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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Corrosion behavior of Monofrax K-3 refractory in borosilicate-based model low activity waste glass melts

Owing to its good chemical and thermal durabilities at high temperatures, Monofrax K-3 refractory is widely used in nuclear waste vitrification as a lining material in melting vessels. However, the corrosion of K-3 refractory during the vitrification of nuclear waste is a serious problem because it affects the melter's safety, performance, and lifetime. Therefore, in the present study, we have focused on unearthing the impact of glass network formers, such as SiO 2 , B 2 O 3 , and Al 2 O 3 , in a model nuclear waste glass composition on the corrosion of Monofrax K-3 refractory. The corrosion tests have been performed per ASTM C621 at 1150°C for 5 days. The dimensional measurements on corroded K-3 refractory suggest that Al 2 O 3 and SiO 2 tend to reduce the refractory corrosion (neck loss), with the effect of Al 2 O 3 being significant. A corroded region on the K-3 refractory at the melt–refractory interface is observed. The corrosion occurs via a coupling of the melt infiltration induced by a capillary effect and the dissolution of Al, Mg, and Fe components from K-3 into the melt through chemical reactions. A Cr-rich layer is retained on the glass contact surface of the corroded K-3 refractory.

36 MATERIALS SCIENCE↗
DOE OSTI2025

CRN Modeling of Ammonia RQL Combustion using a Partially-Stirred Reactor Approach

Ammonia is a promising alternative to hydrogen with high energy density and favorable storage and transport characteristics. However low flammability and a propensity for high nitrogen oxide (NOx) emissions make direct utilization challenging. Recently, two-stage rich-quench-lean (RQL) combustion strategies have shown promise in achieving low NOx emissions with ammonia. In this approach, the rich stage serves to oxidize a portion of the fuel, while thermally decomposing as much of the remaining ammonia as possible, generating hydrogen. In the second (lean) stage, air is rapidly introduced, burning out the hydrogen and residual ammonia. Two-stage RQL combustion of ammonia has been investigated in the open literature both experimentally and numerically. In general, idealized chemical reactor network (CRN) models predict NOx concentrations below that of 2D/3D computational fluid dynamics models and experiments. The primary drivers of these discrepancies may be largely attributed to finite rate mixing non-adiabatic operation. The typical CRN model is comprised of a perfectly-stirred-reactor (PSR), followed by a plug-flow-reactor (PFR), meant to represent the flame, and post-flame zones, respectively. In the two-stage RQL approach two PSR-PFR networks are arranged sequentially, corresponding to the rich and lean stages, with secondary air injection in between. In the authors’ past work, this arrangement has demonstrated the significant sensitivity of exit NOx to the rich stage equivalence ratio, while the amount of secondary air injection was shown to be less critical. In this paper, the CRN model is extended to (1) include the impacts of heat loss and (2) utilize a partially-stirred-reactor (PaSR) approach to study the impacts of mixing on emissions performance. Varying amounts of heat loss are applied to the rich relaxation zone to understand emissions performance and changes to optimization of equivalence ratio and residence time. Premixed and non-premixed configurations are considered in the rich stage PaSR, with varying degrees of mixing intensity to study the interaction between mixing, transport, and kinetic timescales. Critically, the impact of mixing between hot products and secondary air injection is studied to understand practical injector needs. Results show unburnt ammonia leaving the rich stage as a primary contributor to NOx emissions – driven both by increased heat loss and reduced mixing rates. Furthermore, heat losses have shown to create conditions which are conducive to increased N2O formation in the lean stage. The results of this study will be considered in the context of developing optimized two-stage RQL combustors for ammonia..

advanced gas turbines↗
DOE OSTI2022

Machine-learning-assisted high-temperature reservoir thermal energy storage optimization

High-temperature reservoir thermal energy storage (HT-RTES) has the potential to become an indispensable component in achieving the goal of the net-zero carbon economy, given its capability to balance the intermittent nature of renewable energy generation. In this study, a machine-learning-assisted computational framework is presented to co-optimize the performance metrics of HT-RTES by combining physics-based simulation with stochastic hydrogeologic formation and thermal energy storage operation parameters, artificial neural network regression of the simulation data, and genetic algorithm-enabled multi-objective optimization. A doublet well configuration with a layered (aquitard-aquifer-aquitard) generic reservoir is simulated for cases of continuous operation and seasonal-cycle operation scenarios. Further, neural network-based surrogate models are developed for the two scenarios and applied to generate the Pareto fronts of the HT-RTES performance for four potential HT-RTES sites. The developed Pareto optimal solutions indicate the performance of HT-RTES is operation-scenario (i.e., fluid cycle) and reservoir-site dependent, and the performance metrics have competing effects for a given site and a given fluid cycle. The developed neural network models can be applied to identify suitable sites for HT-RTES, and the proposed framework sheds light on the design of resilient HT-RTES systems.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Surrogate Model of Flexible Research Platform EnergyPlus Models to Enable Sensitivity Analysis

This letter report describes the surrogate models developed from the EnergyPlus model of Oak Ridge National Laboratory’s Flexible Research Platform. Two data-driven black-box models were developed, and the outputs of the surrogate models were compared with the EnergyPlus model. The two models developed are a multilayer perceptron deep learning model, and a long short-term memory (LSTM) neural network model. The three factors for selecting the black-box models are scalability, computation time, and accuracy. A total of 107 input variables were the dominant variables in determining the outputs of building energy consumptions and thermal comfort. A total of 54 output variables were identified as the prediction targets, including the system- and zone-level outputs. The large set of the simulation cases were generated by integrating sensor errors into an emulator based on EnergyPlus and Python EMS, which includes advanced control sequences from ASHRAE Guideline 36-2018: High-Performance Sequences of Operation. The surrogate models were developed based on a set of large-scale simulation runs (i.e., 4,000 runs) on a cloud platform. The comparison analysis shows that the two black-box models had good accuracy for predicting new outputs for sensitivity analysis using the root mean square error metric. As a next step, the developed surrogate models will be used to perform sensitivity analysis for different sensor impacts (e.g., sensor types, sensor locations).

42 ENGINEERING↗
NASA NTRS1992

Activities relating to understanding the initiation, organization and structure of moist convection in the Southeast environment

In the spring and summer of 1986, NASA/Marshall Space Flight Center (MSFC) will sponsor the Satellite Precipitation And Cloud Experiment (SPACE) to be conducted in the Central Tennessee, Northern Alabama, and Northeastern Mississippi area. The field program will incorporate high altitude flight experiments associated with meteorological remote sensor development for future space flight, and an investigation of precipitation processes associated with mesoscale and small convective systems. In addition to SPACE, the MIcroburst and Severe Thunderstorm (MIST) program, sponsored by the National Science Foundation (NSF), and the FAA-Lincoln Laboratory Operational Weather Study (FLOWS), sponsored by the Federal Aviation Administration (FAA), will take place concurrently within the SPACE experiment area. All three programs (under the joint acronym COHMEX (COoperative Huntsville Meteorological EXperiment)) will provide a data base for detailed analysis of mesoscale convective systems while providing ground truth comparisons for remote sensor evaluation. The purpose of this document is to outline the experiment design criteria for SPACE, and describe the special observing facilities and data sets that will be available under the COHMEX joint program. In addition to the planning of SPACE-COHMEX, this document covers three other parts of the program. The field program observations' main activity was the operation of an upper air rawinsonde network to provide ground truth for aircraft and spacecraft observations. Another part of the COHMEX program involved using boundary layer mesoscale models to study and simulate the initiation and organization of moist convection due to mesoscale thermal and mechanical circulations. The last part of the program was the collection, archival and distribution of the resulting COHMEX-SPACE data sets.

Mcnider, Richard T.↗
NASA NTRS2002

Health Monitoring of Thermal Barrier Coatings by Mid-Infrared Reflectance

Mid-infrared (MIR) reflectance is shown to be a powerful tool for monitoring the integrity of 8wt% yttria-stabilized zirconia (8YSZ) thermal barrier coatings (TBCs). Because of the translucent nature of plasma-sprayed 8YSZ TBCs, particularly at MIR wavelengths (3 to 5 microns), measured reflectance does not only originate from the TBC surface, but contains strong contributions from internal scattering within the coating as well as reflectance from the underlying TBC/substrate interface. Therefore, changes in MIR reflectance measurements can be used to monitor the progression of TBC delamination. In particular, MIR reflectance is shown to reproducibly track the progression of TBC delamination produced by repeated thermal cycling (to 1163 C) of plasma-sprayed 8YSZ TBCs on Rene N5 superalloy substrates. To understand the changes in MIR reflectance with the progression of a delamination crack network, a four-flux scattering model is used to predict the increase in MIR reflectance produced by the introduction of these cracks.

Eldridge, J. I.↗
NASA NTRS2002

Health Monitoring of Thermal Barrier Coatings by Mid-Infrared Reflectance

Mid-infrared (MIR) reflectance is shown to be a powerful tool for monitoring the integrity of 8wt% yttria-stabilized zirconia (8YSZ) thermal barrier coatings (TBCs). Because of the translucent nature of plasma-sprayed 8YSZ TBCs at MIR wavelengths (3 to 5 pm), measured reflectance does not only originate from the TBC surface, but contains strong contributions from internal scattering within the coating as well as reflectance from the underlying TBC/substrate interface. Therefore, changes in MIR reflectance measurements can be used to monitor the progression of TBC delamination. In particular, MIR reflectance is shown to reproducibly track the progression of TBC delamination produced by repeated thermal cycling (to 1163 C) of plasma-sprayed 8YSZ TBCs on Rene N5 superalloy substrates. To understand the changes in MIR reflectance with the progression of a delamination crack network, a four-flux scattering model is used to predict the increase in MIR reflectance produced by the introduction of these cracks.

Eldridge, J. I.↗
NASA NTRS2013

NASA Tech Briefs, Februrary 2013

Topics covered include: Measurements of Ultra-Stable Oscillator (USO) Allan Deviations in Space; Gaseous Nitrogen Orifice Mass Flow Calculator; Validation of Proposed Metrics for Two-Body Abrasion Scratch Test Analysis Standards; Rover Low Gain Antenna Qualification for Deep Space Thermal Environments; Automated, Ultra-Sterile Solid Sample Handling and Analysis on a Chip; Measuring and Estimating Normalized Contrast in Infrared Flash Thermography; Spectrally and Radiometrically Stable, Wideband, Onboard Calibration Source; High-Reliability Waveguide Vacuum/Pressure Window; Methods of Fabricating Scintillators With Radioisotopes for Beta Battery Applications; Magnetic Shield for Adiabatic Demagnetization Refrigerators (ADR); CMOS-Compatible SOI MESFETS for Radiation-Hardened DC-to-DC Converters; Silicon Heat Pipe Array; Adaptive Phase Delay Generator; High-Temperature, Lightweight, Self-Healing Ceramic Composites for Aircraft Engine Applications; Treatment to Control Adhesion of Silicone-Based Elastomers; High-Temperature Adhesives for Thermally Stable Aero-Assist Technologies; Rockballer Sample Acquisition Tool; Rock Gripper for Sampling, Mobility, Anchoring, and Manipulation; Advanced Magnetic Materials Methods and Numerical Models for Fluidization in Microgravity and Hypogravity; Data Transfer for Multiple Sensor Networks Over a Broad Temperature Range; Using Combustion Synthesis to Reinforce Berms and Other Regolith Structures; Visible-Infrared Hyperspectral Image Projector; Three-Axis Attitude Estimation With a High-Bandwidth Angular Rate Sensor Change_Detection.m; AGATE: Adversarial Game Analysis for Tactical Evaluation; Ionospheric Simulation System for Satellite Observations and Global Assimilative; Modeling Experiments (ISOGAME); An Extensible, User- Modifiable Framework for Planning Activities; Mission Operations Center (MOC) - Precipitation Processing System (PPS) Interface Software System (MPISS); Automated 3D Damaged Cavity Model Builder for Lower Surface Acreage Tile on Orbiter; Mixed Linear/Square-Root Encoded Single-Slope Ramp Provides Low-Noise ADC with High Linearity for Focal Plane Arrays; RUSHMAPS: Real-Time Uploadable Spherical Harmonic Moment Analysis for Particle Spectrometers; Powered Descent Guidance with General Thrust-Pointing Constraints; X-Ray Detection and Processing Models for Spacecraft Navigation and Timing; and Extreme Ionizing-Radiation-Resistant Bacterium

Source record↗
DOE OSTI2021

Mechanical Behavior of Hybrids with Hyper-Connected Molecular Networks

Our research is focused on fundamental studies related to the molecular design, synthesis, characterization and modeling of molecular-reinforced hybrid glass films for superior mechanical and fracture properties. Molecular-reinforced hybrid glass films exhibit unique electro-optical properties while maintaining excellent thermal stability. They have important technological application for emerging nanoscience and energy technologies including anti-reflective and ultra-barrier layers in photovoltaics, display technologies, as well as quantum technologies. However, they are often inherently brittle in nature, do not adhere well to adjacent substrates, and exhibit poor mechanical properties. Furthermore, a robust understanding of the underlying mechanisms of deformation, fracture and fatigue has been lacking particularly given their mechanically fragile nature. The related lack of structure-property relationships between molecular structure, mechanical properties and processing represents a fundamental challenge to their integration into device technologies, compromises their thermomechanical reliability and has thwarted efforts to improve mechanical and, particularly, fracture properties.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Modeling Ring-Opening Polymerization with Machine-Learned Committors

Many important industrial and biological processes depend on ring-opening polymerization (ROP), including large-scale production polymers, such as nylon 6, and a variety of biodegradable polymers and high-performance resins. Large-scale simulations (>200K atoms) of ROP were performed using a deep neural network-based method that captured the effect of the local chemical environment of the reactive sites using training data from quantum chemical methods. The utility of this method was demonstrated by modeling the cationic ROP of bis-benzoxazine, a promising resin for use in advanced high-temperature application composites (>200°C). Density functional theory calculations were used to map out the various ring opening and polymerization reaction paths that occur during the thermal processing of bis-benzoxazine. The probabilities of these reactions, as a function of local atomic configurations, were used to construct committor functions using a neural network approach. The learned committor functions were then used to determine when a particular reaction occurred within the REACTER framework for reactive molecular dynamics simulations. The experimentally observed exotherm that occurs during bis-benzoxazine ROP was captured in an effective manner in the simulations by imposing a local heating of the system that corresponds to the enthalpy of reaction for each reaction. The dependence of the final polymer morphology on the ROP reaction temperature was analyzed at the molecular scale. The results presented in this work indicate that machine-learned committor functions are a promising approach for incorporating high-fidelity reactivity criteria that capture the effect of local chemical environments into large-scale polymerization simulations.

machine learning, polymer simulations, molecular d↗
DOE OSTI2024

Modeling and Optimization of a Nuclear Integrated Energy System for the Remote Microgrid on El Hierro

Nuclear microreactors are a potential technology to provide heat and electricity for remote microgrids. There is potential for the microgrid on the island of El Hierro to use a microreactor, within an integrated energy system (IES), to generate electricity and provide desalinated water. This work proposes a workflow for optimizing and analyzing IESs for microgrids. In this study, an IES incorporating a microreactor, thermal energy storage (TES) system, combined heat and power plant, and a thermal desalination plant was designed, optimized, and analyzed using Idaho National Laboratory’s Framework for Optimization of Resources and Economics (FORCE) toolset. The optimization tool, Holistic Energy Resource Optimization Network (HERON), was used to determine the optimal capacity sizes and dispatch for the reactor and thermal energy storage systems to meet demand. The optimized reactor and TES sizes were found to be 11.61 MWth and 58.47 MWhth, respectively, when optimizing the IES to replace 95% of the island’s existing diesel generation needs. A dynamic model of the system was created in the Modelica language, using models from the HYBRID repository, to analyze and verify the dispatch from the optimizer. The dynamic model was able to meet the ramp rates while maintaining reactor power with minimal control adjustments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

A hierarchical framework for aggregating grid-interactive buildings with thermal and battery energy storage

The behind-the-meter (BTM) thermal and battery energy storage can help improve energy efficiency, reduce energy costs, and enhance energy resilience, particularly in rural areas and for disadvantaged communities. Aggregating numerous BTM energy storage systems can act as a price influencer with a significant source of load shifting and peak demand reduction. An integrated and scalable control mechanism is required to effectively utilize energy storage systems and flexible building loads to maximize the economic benefits, considering various distribution system constraints. Here, this paper presents an innovative hierarchical coordination framework for energy storage and flexible load in buildings, considering various factors such as electricity prices, thermal comfort, and distribution system modeling and constraints. At the upper level, a distribution system operator optimizes the power flow to minimize its power procurement costs from the electricity wholesale market, while at the lower level, aggregators determine the optimal dispatch of battery and thermal energy storage systems in multiple buildings on behalf of end-users to minimize operating costs according to the power prices. These problems are solved using a game-theoretic approach through negotiations between the distribution system operator and aggregators as a bi-level decision model. Simulation case studies have been performed for a test distribution network with a number of building end-users using energy storage systems to quantify the performance of aggregators. The results demonstrate that the proposed strategy can reduce peak load for a reliable electricity distribution network while saving electricity bills for customers.

25 ENERGY STORAGE↗
DOE OSTI2025

AI‐Driven Defect Engineering for Advanced Thermoelectric Materials

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient, and thermal conductivity, which are further complicated by the presence of defects. This review explores how artificial intelligence (AI) and machine learning (ML) are transforming thermoelectric materials design. Advanced ML approaches including deep neural networks, graph-based models, and transformer architectures, integrated with high-throughput simulations and growing databases, effectively capture structure-property relationships in a complex multiscale defect space and overcome the “curse of dimensionality”. This review discusses AI-enhanced defect engineering strategies such as composition optimization, entropy and dislocation engineering, and grain boundary design, along with emerging inverse design techniques for generating materials with targeted properties. Finally, it outlines future opportunities in novel physics mechanisms and sustainability, highlighting the critical role of AI in accelerating the discovery of thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Self-consistent equilibrium and transport simulations for NSTX-U plasmas enhanced via machine learning surrogate models

The Control-Oriented Transport SIMulator (COTSIM) is an advanced equilibrium and transport code designed for simulating tokamak discharges at computational speeds suitable for control applications. COTSIM’s modular framework enables users to select models that balance accuracy with speed according to specific needs, allowing the code to operate from fast to faster-than-real-time performance levels. This work presents recent enhancements to COTSIM’s predictive accuracy for NSTX-U scenarios, achieved by integrating neural-network-based surrogate models and self-consistent equilibrium calculations. To improve source deposition predictions, a surrogate model for NUBEAM has been incorporated. Additionally, a surrogate model for the Multi-Mode Module (MMM) now supports predictions of anomalous thermal, momentum, and particle diffusivities—key factors for modeling the evolution of temperature and rotation. Each surrogate model was specifically trained for the NSTX-U operational regime to enhance COTSIM’s accuracy while maintaining computational efficiency. Moreover, COTSIM now couples fixed-boundary equilibrium solvers with its transport solvers, enabling self-consistent predictions of plasma profiles and equilibrium evolution over the discharge. Simulation results demonstrate strong agreement between COTSIM and TRANSP predictions for NSTX-U discharges. These substantial advancements expand COTSIM’s utility in model-based control applications for NSTX-U. Potential applications include simultaneous optimization of equilibrium and transport scenarios, integration into digital twins, real-time profile estimation (e.g., temperature and rotation) from limited or noisy measurements, and advanced feedback-based scenario control.

Equilibrium and transport modeling↗
DOE OSTI2022

Machine learning-based optimization of air-cooled heat sinks

Machine learning-based models using Artificial Neural Network (ANN) and greedy search algorithm are used to optimize air-cooled parallel plate-finned heat sinks (PPFHSs) subjected to laminar flow over an extensive range of design parameters. Here, the thermal and hydraulic performances of PPFHSs are represented by heat transfer coefficient (h) and pressure drop (ΔP), respectively. Optimization objectives for PPFHS designs can vary from industry to industry depending on their design priorities. The present study proposes a novel and generalized optimization method that defines practical optimization objectives and provides an accurate optimization process to design effective PPFHSs for a wide range of industrial applications with different design requirements. Three optimization objectives are presented in this study: (i) the largest h PΔ, (ii) the largest h within a specified maximum allowed flow rate, and (iii) the lowest weight that maximizes h for operation within the maximum allowed flow rate. While the shortcoming of the first objective is demonstrated, the other two objectives are found to be suitable for designing effective heat sinks (HSs) across different applications. Results suggest a promising trend from the third objective to develop HSs with ~ 37-68% lower weight, 80-85% reduced ΔP, and negligible penalty in h compared with optimized HSs obtained from the second objective. However, since the third objective leads to HSs with thinner fins, structural analysis should be performed to ensure reliable operation of the HSs.

42 ENGINEERING↗
DOE OSTI2024

Community Geothermal: Soil Conductivity, Borehole Design, Energy Models, and Load Data for a Residential System Development - Hinesburg, VT

This dataset contains materials from the Coalition for Community-Supported Affordable Geothermal Energy Systems (C2SAGES) project, which evaluated the techno-economic feasibility of a community geothermal system for a residential development in Hinesburg, VT. The dataset includes detailed soil conductivity test reports, energy models, borehole design reports, hourly energy loads for heating, cooling, and hot water, and design layouts. EnergyPlus was used to model building energy loads, and Modelica software was applied for geothermal loop sizing based on these loads and soil conductivity results. Python scripts for network design further refined the models. Key files include PDF reports on borehole design (with projections for 1-year, 15-year, and 30-year systems), soil conductivity test results, EnergyPlus modeling outputs, and 2D/3D design drawings in PDF, DWG, and DXF formats. Python notebooks for network design and OnePipe model files are also provided, with Modelica required for viewing certain files. Outputs and modeling data are in various formats including CSV, JPG, HTML, and IDF, with units and data clearly labeled to support understanding of system design and performance for the proposed geothermal solution.

15 GEOTHERMAL ENERGY↗
NASA NTRS1999

Interfacing a General Purpose Fluid Network Flow Program with the SINDA/G Thermal Analysis Program

A general purpose, one dimensional fluid flow code is currently being interfaced with the thermal analysis program Systems Improved Numerical Differencing Analyzer/Gaski (SINDA/G). The flow code, Generalized Fluid System Simulation Program (GFSSP), is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development is conducted in multiple phases. This paper describes the first phase of the interface which allows for steady and quasi-steady (unsteady solid, steady fluid) conjugate heat transfer modeling.

Schallhorn, Paul↗
DOE OSTI2022

An optimization framework for the network design of advanced district thermal energy systems

In this work, a topology optimization framework for district thermal energy systems is presented. The framework seeks to address the questions, for a given district, "What is the best subset of buildings to connect to a district thermal energy system, and by what network should they be connected, to minimize life cycle cost?" A particle swarm optimization approach is validated to address the selection of the subset of buildings, and a graph theory-based heuristic is validated for selection of the network topology for any candidate subset of buildings. The framework is applied to a prototypical urban district for illustrative purposes. Additionally, modeling of prototypical districts revealed reductions in source energy use intensity for heating and cooling of 21-25% through the use of advanced district energy systems relative to code-compliant, building level systems. The framework identifies solutions with life cycle cost values 14% to 72% lower than that of base case scenarios based on conventional design approaches, depending on the base case scenario selected. Analysis of the search space indicates that topology optimization facilitates reductions in life cycle cost, source energy use intensity, and carbon emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗