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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Challenge Problem 1: Preliminary Model Development and Assessment of Flexible Heat Transfer Modeling Approaches

This report presents the modeling progress of a university consortium studying flexible modeling for turbulent heat transfer. In the context of advanced nuclear reactor design, where challenges include non-unity Prandtl fluids, free and mixed convection, and transitional flow, computational fluid dynamics methods are underutilized due to low confidence in modeling approaches and high computational cost. This report evaluates the performance of engineering CFD models in diabatic, buoyant turbulent flow. It finds that all turbulence models including several variants of the k-ε and k-ω models struggle to predict accurate turbulent momentum and heat transfer in such flows. The Nusselt numbers have been compared between the models and the DNS data, where calculations have been performed for each case and trends have shown a good agreement between DNS estimated Nusselt numbers and available correlations as well as experimental data. A novel DNS correlation for high Pr cases as they are transitioning from mixed convection to natural convection has been proposed. While Nusselt number errors relative to DNS range from 20% to 50%, the models capture similar trends to DNS with respect to Nusselt suppression and amplification under varying levels of buoyancy effect. This report also highlights model form error as a significant contributor to CFD predictions and proposes a framework for quantifying model error and improving confidence in CFD calculations. To improve the predictive capability of engineering CFD models, data-driven approaches for turbulence models are investigated. Theoretical frameworks based on the invariant tensor / vector basis neural networks for prediction of Reynolds stresses and turbulent heat fluxes are employed. The models are developed using direct numerical simulations data for forced convection flows of different fluids in vertical planar channel domain. The framework is implemented in spectral element solvers Nek5000 / nekRS and has shown a potential for future development and consideration of mixed convection flows.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

ATF material model development and validation for priority fuel concepts

Development, implementation, and validation of material and behavior models for accident tolerant fuel (ATF) concepts in the Bison fuel performance code began in 2014 in response to the events that occurred at the Fukushima Daichii nuclear power plant in March 2011. Early on the focus was on U 3 Si 2 fuel and FeCrAl cladding as part of a high impact problem through the Nuclear Energy and Advanced Modeling Simulation (NEAMS) program. Then, developments for Cr 2 O 3 -doped UO 2 fuel, and SiC-SiC and Cr-coated zirconium-based claddings began based upon industry interests. In late fiscal year 2018 the Consortium for Advanced Simulation of Light Water Reactors (CASL) took over further ATF work in Bison in support of the Nuclear Regulatory Commission (NRC) engagement. Discussions with the NRC identified their list of priority fuel and cladding concepts, which included Cr 2 O 3 -doped UO 2 and U 3 Si 2 fuels, and Cr-coated zirconium-based and FeCrAl claddings. In particular, the NRC suggested that reports similar in form to NUREG/CR-7024 [1] that was developed for traditional LWR materials UO 2 and zirconium-based claddings (i.e., Zircaloy-4, M5®, ZIRLO) be created for the priority ATF concepts. The approach to ATF capability development in Bison since the beginning has been two-fold: (1) empirical correlations and (2) multiscale model development. Both approaches have uncertainty inherent to them. Uncertainty in empirical correlations is bounded by the experimental data upon which with the correlation was developed. Models developed through a multiscale approach have uncertainty associated with the lower length scale calculations and input parameters that must be propagated to the engineering scale model in Bison. In this report, the recommended models, their range of applicability (e.g., temperature, burnup), and associated uncertainty for the NRC priority fuel concepts Cr 2 O 3 -doped UO 2 and U 3 Si 2 are presented in a manner similar to the aforementioned NUREG. In addition, the Cr 2 O 3 -doped UO 2 models are validated to the Halden Reactor tess IFA-677.1 rods 1 and 5 and IFA-716.1 rod 1. For U 3 Si 2 the models are validated to the recent post-irradiation examination (PIE) data ATF-13 and ATF-15 rods that were irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory. Finally, an uncertainty quantification (UQ) and sensitivity analysis (SA) is completed on a single rod for each fuel concept that takes into account the defined uncertainty in select models. The results of the UQ and SA analyses indicate that given the large uncertainty in some of the input ATF models that the uncertainty on the Bison predictions of fuel performance metrics of interest bound the available experimental data. Correlation coefficients are also reported that identified the uncertain inputs with the strongest correlation (positive or negative) with the outputs of interest. Fuel performance metrics investigated include fuel elongation, rod internal pressure, fuel centerline temperature, and fission gas release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

ATF material model development and validation for priority cladding concepts

Development, implementation, and validation of material and behavior models for accident tolerant fuel (ATF) concepts in the Bison fuel performance code began in 2014 in response to the events that occurred at the Fukushima Daichii nuclear power plant in March 2011. Early on the focus was on U 3 Si 2 fuel and FeCrAl cladding as part of a high impact problem through the Nuclear Energy and Advanced Modeling Simulation (NEAMS) program. Then, developments for Cr 2 O 3 -doped UO 2 fuel, and SiC-SiC and Cr-coated zirconium-based claddings began based upon industry interests. In late fiscal year 2018 the Consortium for Advanced Simulation of Light Water Reactors (CASL) took over further ATF work in Bison in support of the Nuclear Regulatory Commission (NRC) engagement. Discussions with the NRC identified their list of priority fuel and cladding concepts, which included Cr 2 O 3 -doped UO 2 and U 3 Si 2 fuels, and Cr-coated zirconium-based and FeCrAl claddings. In particular, the NRC suggested that reports similar in form to NUREG/CR-7024 that was developed for traditional LWR materials UO 2 and zirconium-based claddings (i.e., Zircaloy-4, M5 ® , ZIRLO TM ) be created for the priority ATF concepts. The approach to ATF capability development in Bison since the beginning has been two-fold: (1) empirical correlations and (2) multiscale model development. Both approaches have uncertainty inherent to them. Uncertainty in empirical correlations is bounded by the experimental data upon which with the correlation was developed. Models developed through a multiscale approach have uncertainty associated with the lower length scale calculations and input parameters that must be propagated to the engineering scale model in Bison. In this report, the recommended models, their range of applicability (e.g., temperature, fluence), and associated uncertainty for the NRC priority clad concepts Cr-coated zirconium based clad and FeCrAl are presented in a manner similar to the aforementioned NUREG. In addition, in the absence of experimental data for validation, demonstration cases are presented that investigate the ballooning and burst behavior of Cr-coated and FeCrAl clads as well as tritium permeation in FeCrAl. A portion of the study by Gamble et al. on FeCrAl failure is also revisited with the latest updated models. First, the nominal results are shown using the as implemented models. Then a sensitivity analysis and uncertainty quantification is performed to assess the impact of the uncertainties in the models on the parameters of interest. For the Cr-clad ballooning case the parameter of interest is the time to burst. For the revisited FeCrAl study, the parameter of interest is the pressure at burst.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Important ice processes are missed by the Community Earth System Model (CESM) in Southern Ocean mixed–phase clouds: Bridging SOCRATES observations to model developments

Global climate models (GCMs) are challenged by difficulties in simulating cloud phase and cloud radiative effect over the Southern Ocean (SO). Some of the new generation GCMs predict too much liquid and too little ice in mixed-phase clouds. This misrepresentation of cloud phase in GCMs results in weaker negative cloud feedback over the SO and a higher climate sensitivity. Based on a model comparison with observational data obtained during the Southern Ocean Cloud Radiation and Aerosol Transport Experimental Study (SOCRATES), this study addresses a key uncertainty in the Community Earth System Model version 2 (CESM2) related to cloud phase, namely ice formation in pristine remote SO clouds. It is found that sea spray organic aerosols (SSOA) are the most important type of ice nucleating particles (INPs) over the SO with concentrations one order of magnitude higher than those of dust INPs based on measurements and CESM2 simulations. Secondary ice production (SIP) which includes riming splintering, rain droplet shattering, and ice-ice collisional fragmentation as implemented in CESM2 is the dominant ice production process in moderately cold clouds with cloud temperatures greater than –20°C. SIP enhances the in-cloud ice number concentrations (Ni) by 1-3 orders of magnitude and predicts more mixed-phase (with percentage occurrence increased from 15% to 21%), in better agreement with the observations. Finally, this study highlights the importance of accurately representing cloud phase over the pristine remote SO by considering the ice nucleation of SSOA and SIP processes, which are currently missing in most GCM cloud microphysics parameterizations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Improving Wind Energy Forecasting through Numerical Weather Prediction Model Development

The primary goal of the Second Wind Forecast Improvement Project (WFIP2) is to advance the state-of-the-art of wind energy forecasting in complex terrain. To achieve this goal, a comprehensive 18-month field measurement campaign was conducted in the region of the Columbia River basin. The observations were used to diagnose and quantify systematic forecast errors in the operational High-Resolution Rapid Refresh (HRRR) model during weather events of particular concern to wind energy forecasting. Examples of such events are cold pools, gap flows, thermal troughs/marine pushes, mountain waves, and topographic wakes. WFIP2 model development has focused on the boundary layer and surface-layer schemes, cloud–radiation interaction, the representation of drag associated with subgrid-scale topography, and the representation of wind farms in the HRRR. Additionally, refinements to numerical methods have helped to improve some of the common forecast error modes, especially the high wind speed biases associated with early erosion of mountain–valley cold pools. This study describes the model development and testing undertaken during WFIP2 and demonstrates forecast improvements. Specifically, WFIP2 found that mean absolute errors in rotor-layer wind speed forecasts could be reduced by 5%–20% in winter by improving the turbulent mixing lengths, horizontal diffusion, and gravity wave drag. The model improvements made in WFIP2 are also shown to be applicable to regions outside of complex terrain. Ongoing and future challenges in model development will also be discussed.

17 WIND ENERGY↗
DOE OSTI2026

Flow Reactor Study and Kinetic Model Development of HEFA-SPK and its Surrogate

In this work, we formulate a two-component surrogate for HEFA-SPK, incorporating aromatic or cycloalkane components, and develop reduced kinetic models for the surrogates to be used in high-performance computing simulations. The HEFA-SPK surrogate was selected and optimized based on the fuel's physical and combustion properties, including ignition delay times and flame speeds. The resulting surrogate consists of 40% n-undecane and 60% 2-methylnonane. The surrogate was confirmed by flow reactor experiments for both the HEFA-SPK fuel and the suggested two-component surrogates, where excellent agreement was observed. To meet aromatic requirements, 1,2,4-trimethylbenzene (8%) was selected, and we determined that incorporating 30% propylcyclohexane into the HEFA-SPK will achieve a volume swell equivalent to 8% aromatics. The properties of the surrogates were measured, and a new reduced kinetic model was developed based on the semi-decoupling methodology, using a reduced CH4 chemistry from NUIG 1.0 as base chemistry. Kinetic models will be employed in combustor simulations to enable a comprehensive understanding of the effect of SAF fuel properties on aviation combustor performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Intelligent Surrogate Model Development: Boosting Computational Efficiency for Autonomous Control of Advanced Reactors

Advanced reactors promise enhanced safety, greater efficiency, and waste reductions. To fully realize these benefits, it is crucial to address the need for autonomous or semi-autonomous control systems that require fewer operators. This research primarily supports the MARVEL autonomous control system, which requires real-time operation. However, the current RELAP5 reactor thermal hydraulic transient simulation is excessively time-consuming. Therefore, this study aims to leverage deep learning techniques to develop a surrogate model, providing a more efficient and accurate alternative for real-time performance. The model was trained using a combination of one-timestep prediction and scheduled sampling. It was then used for recursive prediction of the reactor state. This developed surrogate model significantly improves computational efficiency, achieving a 12 times acceleration.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2026

1995 OMPO Model Development Project

The 1995 Oahu Metropolitan Planning Organization (OMPO) Model Development Project for Oahu Island was intended to document how Oahu residents use the streets, highways, and transit services in the region. These data were used to develop the Travel Demand Forecasting Model, which is used to forecast the traffic impacts of various land use changes. The survey collected complete travel information of 4,060 Oahu households for a 24-hour period, including demographic and socioeconomic data.

1Hz data↗
DOE OSTI2016

Collaborative Project: The problem of bias in defining uncertainty in computationally enabled strategies for data-driven climate model development. Final Technical Report.

The objective of the project is to develop strategies for better representing scientific sensibilities within statistical measures of model skill that then can be used within a Bayesian statistical framework for data-driven climate model development and improved measures of model scientific uncertainty. One of the thorny issues in model evaluation is quantifying the effect of biases on climate projections. While any bias is not desirable, only those biases that affect feedbacks affect scatter in climate projections. The effort at the University of Texas is to analyze previously calculated ensembles of CAM3.1 with perturbed parameters to discover how biases affect projections of global warming. The hypothesis is that compensating errors in the control model can be identified by their effect on a combination of processes and that developing metrics that are sensitive to dependencies among state variables would provide a way to select version of climate models that may reduce scatter in climate projections. Gabriel Huerta at the University of New Mexico is responsible for developing statistical methods for evaluating these field dependencies. The UT effort will incorporate these developments into MECS, which is a set of python scripts being developed at the University of Texas for managing the workflow associated with data-driven climate model development over HPC resources. This report reflects the main activities at the University of New Mexico where the PI (Huerta) and the Postdocs (Nosedal, Hattab and Karki) worked on the project.

58 GEOSCIENCES↗
DOE OSTI2020

Developing a common approach for classifying building stock energy models

Buildings contribute 40% of global greenhouse gas emissions; therefore, strategies that can substantially reduce emissions from the building stock are key components of broader efforts to mitigate climate change and achieve sustainable development goals. Models that represent the energy use of the building stock at scale under various scenarios of technology deployment have become essential tools for the development and assessment of such strategies. Within the past decade, the capabilities of building stock energy models have improved considerably, while model transferability and sharing has increased. Given these advancements, a new scheme for classifying building stock energy models is needed to facilitate communication of modeling approaches and the handling of important model dimensions. In this article, we present a new building stock energy model classification framework that leverages international modeling expertise from the participants of the International Energy Agency's Annex 70 on Building Energy Epidemiology. Drawing from existing classification studies, here we propose a multi-layer quadrant scheme that classifies modeling techniques by their design (top-down or bottom-up) and degree of transparency (black-box or white-box); hybrid techniques are also addressed. The quadrant scheme is unique from previous classification approaches in its non-hierarchical organization, coverage of and ability to incorporate emerging modeling techniques, and treatment of additional modeling dimensions. The new classification framework will be complemented by a reporting protocol and online registry of existing models as part of ongoing work in Annex 70 to increase the interpretability and utility of building stock energy models for energy policy making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Automatic building energy model development and debugging using large language models agentic workflow

Building energy modeling (BEM) is a complex process that demands significant time and expertise, limiting its broader application in building design and operations. While Large Language Models (LLMs) agentic workflow have facilitated complex engineering processes, their application in BEM has not been specifically explored. This paper investigates the feasibility of automating BEM using LLM agentic workflow. Here, we developed a generic LLM-planning-based workflow that takes a building description as input and generates an error-free EnergyPlus building energy model. Our robust workflow includes four core agents: 1) Building Description Pre-Processing, 2) IDF Object Information Extraction, 3) Single IDF Object Generator Suite, and 4) IDF Debugging Agent. These agents divide the complex tasks into manageable sub-steps, enabling LLMs to generate accurate and reliable results at each stage. The case study demonstrates the successful translation of a building description into an error-free EnergyPlus model for the iUnit modular building at the National Renewable Energy Laboratory. The effectiveness of our workflow surpasses: 1) naive prompt engineering, 2) other LLM-based workflows, and 3) manual modeling, in terms of accuracy, reliability, and time efficiency. The paper concludes with a discussion on the interplay between foundational models and LLM agent planning design, advocating for the use of fine-tuned, specialized models to advance this field.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Hybrid Solid Oxide Fuel Cell/Gas Turbine Model Development for Electric Aviation

A thermodynamic model was developed and validated to analyze a high-performance solid oxide fuel cell and gas turbine (SOFC-GT) hybrid power system for electric aviation. This study used a process simulation software package (ProMax) to study the role of SOFC design and operation on the feasibility and performance of the hybrid system. Standard modules, including compressor, turbine, heat exchanger, reforming reactor, and combustor were used from the ProMax tool suite while a custom module was created to simulate the SOFC stack. The model used an SOFC test data set as an input. Additional SOFC stack performance effects, such as pressure, temperature, and utilization of air and fuel, were added from open source data. System performance predictors were SOFC specific power, fuel-to-electricity conversion efficiency, and hybrid system efficiency. Using these input data and predictors, a static thermodynamic performance model was created that can be modified for different system configurations and operating conditions. Prior to creating the final aircraft performance model, initial demonstration models were developed to validate output results. We used the NASA SOFC model as a benchmark, which was created with their Numerical Propulsion System Simulator (NPSS) software framework. Our output results matched within 1% of both the NASA model and open source SOFC performance data. With confidence gained in the accuracy of this model, a 1-MW SOFC-GT hybrid power system was constructed for an aircraft propulsion concept. Overall hybrid system efficiencies of > 75% FTE were observed during standard 36,000 feet cruise flight conditions.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Quality control for community-based sea-ice model development

A new collaborative organization for sea-ice model development, the CICE Consortium, has devised quality control procedures to maintain the integrity of its numerical codes' physical representations, enabling broad participation from the scientific community in the Consortium's open software development environment. Using output from five coupled and uncoupled configurations of the Los Alamos Sea Ice Model, CICE, we formulate quality control methods that exploit common statistical properties of sea-ice thickness, and test for significant changes in model results in a computationally efficient manner. New additions and changes to CICE are graded into four categories, ranging from bit-for-bit amendments to significant, answer-changing upgrades. These modifications are assessed using criteria that account for the high level of autocorrelation in sea-ice time series, along with a quadratic skill metric that searches for hemispheric changes in model answers across an array of different CICE configurations. These metrics also provide objective guidance for assessing new physical representations and code functionality.

58 GEOSCIENCES↗
DOE OSTI2015

Thermal model development and validation for rapid filling of high pressure hydrogen tanks

This paper describes the development of thermal models for the filling of high pressure hydrogen tanks with experimental validation. Two models are presented; the first uses a one-dimensional, transient, network flow analysis code developed at Sandia National Labs, and the second uses the commercially available CFD analysis tool Fluent. These models were developed to help assess the safety of Type IV high pressure hydrogen tanks during the filling process. The primary concern for these tanks is due to the increased susceptibility to fatigue failure of the liner caused by the fill process. Thus, a thorough understanding of temperature changes of the hydrogen gas and the heat transfer to the tank walls is essential. The effects of initial pressure, filling time, and fill procedure were investigated to quantify the temperature change and verify the accuracy of the models. In this paper we show that the predictions of mass averaged gas temperature for the one and three-dimensional models compare well with the experiment and both can be used to make predictions for final mass delivery. Furthermore, due to buoyancy and other three-dimensional effects, however, the maximum wall temperature cannot be predicted using one-dimensional tools alone which means that a three-dimensional analysis is required for a safety assessment of the system.

42 ENGINEERING↗
DOE OSTI2022

Combustion Kinetics Model Development & Fluid Property Experimental Investigation For Improved Design Of Supercritical CO 2 Power Cycle Components

Supercritical carbon dioxide (sCO 2 ) cycles are being investigated for the future of power generation and will contribute to a carbon-neutral future to combat the effects of climate change. These direct-fired closed cycles will produce power without adding significant pollutants to the atmosphere. For such cycles to be efficient, they will need to operate at significantly higher pressures (e.g., 300 atm for Allam Cycle) than existing systems (typically less than 40 atm). There is limited knowledge on combustion at these high pressures and with a high dilution of carbon dioxide. Also, various experimental and computational investigations and model developments have been performed by the University of Central Florida (UCF), Embry-Riddle Aeronautical University (ERAU), and Stanford University (S.U.) to improve the current knowledge base and support the design and development of sCO 2 combustors. This project's technical aspects include chemical kinetics development, fundamental sCO 2 combustion, combustion model and sub-model development, supercritical fluid injection characterization, and heat transfer characterization.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2016

Multiple soil nutrient competition between plants, microbes, and mineral surfaces: model development, parameterization, and example applications in several tropical forests

Soil is a complex system where biotic (e.g., plant roots, micro-organisms) and abiotic (e.g., mineral surfaces) consumers compete for resources necessary for life (e.g., nitrogen, phosphorus). This competition is ecologically significant, since it regulates the dynamics of soil nutrients and controls aboveground plant productivity. Here we develop, calibrate and test a nutrient competition model that accounts for multiple soil nutrients interacting with multiple biotic and abiotic consumers. As applied here for tropical forests, the Nutrient COMpetition model (N-COM) includes three primary soil nutrients (NH 4 + , NO 3 − and PO x ; representing the sum of PO 4 3− , HPO 4 2− and H 2 PO 4 − ) and five potential competitors (plant roots, decomposing microbes, nitrifiers, denitrifiers and mineral surfaces). The competition is formulated with a quasi-steady-state chemical equilibrium approximation to account for substrate (multiple substrates share one consumer) and consumer (multiple consumers compete for one substrate) effects. N-COM successfully reproduced observed soil heterotrophic respiration, N 2 O emissions, free phosphorus, sorbed phosphorus and NH 4 + pools at a tropical forest site (Tapajos). The overall model uncertainty was moderately well constrained. Our sensitivity analysis revealed that soil nutrient competition was primarily regulated by consumer–substrate affinity rather than environmental factors such as soil temperature or soil moisture. Our results also imply that under strong nutrient limitation, relative competitiveness depends strongly on the competitor functional traits (affinity and nutrient carrier enzyme abundance). We then applied the N-COM model to analyze field nitrogen and phosphorus perturbation experiments in two tropical forest sites (in Hawaii and Puerto Rico) not used in model development or calibration. Under soil inorganic nitrogen and phosphorus elevated conditions, the model accurately replicated the experimentally observed competition among nutrient consumers. Although we used as many observations as we could obtain, more nutrient addition experiments in tropical systems would greatly benefit model testing and calibration. In summary, the N-COM model provides an ecologically consistent representation of nutrient competition appropriate for land BGC models integrated in Earth System Models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Progress Report on SAM Reduced-Order Model Development for Thermal Stratification and Mixing during Reactor Transients

This report documents the initial progress on the reduced-order flow model developments in SAM for thermal stratification and mixing modeling. Two different modeling approaches are pursued. The first one is based on one-dimensional fluid equations with additional terms accounting for the thermal mixing from both flow circulations and turbulent mixing. The second approach is based on three-dimensional coarse-grid CFD approach, in which the full three-dimensional fluid conservation equations are modeled with closure models to account for the effects of turbulence.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Model Development for Thermal-Hydrology Simulations of a Full-Scale Heater Experiment in Opalinus Clay

Disposal of commercial spent nuclear fuel in a geologic repository is studied. In situ heater experiments in underground research laboratories provide a realistic representation of subsurface behavior under disposal conditions. Here, this study describes process model development and modeling analysis for a full-scale heater experiment in opalinus clay host rock. The results of thermal-hydrology simulation, solving coupled nonisothermal multiphase flow, and comparison with experimental data are presented. The modeling results closely match the experimental data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗