tokamak operations. Here, an experimental data-driven machine learning (ML) approach is presented that predicts the pedestal heights and widths of electron density (n e ) and electron temperature (T e ) profiles as well as the separatrix ne from externally controllable parameters such as the plasma shape, heating method and power, and gas puff rate and integrated gas puff. The OMFIT framework was used with DIII-D data to efficiently, robustly, and automatically build a database of pedestal parameters to train machine learning models. Database creation was enabled by the search engine tool for DIII-D data, TokSearch, which parallelizes data fetching, enabling fast searches through basic signals of thousands of DIII-D shots and selection of relevant time intervals. Principal Component Analysis (PCA) separated the database into three clusters that represent classes of plasma shapes that are regularly used in DIII-D. The most important parameters for setting the pedestal structure were plasma current (I p ), toroidal magnetic field (B Φ ), neutral beam heating power (P NBI ) and shaping quantities. The Deep Jointly Informed Neural Networks (DJINN) algorithm was applied to identify suitable neural network (NN) architectures that appropriately capture the features of the pedestal database. Separate NNs were implemented for each pedestal parameter, and ensembling methods were used to improve the prediction accuracy and allowed estimation of the prediction uncertainty. The pedestal predictions of the test dataset lie within the measurement uncertainties of the pedestal parameters. The NN outperformed simple Linear Regression (LR) analysis, indicating non-linear dependencies in the pedestal structure. The presented achievements illustrate a promising path for future research, using feature extraction to infer experimental trends and thereby improve pedestal models as well as deploying NN for a fast pedestal prediction in DIII-D scenario development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Analytical Model of Atomic Layer Deposition of Films on 3D Structures with High Aspect Ratios

A theoretical model has been suggested that makes it possible to predict the profile of a film deposited on the walls of a high aspect ratio structure (trench) by atomic layer deposition versus the deposition parameters. In addition, the model allows one to calculate the optimal time of precursor doping that provides the conformal coating of the trench walls. The deposition of films with different thicknesses has been described by an approximant that includes two asymptotical deposition conditions with different relationships between the precursor molecule sticking coefficient and aspect ratio of the trench.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

AToM (Advanced Tokamak Modeling)

This final report for the AToM project documents the contributions from General Atomics over the period 1 September 2014 to 31 August 2017. This includes significant progress on the development of tokamak integrated modeling frameworks (OMFIT and IPS), and development of new workflows for computing plasma profile (temperature, density, etc) evolution. Significant effort was also carried out in the high-performance computing arena, by adding the COGENT edge-simulation code to the AToM portfolio, and performing optimization of the CGYRO plasma turbulence code. Issues of data management and user outreach are also documented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Modular SOEC System for Efficient H 2 Production at High Current Density

The overall objective of the project was to demonstrate the potential of Solid Oxide Electrolysis Cell (SOEC) systems to produce hydrogen at a cost of $\$$2.00/kg H 2 or less (excluding delivery, compression, storage, and dispensing). An additional objective of the project was to enhance Solid Oxide Electrolysis Cell (SOEC) stack endurance and impart subsystem robustness for operation on load profiles compatible with intermittent renewable energy sources. The project was designed to achieve the overall objectives through a multi-disciplinary approach that included SOEC stack and materials development, systems development and optimization, techno-economic analyses, and ultimately the demonstration of a > 4 kg H 2 /day SOEC system. The scope of work included research and development efforts to develop an advanced, high temperature, water splitting (HTWS) system with superior performance and durability relative to the current state-of-the-art. In support of the aforementioned goals, the project activities included: 1) Develop and test cell materials with improved endurance at high current densities; 2) Design and fabricate a >4 kg H 2 /day SOEC stack optimized for high efficiency operation in the range of 1 - 2 A/cm 2 ; 3) Perform stack testing under simulated system conditions; 4) Perform systems analysis including configuration and parametric studies, to maximize SOEC system efficiency and minimize H 2 production costs; 5) Develop the conceptual design of a >4 kg H 2 /day thermally self-sustaining SOEC demonstration system including stack module and balance of plant (BoP).

08 HYDROGEN↗
NASA NTRS1998

Computational Modeling of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the hewn. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗
NASA NTRS1998

Computational Nonlinear of Vertical-Cavity Surface-Emitting Lasers

Vertical-Cavity Surface-Emitting Lasers (VCSELs) have become increasingly important for many applications, such as optical interconnects and optical data storages. In many applications, critical requirements are very often high beam quality and/or high output powers. To help the design and optimization of VCSELs for such applications, it is essential to have a simulation model that includes the time evolution of the transverse space dependence of the beam. Such models allow arbitrary transverse profiles of laser intensity or carrier density to develop in time without any a priori assumption about the number and types of transverse modes. In addition, extensive research in the past has shown that many-body effects are important in influencing the optical gain and the refractive index of semiconductor quantum wells. It is thus important to include the key many-body effects in simulation models for semiconductor lasers. A computational model, called the Maxwell-Effective Bloch Equations (MEBE) was developed recently that simulates the above features and effects. This model combines the space-time resolution with microscopic many-body effects in a way that is both accurate enough and computationally manageable. This model has been used to simulate edge-emitting high power lasers recently. A new finite-difference algorithm has been developed for solving these equations and will be shown in the presentation. That algorithm will be used to calculate the detailed time evolution of the transverse mode profiles of VCSELs. The VCSELs are based on InGaAs/GaAs quantum well structures. Effects of pumping current and refractive index profiles will be investigated in detail. The simulation results will be compared with other results the use the rate-equation model.

Goorjian, Peter M.↗