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DOE OSTI2023

Considerations for the temperature stratification in a pre-burn constant-volume combustion chamber

In recent years, the Engine Combustion Network (ECN) has developed as a worldwide reference for understanding and describing engine combustion processes, successfully bringing together experimental and numerical efforts. Since experiments and numerical simulations both target the same boundary conditions, an accurate characterization of the stratified environment that is inevitably present in experimental facilities is required. The difference between the core-, and pressure-derived bulk-temperature of pre-burn combustion vessels has been addressed in various previous publications. Additionally, thermocouple measurements have provided initial data on the boundary layer close to the injector nozzle, showing a transition to reduced ambient temperatures. The conditions at the start of fuel injection influence physicochemical properties of a fuel spray, including near nozzle mixing, heat release computations, and combustion parameters. To address the temperature stratification in more detail, thermocouple measurements at larger distances from the spray axis have been conducted. Both the temperature field prior to the pre-combustion event that preconditions the high-temperature, high-pressure ambient, as well as the stratification at the moment of fuel injection were studied. To reveal the cold boundary layer near the injector with a better spatial resolution, Rayleigh scattering experiments and thermocouple measurements at various distances close to the nozzle have been carried out. The impact of the boundary layers and temperature stratification are illustrated and quantified using numerical simulations at Spray A conditions. Next to a reference simulation with a uniform temperature field, six different stratified temperature distributions have been generated. These distributions were based on the mean experimental temperature superimposed by a randomized variance, again derived from the experiments. The results showed that an asymmetric flame structure arises in the computed results when the temperature stratification input is used. In these predictions, first-stage ignition is advanced by 24 $\mu$s , while second-stage ignition is delayed by 11 $\mu$s. At the same time a lift-off length difference between the top and the bottom of up to 1.1 mm is observed. Furthermore, the lift-off length is less stable over time. Given the shown dependency, the temperature data is made available along with the vessel geometry data as a recommended basis for future numerical simulations.

42 ENGINEERING↗

DOE OSTI2023

Wettability Alteration with Weak Acid-Assisted Surfactant Flood

Oil-wetness and heterogeneity are two key reasons for low oil recovery by waterflooding in carbonate reservoirs. Surfactants have been effective in altering the oil-wet matrix to a more water-wet condition and initiating spontaneous imbibition. Because it takes time for the surfactant to alter wettability, oil recovery from the tight matrix is slow and sometimes not economically feasible. Acids have the potential of dissolving minerals, which may alter wettability. In this study, the enhanced oil recovery (EOR) performance of an acid-assisted surfactant solution, a novel technique, was evaluated for low-temperature applications. A set of acids and their acetates were tested. Bulk rock-acid reaction, wettability alteration (WA) tests, and spontaneous imbibition measurements were conducted at reservoir temperature (35°C) to identify effective candidates. Coreflood tests were then performed to evaluate the selected acid-surfactant formulations. Before and after a coreflood test, the core was scanned using micro-computed tomography (CT) to investigate pore structure alteration. Bulk reaction measurements showed that weak acids, especially acetic acid (AA), have the desired low reaction rates at 35°C. WA tests showed that AA can remove the crude oil off the rock surface and alter wettability through mineral dissolution. The surfactant can reduce contact angles from 160° to 58°; adding acid into the surfactant can further reduce it to 52°. Spontaneous imbibition experiments showed the synergy between the acid and the surfactant; the AA-surfactant solution had the highest oil recovery (62.6%) among acid-surfactant formulations. The acid improves the WA efficiency by the surfactant through surface mineral dissolution and lower ζ-potential. The imbibition transports the acid-surfactant solutions into the matrix, which minimizes face dissolution. Coreflood tests show that the AA-surfactant flood can increase the oil recovery rate and recover about 8% more oil compared to the surfactant flood. Micro-CT showed that a few mineral particles were transported along the core and partially plugged pore throats, which reduced permeability and diverted flow leading to improved oil recovery. Here, the transport of the acid in reservoirs and the potential plugging issues have to be carefully evaluated in future studies.

58 GEOSCIENCES↗

DOE OSTI2026

Modeling Wind in Agrivoltaics and its Impact on Eddy Covariance Flux Measurements

Silicon Ranch is conducting a research study at their 138MW Bancroft Station agrivoltaics site, the largest agrivoltaics research array in the US, in which they are using an eddy covariance flux tower to measure the carbon budget. They are interested in finding out if the presence of the panels changes the effectiveness of these measurements. To investigate this topic, NLR performed numerical simulations of wind through the agrivoltaic array to identify under what environmental conditions (wind speed, wind direction, temperatures) and panel tilt angles the mean wind speeds at the measurement heights are significantly altered by the presence of the solar panels. NLR adapted and used the PVade simulation tool [1] to model wind in Silicon Ranch's agrivoltaic array and found that at the height of the flux tower (6m), the wind speed measured is not significantly altered by the presence of solar panels. The percent difference is less than 4% and is generally greatest during daytime conditions at higher wind speeds and perpendicular wind direction. Closer to the ground, the flow is significantly altered (wind speeds are reduced) by the presence of solar panels and the percent difference increases in strong winds. The work confirmed that eddy covariance flux towers can be used within the context of a solar array field.

14 SOLAR ENERGY↗

DOE OSTI2026

Effect of soot concentration on radiative transport in a 2 m JP-8 pool fire

Hubbard et al. (2024) investigated conjugate heat transfer in a 7.9 m JP-8 pool fire, utilizing both heavily sooting and non-sooting fuel models. Their findings indicated that all models produced pool radiative heat fluxes within the measurement uncertainty for large-scale outdoor experiments. This study aims to further investigate the influence of soot concentration on radiative transport. To this end, Large Eddy Simulations (LES) of a 2 m diameter JP-8 pool fire were conducted, employing four turbulent combustion chemistry models: the Eddy Dissipation Concept (EDC) and three variants of flamelet model. Additionally, three variations of the one-equation subgrid scale turbulence kinetic energy model, and multiple mesh resolutions were utilized. The primary validation metrics were pool radiative heat flux and plume radiative fraction, with simulation data compared to experimental results published by Blanchat et al. (2010). The EDC model produced high soot concentrations near the pool surface, resulting in a significant shielding effect. In contrast, the flamelet combustion model has different kinetic limiters for soot production, leading to soot formation higher in the flame, where it can be more readily oxidized. Flamelet models incorporating both acetylene and benzene contributions to soot growth demonstrated better agreement with experimental data. To assess the sensitivity of pool radiative heat flux to soot mass concentration, we used a one-dimensional approximation over a wide range of soot concentrations and compared it to three-dimensional solutions obtained using Discrete Ordinates. Furthermore, this analysis illustrates the impacts of soot shielding and Turbulence Radiation Interactions (TRI), with TRI emission enhancement factors predicted to be in the range of 3–5 near the edges of the plume.

Computational fluid dynamics↗

DOE OSTI2026

Modeling and Experimental Validation of a Direct-Contact Counter-Flow Fluidized Bed Heat Exchanger for Thermal Energy Storage (TES) Applications

Particle-based thermal energy storage (TES) systems are an emerging energy storage technology. The technological advances have reduced costs, making TES more competitive and reliable in the marketplace but an efficient and reliable operation is heavily dependent on coherent heat transfer between air to particles or vice versa. The particle-based TES technologies provide an intermediate system that can store energy for short (0-10 h), long (10-200 h) and seasonal (> 200 h) timescales. The TES systems store energy by converting electricity to thermal energy; electricity can be directly sourced intermittent generation technologies and/or the grid, helping manage peak loads and other mismatches in supply and demand. The overall efficiency of the TES system depends on the performance of system components (particle storage silos and particle transfer mechanism etc.). The particle heat exchanger is one of the key system components that affects the system efficiency. The pressurized fluidized bed heat exchanger (PFB HX) performance is challenging to predict due to the chaotic behavior of particle and fluid interaction. This research presents a computational study of a novel direct-contact, counter-flow and air-to-particles PFB HX, that contributes in advancing the particle-based long-duration TES technologies. For the current analysis an unsteady Eulerian-Eulerian CFD model was developed and validated against experiments performed at the National Laboratory of the Rockies for two particle sizes (600 ..mu..m and 825 ..mu..m ). Following validation, parametric simulations were conducted to evaluate the effects of interphase drag models (Syamlal-O'Brien and Gidaspow), particle size, bed height and the influence of a frictional-viscosity term on hydrodynamics and heat transfer between the air & particles. The key findings from the analysis are: (1) for the studied operating window Syamlal-O'Brien provides superior agreement with measured gas temperatures (errors generally < 10%) while Gidaspow shows large deviations for the coarse particle case; (2) model predictions are most sensitive in the lower 0.2 m above the air distributor where bubble initiation and local mixing dominate interphase heat transfer; (3) representation of the distributor (number of inlet ports) materially affects predicted local mixing and temperature stratification; and (4) the Eulerian-Eulerian framework reproduces bulk thermal trends but shows regime dependent limitations for coarse particles, motivating mesoscale informed closures for scale-up analysis for future studies. These results provide validated guidance for drag selection and distributor design in particle-based thermal energy storage applications. Collectively, the validated model and parametric results quantify key drivers of PHB-HX performance and provide practical guidance for design and optimization. The results provide confidence in the model predictability and provide a step forward to improve on heat exchange performance. The demonstrated performance and modeling approach support the deployment and further development of this novel PHB-HX concept for robust, particle-based long-duration thermal energy storage systems.

25 ENERGY STORAGE↗

DOE OSTI2025

Conformally coated scaffold design using water-tolerant Pr 1.8 Ba 0.2 NiO 4.1 for protonic ceramic electrochemical cells with 5,000-h electrolysis stability

Protonic ceramic electrochemical cells (PCECs) have potential as long-duration energy storage systems. However, their operational stability is limited under industrially relevant conditions due to the intrinsic chemical instability of doped barium cerate-based electrolytes and oxygen electrodes against H 2 O, as well as the poor electrode–electrolyte interfacial contact. Here, in this study, we present a conformally coated scaffold (CCS) design to comprehensively address these issues. A porous proton-conducting scaffold is constructed and conformally coated with Pr 1.8 Ba 0.2 NiO 4.1 electrocatalyst, which has high chemical stability against H 2 O, triple conductivity and hydration capability, and protects vulnerable electrolytes from H 2 O. The CCS structure consolidates the electrode–electrolyte interfacial bonding to enable fast proton transfer in the percolated network. This design enables PCECs to reach electrolysis stability for 5,000 h at −1.5 A cm−2 and 600 °C in 40% H 2 O. This work provides a general strategy to stabilize PCECs and offers guidance for designing resilient and stable solid-state energy storage systems.

Protonic ceramic electrochemical cell↗

DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Automated Control for Nuclear Thermal Propulsion Start-Up using MOOSE-based Applications

This report presents a Griffin/Bison/RELAP-7 numerical model of a prototypical NTP system that features fuel assemblies arranged in rings, and which was designed to simulate rapid startup transients. The physics modeled include full-core neutronics, assembly-wise heat conduction, and conjugate heat transfer, with the balance of plant mainly imposed through boundary conditions. In addition, various forms of automated reactivity control were deployed by using the MOOSE to autonomously drive the model and simulate the reactor transitioning from assumed initial conditions to nominal power in a fraction of a minute. To generate the cross-sections of the neutronics model, and in an effort to simultaneously account for the tremendous axial temperature gradients in the reactor and to limit the number of state points required for cross-section generation, the average component temperatures and hydrogen densities in the cooling channels were correlated to the average fuel and moderator temperatures, and fixed axial profiles were derived for nominal conditions and then used during the transient. With this approximation, a tractable cross-section library tabulated with fuel/moderator temperatures and CD angles was generated using Serpent. The full-core SPH correction procedure and the CD decusping technology in Griffin, respectively, ensure preservation of the multiplication factor and reaction rates at state points, along with a reasonably accurate reactivity worth between tabulated CD angles, despite using a coarse mesh. Feedback from other physics was calculated by modeling one representative fuel assembly per ring, along with the corresponding fuel and moderator cooling channels. To limit power overshoots during startup, another layer of multiphysics coupling was added to the model in order to automatically control the drums. Two different technologies presented herein showed outstanding performance in this regard: (1) a novel hybrid PID controller based on both power and reactivity signals, and (2) a PGC that relies on kinetics parameters and reactivity coefficients to predict future behavior and adjust the desired signal accordingly. A challenging benchmark was devised, featuring a power demand curve that exponentially increases by a factor of 500 within 30 seconds, then levels out after that. Both control approaches create a simulated power curve that closely follows the power demand curve and limits power overshoots to 1% or less. While the former approach requires more tuning of the internal parameters, the latter requires additional knowledge of the reactivity feedback coefficients and rates of change of the corresponding variables, including fuel and moderator temperature, which could be difficult to dynamically measure for a real NTP system. Fortunately, some inaccuracy in these quantities will not drastically degrade the PGC performance. Subsequently, a more realistic startup sequence was considered, in which the mass flow rate and outlet pressures are ramped up to model bootstrap and thrust build-up phases prior to reaching steady-state conditions, demonstrating the ability of the hybrid PID and PGCs to handle such transients, with both types of controllers exhibiting very similar behavior. Nevertheless, a significant chamber temperature overshoot was observed, caused by the demanded power signal and assumed mass flow rate. This issue could be mitigated by deploying a reactor controller that follows the chamber temperature signal and actuates both the control valves and drums (rather than using a power signal based solely on the drums to control reactivity). Enhancement of the hydrogen fluid properties available in MOOSE, as well as a better understanding of prototypical initial conditions, are also needed to further enhance this startup model. Finally, a study was performed to model decay heat post-shutdown, and to prepare for extending this model to predict shutdown behavior and post-shutdown pulsed cooling requirements.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Benchmark for two-dimensional large scale coherent structures in partially magnetized E × B plasmas—community collaboration & lessons learned

Low-temperature plasmas (LTPs) are essential to both fundamental scientific research and critical industrial applications. As in many areas of science, numerical simulations have become a vital tool for uncovering new physical phenomena and guiding technological development. Code benchmarking remains crucial for verifying implementations and evaluating performance. This work continues the Landmark benchmark initiative, a series specifically designed to support the verification of LTP codes. In this study, seventeen simulation codes from a collaborative community of nineteen international institutions modeled a partially magnetized E × B Penning discharge. The emergence of large scale coherent structures, or rotating plasma spokes, endows this configuration with an enormous range of time scales, making it particularly challenging to simulate. The codes showed excellent agreement on the rotation frequency of the spoke as well as key plasma properties, including time-averaged ion density, plasma potential, and electron temperature profiles. Achieving this level of agreement came with challenges, and we share lessons learned on how to conduct future benchmarking campaigns. Comparing code implementations, computational hardware, and simulation runtimes also revealed interesting trends, which are summarized with the aim of guiding future plasma simulation software development.

benchmarking↗