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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A hybrid porous model for full reactor core scale CFD investigation of a prismatic HTGR

Three-dimensional (3-D) Computational Fluid Dynamics (CFD) analysis of a whole nuclear reactor core is a tremendous challenge due to the large geometric volume and complex structures. Here, this research presents a hybrid porous (HP) model to simplify a prismatic High Temperature Gas-cooled Reactor (HTGR) core, so 3-D CFD investigation can be performed on a full reactor core scale. In the HP model, the prototypic small coolant channels in the nuclear fuel blocks are lumped together to form multiple equivalent large coolant channels, and then the porous medium flow model is applied to each of them. Therefore, heat transfer in fuel blocks is computed by a hybrid combination of solid energy and porous flow energy equations. The similarity between the HP model and prototypic model is achieved by deriving the porous flow permeability, inertial resistance factor, and artificial thermophysical properties. Compared with the widely used whole porous (WP) flow model, the HP model preserves more realistic geometric structures, and therefore more accurate physical processes. The General Atomics' Modular High Temperature Gas-cooled Reactor (MHTGR) design was chosen as a prototype to demonstrate the methodology. Simulations were performed using the prototypic CFD model and HP model at steady-state forced circulation, steady-state natural circulation, and transient conditions that correspond to normal operation, extended period of pressurized cool down, and short-term transients after reactor shutdown, respectively. The comparison shows good agreement between the HP model and prototypic model in the maximum fuel temperature, average solid temperature, and helium flow rate, which demonstrates the potential applicability of the HP model for a full reactor core scale simulation in the future. As a benefit, the HP model reduces the mesh quantity by a factor of 50 from a prototypic model. Correspondingly, the computation time was reduced by a factor of at least 30.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Transient testing of uranium silicide fuel in zircaloy and silicon carbide cladding

Using the newly restarted Transient Reactor Test (TREAT) facility at Idaho National Laboratories, fresh (unirradiated) U 3 Si 2 fuel pellets were tested under reactivity-initiated accident conditions in dry helium capsules. These tests were performed with total energy depositions sufficient to induce melting of the U 3 Si 2 fuel pellets based on available thermophysical property data. The instrumented experiments utilized in-pile thermocouples and infrared pyrometers to measure the cladding temperature during the transient, which are in reasonable agreement with predicted peak cladding temperatures using a simple BISON fuel performance model. This same model is then used to predict expected cladding stresses during the transients in areas where pellet cladding interaction is expected. It was shown that for transient energy depositions up to 528J/g rod like geometry of the test articles was maintained. While it is acknowledged that more confirmatory testing is required in more prototypic environments, these first of their kind experiments have demonstrated that unirradiated U 3 Si 2 fuel and unirradiated SiC-SiC claddings can likely retain a “rod like” geometry for transient energy depositions up to 528J/g.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Sensitivity analysis of in-pile critical heat flux experiments in TREAT for characterization of RIA power-transient effects

A reactivity-initiated accident (RIA) is one type of postulated design basis accident (DBA) that can cause a departure from nucleate boiling (DNB) event in pressurized-water reactors (PWRs). A DNB occurrence and its consequences depend on the thermophysical properties of the fuel components and coolant, characteristics of the transient energy insertion into the fuel rod, and the onset of the critical heat flux (CHF) phenomenon. To leverage the restart of the Transient Reactor Test (TREAT) Facility, an effort is currently underway to better understand the cladding-to-coolant heat transfer mechanisms and the CHF phenomenon under fast-transient irradiation conditions. This paper characterizes the impact of power transients on the thermal-hydraulic behavior of a TREAT Facility reactor heater rodlet CHF experiment to provide the priority of parameters that need to be investigated for an improved CHF model. Sobol sensitivity analysis methods and the Reactor Excursion and Leak Analysis Program (RELAP5-3D) code were used to identify key input parameters on the uncertainty in the prediction of peak outer- and inner-surface temperatures of the heater tube, as well as the time of the DNB event. A series of sensitivity analyses revealed the total energy deposition on the tube and the transient effects of power pulse had large impacts on the maximum temperatures. The CHF multiplier had the largest impact on the time occurrence of CHF. The overall results show the energy deposition rate in the tube is the most influencing factor to the manifestation of CHF and the resulting thermal-hydraulic behaviors of the tube. The multiplier for the CHF, which is interpreted as the predicted CHF value, has the largest Sobol indices for the time of the CHF in all cases, since it directly determines the occurrence of CHF. It is inferred that the uncertainties in the thermal-hydraulic behaviors of fuels increase with respect to the key parameters as the power pulse becomes broader, and an accurate estimation of the energy deposition rate is required to reduce the uncertainty in the evaluation of the integrity of fuel if the CHF is expected to occur near the peak power. Therefore, the outputs are expected to provide rigorous interpretation of ongoing in-pile CHF experiments in the TREAT Facility reactor regarding thermal-hydraulic behavior of the fuel system aiming for a new transient in-pile CHF model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Reproducible benchmark for the SNAP 8 experimental reactor at operating conditions

This work presents fully reproducible multiphysics benchmark models of the Systems for Nuclear Auxiliary Power (SNAP) 8 Experimental Reactor at operating conditions with coolant flow. Wet experiment (with coolant, at power) validation benchmarks are presented using both deterministic (Serpent-Griffin) and Monte-Carlo (OpenMC-Cardinal) multiphysics frameworks coupled with thermal-hydraulic solvers in MOOSE. Reactivity coefficient measurements including fuel temperature, isothermal temperature, and power coefficients show good agreement with experiments, with discrepancies within experimental uncertainty. Reactivity worth experiments for coolant, samarium, and xenon poisoning are reproduced with differences under 200 pcm. Comparison between Serpent-Griffin and OpenMC-Cardinal frameworks reveal multiphysics coupling introduces positive reactivity effects (100-200 pcm) compared to uniform temperature and density fields at nominal operating conditions. Comparison between Serpent-Griffin and reference Serpent solution shows that power distributions maintain consistent radial and axial peaking behavior. All models, assumptions, thermophysical and thermomechanical properties, and material definitions are thoroughly documented with cited references; model inputs and model generating scripts are stored in the snapReactors GitHub repository.

SNAP↗
DOE OSTI2021

High spatial resolution temperature profile measurements of solid-oxide fuel cells

Temperature gradients resulting from local electrochemical reactions, current distribution and geometry of gas flow channels in solid oxide fuel cells (SOFCs) create thermal stresses, localized thermophysical property gradients and uneven property evolution, contributing to SOFC degradation. This paper presents a new method to perform temperature measurements (up to 800°C) at high spatial resolutions to monitor the operation of SOFCs. Using femtosecond laser irradiation, distributed fiber sensors were hardened for high temperature environment applications. Distributed fiber sensors were embedded in interconnected plates using an additive manufacturing method to perform temperature measurements with 4-mm spatial resolution during the operation of a planar fuel cell. The measurement revealed the impact of various H 2 fuel concentrations and current loads have on temperature profiles of the SOFC tested. Temperature variation on the anode side was found to be less than 5°C, and 3°C on the cathode side. The measurements were compared to results from a multiphysics fuel cell performance model simulating similar conditions. These simulations predicted similar temperature gradients, indicating the experimental data obtained is reasonable. The model also predicts that the effect of the embedded sensor has on the local temperature will be minimal and that the gradient of temperature in the gas channels will be captured despite the separation between the sensor and the gas flow. Finally, the high spatial resolution data harnessed by these distributed fiber sensors provides experimental support for model-based design and optimization to improve the operational efficiency and longevity of solid oxide fuel cells and fuel cell assemblies.

25 ENERGY STORAGE↗
DOE OSTI2024

Coal-derived conductive pavement for winter de-icing: prototype, modeling, and simulation

Existing pavement de-icing methods result in high installation and maintenance costs, traffic delays, excessive weariness and corrosion, and negative environmental and safety impacts. To overcome these challenges, this paper presents an innovative pathway to designing and constructing smart self-heating pavements using a low-cost coal-char bearing asphalt material. The conductive asphalt incorporates coal char, i.e., a key byproduct of the coal pyrolysis process, into the Stone Mastic Asphalt (SMA) mixture. This asphalt containing coal-derived solid carbon exhibits highly tailorable electrical conductivity, satisfactory mechanical and thermophysical properties, and superior cost-efficiency as compared to other conductive pavement materials. The de-icing performance was also demonstrated by laboratory experiments on a bench-scale prototype. Furthermore, an efficient thermal network model was developed and validated by experiments to investigate the transient thermal behavior and energy performance of the Ohmic heating pavement system. Furthermore, the whole-year energy simulation case studies were conducted on a bridge pavement with an annual energy use of 24.6–1444.8 kWh/m 2 , showcasing its potential in field applications across cool humid, cold humid, and subarctic/arctic climate zones.

42 ENGINEERING↗
DOE OSTI2021

Empirical estimation of densities in NaCl-KCl-UCl 3 and NaCl-KCl-YCl 3 molten salts using Redlich-Kister expansion

Densities of molten KCl-NaCl-UCl 3 and KCl-NaCl-YCl 3 ternary systems have been estimated using a multidimensional Redlich-Kister model. Temperature and composition dependent Redlich-Kister functions have been used to generate binary interaction parameters in the outlined ternary salt systems. These binary interactions have been used in the extrapolation to ternary system densities. The results of the density extrapolations by Muggianu interpolation scheme provide agreement within 2–3% for the NaCl-KCl-YCl 3 liquids and 11% in NaCl-KCl-UCl 3 liquids compared to the available experimental data. Modeling NaCl-KCl-UCl 3 molten phase density with a ternary interaction parameter improved the agreement within 4%. Thermophysical modeling used in this study has shown promising results for use in other material properties, such as viscosity, thermal conductivity, and heat capacity of the molten salts. Lastly, the outlined modeling method applied in these specific molten salt ternaries can be used for quaternary or higher multicomponent molten salt systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Data-assisted combustion simulations with dynamic submodel assignment using random forests

This investigation outlines a data-assisted approach that employs random forest classifiers for local and dynamic submodel assignment in turbulent-combustion simulations. This method is demonstrated in simulations of a single-element GOX/GCH4 rocket combustor; a priori as well as a posteriori assessments are conducted to (i) evaluate the accuracy and adjustability of the classifier for targeting different quantities of interest (QoIs), and (ii) assess improvements, resulting from the data-assisted combustion model assignment, in predicting target QoIs during simulation runtime. Results from the a priori study show that random forests, trained with local flow properties as input variables and combustion model errors as training labels, assign three different combustion models – finite-rate chemistry (FRC), flamelet progress variable (FPV) model, and inert mixing (IM) – with reasonable classification performance even when targeting multiple QoIs. Applications in a posteriori studies demonstrate improved predictions from data-assisted simulations, in temperature and CO mass fraction, when compared with monolithic FPV calculations. An additional a posteriori data-assisted simulation of a modified configuration demonstrates that the present approach can be successfully applied to different configurations, as long as thermophysical behavior can be represented by the training data. Furthermore, these results demonstrate that this data-driven framework holds promise for dynamic combustion submodel assignments in reacting flow simulations.

42 ENGINEERING↗
DOE OSTI2024

A numerical method for simulating variable density flows in membrane desalination systems

Here, we present a novel method for simulating unsteady, variable density, fluid flows in membrane desalination systems. By assuming the density varies only with concentration and temperature, the scheme decouples the solution of the governing equations into two sequential blocks. The first solves the governing equations for the temperature and concentration fields, which are used to compute all thermophysical properties. The second block solves the conservation of mass and momentum equations for the velocity and pressure. We show that this is computationally more efficient than schemes that iterate over the full coupled equations in one block. We verify that the method achieves second-order spatial-temporal accuracy, and we use the method to investigate buoyancy-driven convection in a desalination process called vacuum membrane distillation. Specifically, we show that with gravity properly oriented, variations in temperature and concentration can trigger a double-diffusive instability that enhances mixing and improves water recovery. We also show that the instability can be strengthened by providing external heating.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Mechanistic transition of stainless steel 304L corrosion in MgCl 2 phase change material under thermal cycling

Magnesium chloride (MgCl 2 )-based molten salt phase change materials (PCMs) are promising candidates for thermal energy storage (TES) owing to their advantageous thermophysical properties, however, their high corrosivity in the molten state limits material compatibility. In this study, the corrosion behavior of 304?L stainless steel (SS304L) exposed to MgCl2 PCM was investigated as a function of thermal cycling (up to 9000 cycles) relevant to PCM-based TES systems. Microstructural changes and elemental redistribution at the alloy-salt interface under thermal cycling conditions were characterized using synchrotron-based X-ray fluorescence (XRF) and scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDS). Results show that corrosion is governed by selective Cr-dissolution and elemental diffusion near the interface and grain boundaries. A clear transition in the dominant corrosion mechanism is observed with increasing thermal cycles. Surface corrosion is the dominant mechanism up to 1000 cycles, whereas intergranular corrosion becomes the primary degradation mode beyond 2000 cycles. These mechanistic changes are interpreted in terms of evolving interfacial chemistry, microstructure and the diffusion-driven redistribution of alloying elements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multiphase computational fluid dynamics modeling of reacting flows in absorption columns for carbon capture

First-principles derived computational fluid dynamics (CFD) simulations have been proposed as a fundamental tool for investigating solvent-based CO 2 absorption in packed columns due to their ability to accurately represent the underlying nonlinear, multiscale dynamics. Numerous studies have previously utilized such CFD simulations to investigate hydrodynamics of columns with structured and random packings by assessing the key hydrodynamic metrics such as the interfacial and wetted areas. While mapping such metrics for different conditions is essential to the optimization of absorption columns, it is not sufficient, as the CO 2 capture rate depends also on the coupled, nonlinear dynamics from the underlying chemical reaction kinetics, thermodynamics, and heat-transfer rates. In this work, we present detailed CFD simulation results augmented by incorporating the effects of interfacial physical mass transfer of CO 2 , heat release from chemical reaction kinetics, and thermophysical property variations from resulting temperature gradients. We demonstrate the applicability of the proposed approach in numerically assessing the performance of packed columns by evaluating key hydrodynamic quantities, CO 2 absorption rates, and temperature rise in a reference column with packings that are structurally similar to the Sulzer Mellapak™ 250.Y packing, for different solvent inflow velocities and temperatures. Predictions from simulation results are found to be consistent with the trends in experimental observations from the literature, suggesting that the predictive capabilities of the simulation framework can be leveraged to guide the future development of absorber-column designs and optimized process flowsheets.

Absorption columns↗
DOE OSTI2020

Optimizing PCM-integrated walls for potential energy savings in U.S. Buildings

Buildings in the United States account for nearly half of total U.S. energy use. The energy used for space conditioning can be reduced by utilizing thermal energy storage, such as phase change materials (PCMs), into building envelopes; however, the energy savings of PCM-integrated building envelopes reported in the literature vary widely. In the absence of established guidelines, thermophysical requirements of an optimal PCM, its method of application into the building envelope, and the corresponding energy savings under various climates remain unknown. Here, we perform an extensive numerical investigation on the integration of PCM into building walls to establish the key conditions required for effective utilization of PCM in reducing heat gains in the cooling season and heat losses in the heating season. We also determine the optimal transition temperature, optimal PCM location in the wall, and the energy-saving potential of the PCM-integrated building walls in five U.S. cities located in different International Energy Conservation Code climate zones. Results show that employing PCMs in building walls does not always lead to an improvement; in fact, incorrect applications of PCMs can substantially increase energy use in the buildings. In the climates we studied, PCMs were found effective in reducing heat gains during the cooling season while mostly ineffective in managing heat losses during heating season. Depending on the climate, optimized PCMs in U.S. building walls can provide reduction in the annual heat gain in the range of 3.5% to 47.2% and the annual heat loss in the range of -2.8% to 8.3%. Future consideration of buildings with substantial solar gains in winter may lead to more reduction in heat losses by PCMs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗
DOE OSTI2025

Photoionization of seeded combustion products as a method of enhancing the efficiency of magnetohydrodynamic power generators

Here, in this study, we performed an experimental and computational investigation into the feasibility of utilizing photoionization to enhance the electrical conductivity of seeded oxy-fuel combustion products and improve the performance of magnetohydrodynamic (MHD) power generators. We applied a variety of optical and microwave diagnostics to study the ionization and recombination processes of potassium excited by an excimer laser in a high-velocity oxy-fuel free jet. Computational fluid dynamic (CFD) simulations were performed to model the thermophysical properties and species densities of the free jet. The CFD results were validated with position-dependent potassium concentration measurements. Electron recombination exponential lifetimes were measured through time-resolved microwave transmission. The experimental electron lifetimes were compared with lifetimes calculated from CFD-predicted species densities and literature recombination rates. It was determined that K + or O 2 are the most likely recombination partners for photoionized electrons. Time-resolved fluorescence measurements provided evidence of an ionization pathway involving a two-photon ionization of KOH . Finally, a zero-dimensional chemical kinetic model was developed to assess the fundamental viability of inducing a non-equilibrium electron population to provide a net energy return in combustion-driven MHD power generators. We determined that a high energy return is feasible for targeting electrode boundary layers with ultraviolet photoionization. We also found that photoionization could potentially lower the required temperature of the bulk gas flow.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

A methodology for corrosion testing ODS steels in liquid tin under reactor conditions in HFIR

Liquid metal–based divertor concepts have promising attributes for application in fusion reactors. Liquid tin is being considered as one of those liquid metals due to its excellent thermophysical properties. However, tin is extremely corrosive to steels at elevated temperatures, and the coupled effects of corrosion with neutron irradiation for application in fusion reactors have not been quantified. Researchers at Oak Ridge National Laboratory (ORNL) have designed and irradiated a series of capsules in the High Flux Isotope Reactor (HFIR) to help address gaps in the literature with respect to coupled corrosion and neutron irradiation effects. The capsules are filled with solid tin designed to melt due to the gamma heating in HFIR and allow interaction with the specimens. The capsules contain a SiC thermometer for post-irradiation temperature verification. Five capsules were irradiated in HFIR for 10.5 days, accumulating 0.93 dpa in the FeCrAl specimens. Post-irradiation temperature verification was performed on the SiC thermometers, and temperatures were observed to be higher than what was expected from thermal models. An explanation for the model underprediction is given herein. In conclusion, the capsules described within this article are the first to irradiate liquid metal within the HFIR flux trap and demonstrated the safety basis for continued liquid coolant studies in HFIR.

FeCrAl↗
DOE OSTI2023

Uncertain characterization of reservoir fluids due to brittleness of equation of state regression

Equations of state (EoS) play a central role in modeling the phase equilibrium of fluid mixtures. Their parameterization involves fitting a model to experimental data, i.e., solving a nonlinear, non-convex, multivariate optimization problem. The latter requires one to select design variables, domains of definition for each variable, and weights assigned to individual measurements. We demonstrate that subjective choices of an optimization algorithm and an initial guess also impact the regression process. Consequently, EoS predictions are fundamentally uncertain even after the EoS tuning to a limited set of experimental data points. We demonstrate this observation for two hydrocarbon reservoir fluids, in which five properties of the heaviest carbon fraction are treated as design variables. While all the optimization algorithms and initial guesses match experimental data for the gas and liquid properties, the resulting EoS parameterizations lead to dramatically different predictions of the fluid’s thermophysical behavior in the unsampled pressure and temperature regions. In conclusion, we propose the probabilistic treatment of design variables to quantify the predictive uncertainty of the resulting fluid models.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Deposit geometry and oxygen concentration spatial variations due to composition change in printed functionally graded components

Functionally graded materials (FGMs) with site specific chemical composition are commonly manufactured by directed energy deposition (DED). Although previous work fabricated an FGM with a compositional variation between a ferritic and austenitic alloy, difficulties arose due to variations in deposit shape with composition change. This problem also occurs for FGMs in literature; however, unlike other cases, the thermophysical properties of these two alloys were similar throughout the build. Here, we investigate the role of chemical composition and surface-active elements on deposit geometry during the manufacture of FGMs by laser DED. Single-track experiments for the relevant FGM compositions are analyzed with results from a well-tested, three-dimensional, transient numerical heat transfer and fluid flow model and thermodynamic calculations. Experiments showed deposit shape varied as a function of composition for constant laser power and scan speed. Thermodynamic analysis indicated that the oxygen solubility in the fusion zone varied significantly for each composition used for the FGM. Numerical modeling revealed that the change in fluid flow caused by Marangoni convection due to dissolved oxygen in the fusion zone were mainly responsible for the changes in deposit shape observed in experiments. Finally, because oxygen can be introduced into the fusion zone through the feedstock as well as the surrounding atmosphere, these findings elucidate a previously unconsidered aspect of process control during DED fabrication of FGMs.

36 MATERIALS SCIENCE↗