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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 OSTI2025

A heat and mass transfer model for evaluation of damaged cesium chloride radiological sources

Radiological sources are vital to many applications, and typically contain byproducts from waste streams which decay over time to form complex mixtures of elements. Daughter products resulting from these decay processes can introduce complicating factors to the integrity and safety of the vessel that contains the radiological material. Sources containing cesium 137 ( 137 Cs) are of particular interest, because the decay of this isotope produces barium metal which reacts readily and exothermically with oxygen. This work employs physics-based numerical tools to examine the thermal response of a radiological source containing a mixture of cesium and barium in the event that vessel walls are damaged and atmospheric gases contact source material. A parametric study was conducted to determine the sensitivity of the response to various factors, including vessel geometry, source material age, the degree of vessel damage, and other parameters. Here, it was found that the peak temperatures that occurred within the source material strongly depend on these parameters, particularly vessel geometry and age, which determine whether a breach would be a relatively minor accident or a catastrophic incident. Finally, the model’s sensitivity to uncertain thermophysical properties is discussed.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Propagation of Input Uncertainties in Numerical Simulations of Laser Powder Bed Fusion

Laser powder bed fusion has the potential of redefining state-of-the-art processing and production methods, but defect formation and inconsistent build quality have limited the implementation of this process. Numerical models are widely used to study this process and predict the formation of these defects. Presently, the uncertainties of model input parameters and thermophysical properties used by these numerical simulations have not been investigated. In the present study, the uncertainty in these input parameters and material properties are quantified for laser powder bed fusion, with and without a simulated powder bed, to determine their influence on the predictive accuracy of an experimentally validated numerical model. Accounting for all possible sources of uncertainty quickly becomes computationally expensive on account of the curse of dimensionality. Uncertainty in laser absorption, solid, and liquid specific heat of the metal were found to have the largest effect on model prediction reliability with or without the use of a powder bed. Results also illustrate that accounting for these three uncertain parameters still captures the majority of model prediction uncertainty. Furthermore, the methodology of this study may be used to understand the uncertainty in as-built microstructure through propagation to microstructure prediction models, or applied under processing conditions where high Péclet numbers are observed and the thermal convection and fluid flow within the molten pool are substantial.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Deposition Height Prediction in Directed Energy Deposition

Using 316L stainless steel as a model material, reduced-order models are developed to predict capture efficiency, deposition height, and site-specific hardness in directed energy deposition. Capture efficiency is predicted over a 15 to 55 pct range using a dimensionless number derived from processing conditions and thermophysical properties. Deposition height is predicted over a 0.3 to 1.3 mm range without in situ sensing or prior training data, using two models based on the same mass and energy-balance principles. Predictions are compared with machine learning approaches. A quantitative relationship links deposition height, primary dendrite arm spacing (PDAS), and hardness: heights of 0.3 to 1.1 mm correspond to PDAS values of 2.7 to 5.1 µm and Vickers hardness (HV) of 160 to 219. Thinner layers cool more rapidly, producing finer microstructures and higher hardness. Samples fabricated with in situ variations in deposition height exhibited up to 55 HV differences between thick and thin regions, demonstrating that local control of deposition height enables predictive, site-specific hardness within a single build. These results establish deposition height prediction as a pathway for a priori process design and property control in directed energy deposition for 316L stainless steel.

Kunkel, William [Univ. of Wisconsin, Madison, WI (↗
DOE OSTI2020

Other Power Reactor Fuels

While oxide fuels have received the bulk of historic interest as power reactor fuels, a range of other uranium compounds and deployment architectures have also been considered and demonstrated to varying degrees. Metal alloys, technical ceramics, and oxycarbide or oxynitride particle fuels are candidates for various power reactor applications. Although in general these families of nuclear fuels have received more limited study than oxides, the benefits of uranium density, favorable thermophysical properties, and other factors have resulted in interest from both the traditional nuclear power industry as well as more recent entrepreneurial efforts. The dominant fuel chemistry issues for these fuel forms differ substantially from those of oxide systems. Synthesis routes, factors that affect fresh fuel properties, and critical aspects of fuel performance are unique to these systems and often dominated by the desired chemical behavior of uranium in each system. This chapter will briefly introduce metallic uranium alloys, specifically uranium-zirconium, non-traditional ceramic fuels such as carbides and nitrides, and oxycarbide/oxynitride particle fuels most familiar as the basis for TRISO fuel designs. A survey of major fuel chemistry issues is provided for each of these families of fuels, with a focus on contemporary challenges and active research avenues.

Nelson, Andrew↗
DOE OSTI2022

Evaluating the intrinsic resistance to balling of alloys: A High-throughput physics-informed and data-enabled approach

To date, the vast majority of work on metal additive manufacturing (AM) has been framed in terms of the need to tune processing conditions for a particular AM technology in order to print conventional alloys, oftentimes developed for fabrication methods other than AM. This approach overlooks the fact that historically, many engineering alloy system has been designed with a particular processing route in mind, e.g., ingot metallurgy, powder metallurgy, rapid quenching, etc. There are thus significant opportunities to design alloys specifically for AM. A key challenge is that alloy design requires performance metrics that can be optimized by exploring the alloy chemistry space. Here, we present a study in which we examine how intrinsic thermophysical properties can be used to estimate performance metrics related to the behavior of a solidifying metal droplet under AM-relevant conditions. By identifying these intrinsic properties, it is possible to directly incorporate ‘intrinsic printability’, specifically ‘intrinsic resistance to balling’, into AM-focused alloy design.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

A mechanistic study on environment gas in laser powder bed fusion

A variety of protective or reactive environmental gases have recently gained growing attention in laser-based metal additive manufacturing (AM) technologies due to their unique thermophysical properties and the potential improvements they can bring to the build processes. However, much remains unclear regarding the effects of different gas environments on critical phenomena in laser AM, such as rapid cooling, energy coupling, and defect generation. Through simultaneous high-speed synchrotron x-ray imaging and thermal imaging, we identify distinct effects of two environmental gases in laser AM and gained a deeper understanding of the underlying mechanisms. Compared to the commonly used protective gas, argon, it is found that helium has a negligible effect on cooling the part. However, helium can suppress unstable keyholes by decreasing effective energy absorption, thus mitigating keyhole porosity generation and reducing pore size under certain processing conditions. In conclusion, these observations provide guidelines for the strategic use of environmental gases in laser AM to produce parts with improved quality.

36 MATERIALS SCIENCE↗
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 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 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 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↗