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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Initial steady-state core simulation capability or thermal and pool-type molten salt reactors, coupling reactor physics, thermal-hydraulics, and evolving chemistry

This report presents the development and validation of an initial steady-state multiphysics capability for molten salt reactors (MSRs) under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in Fiscal Year 2025. The framework integrates neutronics, thermal-hydraulics, species transport, and thermochemistry to capture the coupled dynamics of liquid-fueled systems. Implementation and testing were performed on two representative designs: the Molten Salt Reactor Experiment (MSRE), a thermal-spectrum, channeled-flow reactor, and the Lotus Molten Salt Reactor (L-MSR), a fast-spectrum, pool-type reactor. The modeling suite employs Griffin for reactor physics and depletion, Pronghorn and SAM for thermal-hydraulics, Thermochimica for chemistry, and Saline for thermophysical properties, with benchmarking and validation carried out against historical MSRE data, experimental flow-loop measurements, and reference depletion calculations from Monte Carlo codes. The framework demonstrated the ability to reproduce key reactor behaviors including temperature feedback, reactivity losses, delayed neutron precursor transport, xenon poisoning, and redox potential evolution. The results confirm the feasibility and accuracy of the coupled models in predicting steady-state and selected transient MSR behaviors. This latter ones are used in this report as a proxy indicating that the steady-state models from which the transient starts are accurate. For MSRE, validation showed good agreement with pump start-up and natural circulation tests, while for the L-MSR, benchmarking confirmed hydraulic calibration and consistency of neutronics–thermal coupling. The tools also provided new insights into species transport, noble metal deposition, and salt solidification dynamics. On the Xenon transport front, the code is validated against the steady state Xenon poisoining measurement and showed good agreement with the experimental value. Identified areas for future work include advanced void transport modeling, three-dimensional simulations, improved alloy corrosion models, and tighter integration with high-fidelity Monte Carlo codes. These developments provide a foundation for high-fidelity MSR simulations that can support reactor design optimization, safety assessments, and long-term operational strategies.

42 - ENGINEERING↗
DOE OSTI2021

A comparative study of machine learning models for predicting the state of reactive mixing

Mixing phenomena are important mechanisms controlling flow, species transport, and reaction processes in fluids and porous media. Accurate predictions of reactive mixing are critical for many Earth and environmental science problems such as contaminant fate and remediation, macroalgae growth, and plankton biomass evolution. Here, to investigate the evolution of mixing dynamics under different scenarios (e.g., anisotropy, fluctuating velocity fields), a finite-element-based numerical model was built to solve the fast, irreversible bimolecular reaction-diffusion equations to simulate a range of reactive-mixing scenarios. A total of 2,315 simulations were performed using different sets of model input parameters comprising various spatial scales of vortex structures in the velocity field, time-scales associated with velocity oscillations, the perturbation parameter for the vortex-based velocity, anisotropic dispersion contrast (i.e., ratio of longitudinal-to-transverse dispersion), and molecular diffusion. The outputs comprised concentration profiles of reactants and products. The inputs to and outputs from these simulations were concatenated into feature and label matrices, respectively, to train 20 different machine learning (ML) models intended to emulate system behavior. These 20 ML emulators, based on linear methods, Bayesian methods, ensemble learning methods, and multilayer perceptrons (MLPs), were trained to classify the state of mixing and predict three quantities of interest (QoIs) characterizing species production, decay (i.e., average concentration, square of average concentration), and degree of mixing (i.e., variances of species concentration). Unsurprisingly, linear classifiers and regressors failed to reproduce the QoIs; however, ensemble methods (classifiers and regressors) and the MLP model accurately classified the state of reactive mixing and the QoIs. Among ensemble methods, random forest and decision-tree-based AdaBoost faithfully predicted the QoIs. At run time, trained ML emulators produced results times faster than the finite-element simulations. Due to their low computational expense and high accuracy, ensemble and MLP models are excellent emulators for these numerical simulations and great utilities in uncertainty quantification exercises, which can require 1,000s of forward model runs.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1996

Studies of Radiation-Driven and Buoyancy-Driven Fluid Flows and Transport

It is well known that radiative heat transport influences many types of buoyant flows due to its effect on the temperature and thus density field in the fluid medium. It is of interest to study gaseous flows driven solely by radiation in the absence of buoyancy, particularly because of its application to astrophysical flows that are well known from astronomical observations and numerical simulation. However, no laboratory-scale experiments of this phenomenon have ever been conducted. To study the possibility of obtaining such flows in the laboratory, an apparatus was built to produce large temperature differences (Delta (T)) up to 300 K in a gas confined between flat parallel plates. SF6 was used as the radiatively-active gas because its Planck absorption length is much shorter than that of any other common non-reactive gas. The NASA-Lewis 2.2 second drop tower was used to obtain reduced gravity in order to suppress buoyancy effects. To image the resulting flows, a laser shearing interferometer was employed. Initial results indicate the presence of flow that does not appear to be attributable to the residual flow resulting from buoyancy influences before the drop. For Delta(T) greater than 70 K, slight deformations in the interferometer fringes seen at lower Delta(T) became large unsteady swirls. Such behavior did not occur for radiatively-inactive gases, suggesting that a flow driven solely by radiation was obtained in SF6 and to a lesser extent in CO2. This was more pronounced at higher pressures and plate spacings, consistent with our scaling predictions.

Ronney, Paul D.↗
NASA NTRS1994

Studies of Radiation-Driven and Buoyancy-Driven Fluid Flows and Transport

It is well known that radiative heat transport influences many types of buoyant flows due to its effect on the temperature and thus density field in the fluid medium. It is of interest to study gaseous flows driven solely by radiation in the absence of buoyancy, particularly because of its application to astrophysical flows that are well known from astronomical observations and numerical simulation. However, no laboratory-scale experiments of this phenomenon have ever been conducted. To study the possibility of obtaining such flows in the laboratory, an apparatus was built to produce large temperature differences (Delta T) up to 300 K in a gas confined between flat parallel plates. SF6 was used as the radiatively-active gas because its Planck absorption length is much shorter than that of any other common non-reactive gas. The NASA-Lewis 2.2 second drop tower was used to obtain reduced gravity in order to suppress buoyancy effects. To image the resulting flows, a laser shearing interferometer was employed. Initial results indicate the presence of flow that does not appear to be attributable to the residual flow resulting from buoyancy influences before the drop. For Delta T greater than 70 K, slight deformations in the interferometer fringes seen at lower Delta T became large unsteady swirls. Such behavior did not occur for radiatively-inactive gases, suggesting that a flow driven solely by radiation was obtained in SF6 and to a lesser extent in CO2 This was more pronounced at higher pressures and plate spacings, consistent with our scaling predictions.

Ronney, Paul D.↗
NASA NTRS1991

Progress of simulations for reacting shear layers

An attempt was made to develop a high speed, chemically reactive shear layer test rig. The purpose of the experiment was to study the mixing of oxidizer and fuel streams in reacting shear layers for various density, velocity, and Mach number. The primary goal was to understand the effects of the compressibility upon mixing and combustion in a fundamental way. Therefore, a two-dimensional shear layer is highly desirable for its simplicity to quantify the compressibility effects. The RPLUS 2D code is used to calculate the flow fields of different sections of the test rig. The emphasis was on the supersonic nozzle design, the vitiation process for the hot air stream and the overall thermodynamic conditions of the test matrix. The k-epsilon turbulence model with wall function was successfully implemented in the RPLUS code. The k and epsilon equations are solved simultaneously and the LU scheme is used to make it compatible with the flow solver.

Yu, Sheng-Tao↗
DOE OSTI2020

Integration Study of Converter-Interfaced Combined Heat and Power Plants

Combined Heat and Power (CHP) systems, as a proven technology, provide numerous benefits to the plant owner by saving electricity bill, reducing carbon dioxide emissions, and improving electricity service reliability. However, their integration into the distribution grid faces many barriers including the complexity of grid code requirements and the lack of technical expertise in commercial and small industrial plants to interface with the utility and accelerate the interconnection process. To solve these issues, this study proposes a converter-interfaced solution for CHP integration. Simulations including various fault scenarios and load flow under different grid conditions are carried out to compare technical performances of the proposed solution with directly-coupled CHP. Results show that the generator size of converter-interfaced CHP can be reduced by approximately 25% and it also provides advantageous features such as reduced stress level under fault conditions and a better dynamic stability margin. In addition, a power factor controller is designed and reactive power from CHP is dispatched in such a way that the CHP plant is compliant with power factor requirements from utilities under all operating conditions.

Converter, Combined heat and power, Distributed en↗
DOE OSTI2025

Characterizing IHE Response to Multiple Shock Loading

The response of high explosives to shock loading is traditionally measured with a steady loading pressure. In many accident scenarios involving fragment impact, however, a loading duration that is shorter than the build up to detonation may occur. Fragments passing through multiple materials before reaching a high explosive charge may produce loading that is comprised of more than one shock wave. Additionally, the build up to detonation in high explosive corner turning loads the explosive a short duration pressure pulse, since rarefactions can often rapidly overtake the reactive wave. For these reasons, we have studied the response of the insensitive high explosive (IHE) materials PBX 9502 and LX-17 to complex loadings of varied intensity and duration. We refer to a single loading of limited duration as a “thin pulse”, whereas more complex scenarios were studied with an impactor that produces a double shock in the explosive. The following report presents experimental data and analyses of thin pulse shock initiation and double shock experiments designed to guide development of models of Insensitive High Explosives (IHEs) under controlled one-dimensional conditions relevant to accident scenarios and corner turning. Thin pulse shock initiation data on PBX 9502 and LX-17 were obtained under varied pulse duration, pressed density, and temperature conditions in order to probe various parameters essential for the development of a physics-based Cheetah reactive flow hotspot model. In situ pressure gauges provide insight into the degree of reaction in the explosive that are not obtainable with optical PDV measurements or distance measurements such as run to detonation. Double shock data was obtained to inform a Composition Aware Cheetah model which can be applied to any TATB-based IHEs. This model supports efforts to find a new IHE formulation and potentially incorporate new binders into IHE formulations. Simulations of each experiment are included to demonstrate the utility of these focused experiments to developing models of HE behavior. One-dimensional gas gun experiments are essential for characterizing shocked HE behavior and informing HE models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

U-937 Toxicity Testing of Lunar Dust Stimulant (JSC-1A-vf)

With NASA planning to extend the human presence to the moon by 2020, the dangers of the lunar environment must be assessed and appropriate countermeasures must be developed. Possible toxic effects of the lunar dust are of particular importance to human health because of the dust's chemical composition, reactivity, and small size. This project focuses on the toxicity of lunar dust stimulant (JSC-1A-vf), in both its active and passive forms, using U-937 human monocyte cells. Simulant was mechanically activated from its passive form by grinding, and its ability to produce hydroxyl radicals was determined. To test for toxicity, active and passivated simulant was diluted in media and applied to the cells for various time periods. Toxicity was then estimated using flow cytometry on the Guava Personal Cell Analysis system. Preliminary results suggest that passivated stimulant is slightly toxic, with an increase in toxicity for activated stimulant. Toxicity results may be affected by cell lysing behavior and quenching of hydroxyl radical production by the cell media.

Bales, Kristyn↗
NASA NTRS2013

On Spurious Numerics in Solving Reactive Equations

The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.

Numerics↗
DOE OSTI2025

Advancements in NEAMS Tool Capabilities for Multiphysics Simulation of Fast Reactor Core Bowing and Identification of Validation Test Data

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves Multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Last year, thermal fluids and mechanics were coupled on a multi-assembly benchmark problem based on ABR-1000 design. This year, the reactor physics code Griffin was assessed for readiness of core bowing calculations. Preliminary integration of Griffin’s ring-heterogeneous model with thermal fluids and thermal mechanics solvers was performed. Specifically, thermal-mechanics and reactor physics were coupled for single- and multi-assembly problems, and reactor physics and subchannel methods were coupled for a single assembly model. Finally, the workflow of all three physics was preliminarily demonstrated on a single assembly model. Caveats and future development needed have been identified. To supplement the multiphysics demonstration, verification and assessment efforts of thermos-mechanical capabilities for modeling thermo-mechanical core bowing behavior were continued by analyzing IAEA Verification Problem 5 which includes radiation swelling and creep. Additionally, a small core reactor physics benchmark defined by Japan Atomic Energy Agency (JAEA) was performed to assess neutronics models for estimating reactivity feedback. Finally, Fast Flux Test Facility (FFTF) validation test data for core bowing phenomena has been identified and summarized, with a recommended path forward for validation once this capability is mature.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1991

Field-aligned dynamics of chemically induced perturbations to the ionosphere

Ionospheric modification using photochemically reactive vapors is studied with a one-dimensional, multiion, fluid model of plasma flow along magnetic field lines. The magnitudes of ion and electron density changes are determined by considering both chemical processes (i.e., photoionization, ion-molecule reactions, dissociative recombination, electron attachment) and transport processes (i.e., multispecies diffusion, electric currents, ambipolar electric fields). The numerical treatment in the model is not specific to any type of release or any interaction chemistry. It has been used to simulate releases of Ba, CO2, and CF3Br in the ionosphere, but generalization to other species may be easily accomplished. The results of the calculations are found to be in good agreement with experimental observations. The feasibility of modifying the parallel current paths in the auroral F region is examined.

Bernhardt, P. A.↗
DOE OSTI2020

Decentralized Voltage optimization Method for Distribution Networks with Distributed PVs

In order to solve the voltage violations caused by high penetration distributed photovoltaics (PVs), this paper proposes a decentralized voltage optimization method for distribution networks. Through the optimal dispatch of distributed PVs and reactive power resources, it realizes the voltage security and economic operation of distribution systems and facilitates the integration of massive distributed PVs. The proposed method is inspired by the idea of locational marginal price (LMP) and feasible cutting plane. It separates the optimization of boundary bus voltage and power flow in adjacent regions and uses the interaction of boundary variables’ marginal prices to obtain the optimal solution. The effectiveness and accuracy of the proposed method are demonstrated via simulation test on a practical l0kV feeder in China.

Xue, Yaosuo↗
DOE OSTI2020

Power-Domain Impedance Theory for the Analysis and Mitigation of Interarea Oscillations: Preprint

This paper presents an impedance-based theory for the analysis and mitigation of interarea oscillations in power systems. Because low-frequency power system oscillations primarily manifest in phasor quantities, including active and reactive power flows, and the magnitude and frequency of bus voltages, a new-type of impedance, called power-domain impedance, is defined in terms of these phasor quantities. The power-domain impedance provides an intuitive framework for the analysis of interarea oscillations without requiring internal details of generators, and it is ideally suited for developing oscillation damping controls in inverter-based resources. The power-domain impedance theory is demonstrated in this paper using PSCAD simulations of a two-area system. The theory is also used for designing damping control in synchronous generators and a wind power plant in the two-area system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

A hybrid architecture for volt-var control in active distribution grids

Modern active distribution grids are characterized by the increasing penetration of distributed energy resources (DERs). The proper coordination and scheduling of a large numbers of these small-scale and spatially distributed DERs is necessary, and warrants the use of novel distributed approaches. In this paper, we propose a hybrid volt-var control architecture for the distribution grid, which leverages existing centralized and local approaches to planning, decision making, and control, and augments it with distributed optimization and distributed control for DER management. First, we propose a convex model to describe the power physics of distribution grids of meshed topology and unbalanced structure, based on current injection and McCormick Envelopes. Second, we employ the distributed proximal atomic coordination (PAC) algorithm to coordinate DERs to provide voltage support. We implement volt-var optimization by optimally coordinating DERs including PV smart inverters and demand response. We present results using the IEEE-34 bus network, using real data from a distribution feeder in Hawaii, to model load and PV generation. Different levels of DER penetration and objective functions are simulated. Finally, our results show the need for the coordination of DERs to improve voltage profiles, even in networks with existing voltage control devices. Further, we show the need for flexible reactive power capabilities to achieve desired grid performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Influence of Agricultural Managed Aquifer Recharge (AgMAR) and Stratigraphic Heterogeneities on Nitrate Reduction in the Deep Subsurface

Agricultural managed aquifer recharge (AgMAR) is a strategy whereby surface water is used to intentionally flood croplands to recharge underlying aquifers. However, nitrate (NO 3 - ) contamination in agriculturally intensive regions poses a threat to groundwater resources under AgMAR. We use a reactive transport model to understand the effects of AgMAR management strategies (i.e., by varying the frequency, duration between flooding events, and amount of water) on NO 3 - leaching to groundwater under different stratigraphic configurations and antecedent moisture conditions. We examine the potential of denitrification and nitrogen retention in deep vadose zone sediments (~15 m) using variable AgMAR application rates on two-dimensional representations of differently textured soils, soils with discontinuous bands/channels, and with preferential flow paths characteristic of agricultural fields. Simulations indicate finer textured sediments, alone or embedded within/adjacent to high flow regions, are important reducing zones providing conditions needed for denitrification. Simulation results suggest that applying water all-at-once rather than in increments transports higher concentrations of NO 3 - deeper into the profile, which may exacerbate groundwater quality. This transport into deeper depths can be aggravated by wetter antecedent soil moisture conditions. However, applying water all-at-once also increases denitrification within the vadose zone by promoting anoxic conditions. We conclude that AgMAR can be designed to enhance denitrification in the subsurface and reduce NO 3 - leaching to groundwater, while specifically accounting for lithologic heterogeneity, antecedent soil moisture conditions, and depth to the water table. Our findings are potentially relevant to other systems that experience flooding inundation such as floodplains and dedicated recharge basins.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The SAS4A/SASSYS-1 Version 5.8 Safety Analysis Code System

SAS4A/SASSYS-1 is a software simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced nuclear reactors. Detailed, mechanistic models of steady-state and transient thermal, hydraulic, kinetic, and mechanical phenomena are employed to describe the response of the reactor core, the reactor primary and secondary coolant loops, the reactor control and protection systems, and the balance-of-plant to accidents caused by changes in coolant flow, loss of heat rejection, or reactivity insertion. The consequences of single and double-fault accidents can be modeled, including fuel and coolant heating, fuel and cladding mechanical behavior, core reactivity feedbacks, coolant loop performance including natural circulation, and decay heat removal. Analyses are typically terminated upon demonstration of reactor and plant shutdown to permanently coolable conditions, or upon violation of design basis margins. The objective of the analysis is to quantify accident consequences as measured by the transient behavior of system performance parameters, such as fuel and cladding temperatures, reactivity, and cladding strain. Originally developed for analysis of sodium cooled reactors with oxide fuel clad by stainless steel, the models were subsequently extended and specialized to metallic fuel clad with advanced alloys and to several other coolant options, including lead, LBE, and water.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Thermal and solubility effects on fault leakage during geologic carbon storage

Geologic carbon storage (GCS) is a promising method for reducing anthropogenic CO 2 emissions to the atmosphere. To safely deploy GCS in the field, it is necessary to assess risks and the effect of uncertainty on safe storage. The effect of uncertainty can be quantified using batches of simulations, but the high computational costs of high-resolution simulations necessitate use of reduced-order models (ROMs). Previous work involves ROMs for quantifying the risk of different potential leakage paths from storage reservoirs to shallow formations. However, previous studies on development of fault-leakage ROMs have limited numbers of uncertain parameters and do not explicitly examine impacts of CO 2 solubility and thermal stresses on fault reactivation, which can generate high-permeability pathways and compromise CO 2 storage. Here, we analyze an ensemble of simulations considering CO 2 leakage from a storage reservoir to a shallow aquifer through a fault while varying a number of uncertain parameters related to thermo-hydro-mechanical properties and CO 2 injection. We show the effects of solubility on: free-phase CO 2 -leakage rates, brine-leakage rates, and poroelastic fault destabilization. We find that CO 2 solubility is more important for estimating free-phase CO 2 -leakage rates compared to brine-leakage rates or poroelastic fault destabilization. We also find that thermal stresses and overpressures have different spatial distributions within the fault, indicating that the spatial variability of overpressures due to variation in flow parameters does not necessarily make the spatial variability of thermal stresses negligible. We suggest the use of the CO 2 phase-change path as a variable in future fault-leakage ROMs.

03 NATURAL GAS↗
DOE OSTI2024

A mineral precipitation model based on the volume of fluid method

A novel volume of fluid method is presented for mineral precipitation coupled with fluid flow and reactive transport. The approach describes the fluid-solid interface as a smooth transitional region, which is designed to provide the same precipitation rate and viscous drag force as a sharp interface. Specifically, the governing equation of mineral precipitation is discretized by an upwind scheme, and a rigorous effective viscosity model is derived around the interface. The model is validated against analytical solutions for mineral precipitation in channel and ring-shaped structures. It also compares well with interface tracking simulations of advection-diffusion-reaction problems. Here, the methodology is finally employed to model mineral precipitation in fracture networks, which is challenging due to the low porosity and complex geometry. Compared to other approaches, the proposed model has a concise algorithm and contains no free parameters. In the modeling, only the pore space requires meshing, which improves the computational effciency especially for low-porosity media.

58 GEOSCIENCES↗