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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A microfluidic study of transient flow states in permeable media using fluorescent particle image velocimetry

Velocity fields in flow in permeable media are of great importance to many subsurface processes such as geologic storage of CO 2 , oil and gas extraction, and geothermal systems. Steady-state flow is characterized by velocity fields that do not change significantly over time. The flow field transitions to a new steady state once it experiences a disturbance such as a change in flow rate or in pressure gradient. This transition is often assumed to be instantaneous, which justifies the expression of constitutive relations as functions of instantaneous phase saturations. This work examines the evolution of velocity fields in a surrogate quasi-2D permeable medium using a microfluidic device, a microscopy system, and a high-speed camera. Tracer particles are injected into the medium along with DI water. The evolution of the velocity field is examined by tracing these particles in the captured images using the standard high-density particle image velocimetry algorithm founded on cross-correlation. The results suggest that the transition between steady states for an incompressible fluid takes a finite and non-negligible amount of time that is independent of the magnitude of the change in pressure gradient. The existence of transient states and the nature of the response during these states are readily interpreted by the principle of least action where flow gradually establishes an optimal configuration such that energy dissipation is 2 minimized. The findings provide evidence against the applicability of the assumption that flowing phases relax instantaneously to their steady states and, hence, against the accuracy of the classical multiphase extension of Darcy's law.

42 ENGINEERING↗
DOE OSTI2021

Adsorption of Iodine on Metal Coupons in Humid and Dry Environments

In this study, five different metal coupons were evaluated for gaseous iodine [I2(g)] adsorption including two stainless steels (i.e., SS304 and SS316), two Inconel® alloys (i.e., 625 and 718) and pure Ni (i.e., Ni-200) within a dynamic flow-through system where temperature, iodine concentration, flow rate, atmosphere, and relative humidity were controlled. Humidity was shown to be critical to iodine adsorption on SS304 and SS316 and Ni-200 at ambient temperatures. The results presented herein suggest that a moisture mediated reaction is occurring. However, higher humidity levels decrease the adsorption, suggesting an ideal range of humidity for highest corrosion. A comparison of the five metal substrates showed the highest I2(g) adsorption in the following descending order Ni-200 > SS304 > SS316 >718>625.The 625 and 718 Inconel alloys were fairly inert to iodine adsorption under the conditions tested. Characterization by scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction of the Ni-200 coupon indicates that NiI2 is formed and flakes off the surface as a black powder. The SS304 and SS316 coupons showed evidence of extensive reactions with I2(g) and formed a much more deliquescent corrosion product, which reacted with air when removed from the flow-through system for weighing on the analytical balance. These findings assist in predicting iodine adsorption behavior on a variety of metal surfaces under various conditions.

Beck, Chelsie L.↗
DOE OSTI2021

Experimental Study of Transport Behavior of Swellable Microgel Particles in Superpermeable Channels for Conformance Control

Summary Gel treatment is an effective way to attack excessive water production during oil development. The transport behavior of gel materials in reservoirs is of crucial importance to the effectiveness of gel treatments. The aim of this paper is investigating the transport behavior of swellable micrometer-sized preformed particle gels (PPGs, or microgels) through superpermeable (super-K) channels. Sandpacks with permeabilities ranging from 27 to 221 darcies were used to mimic the super-K channels. Multiple pressure sensors were applied along the sandpack models to monitor the propagation behavior of the microgels. The tested microgel particles could transport through the super-K channels, and a higher driving pressure gradient was required when the particle/pore size ratio was larger. The pressure gradient distribution along the super-K channels was relatively uniform when the particle/pore ratio was low (less than 1.3). However, the inlet section would show increasingly higher pressure gradients as the particle/pore ratio was increased, indicating increased difficulty in propagation. The propagation of the gel particles was significantly slower compared with the carrying fluid. The delayed propagation behavior was more pronounced when the particle/pore ratio was higher. The injection pressure was much less sensitive to the injection flow rate compared with a Newtonian fluid. The gel dispersion exhibited an apparent shear thinning (pseudoplastic) behavior when transporting through the porous channels. Breakage of the gel particles was observed especially at high superficial velocities. The particle breakage was partially responsible for the apparent shear thinning behavior. The breakage phenomenon was in favor of deep placement of the gel particles. The channel permeabilities were significantly reduced by the microgels, bringing sufficient resistance to subsequent waterflooding (more than 99.5%). At given matching size conditions, softer gels were more likely to establish in-depth placement and uniform water blocking capacity in the channels. The microgel particles exhibited salinity-responsive behavior to the post-brine flush. The gel particles could shrink and reswell according to the salinity of the injected water. Possibilities were discussed to use this salinity-responsive behavior. Also, the microgels exhibited a particular disproportionate permeability reduction (DPR) effect. After gel injection, the channel permeability to water flow was reduced by more than 20 to 92 times of the permeability to oil flow. This work provides important support to understand the transport behavior of gel particles in super-K channels. The achievements are helpful for gel product selection and gel treatment design.

Engineering↗
DOE OSTI2022

Additively manufactured multiplexed inertial coalescence filters

Multiphase flows often pose a significant challenge to the efficient and reliable design of thermofluidic systems. This paper describes multiplexed inertial coalescence filters composed of parallel helical pathways, designed to capture fine droplets (<40 µm) through inertial separation while maintaining a low pressure drop (<400 Pa). Filtration efficiencies for 7 µm and 30 µm droplets were characterized for varying flow conditions, with complete capture observed above a threshold flow rate. Models for filtration efficiency and pressure drop were developed and validated against experimental results to allow system design and optimization, enabled by the tunable additive manufacturing approach used to fabricate the filters. Filter quality factor was computed for varying droplet sizes, showcasing exceptional quality factor when compared to state-of-the-art filters documented in the literature. In conclusion, this multiplexed inertial coalescence filtration approach could find use in dehumidification systems, fog harvesting, chemical reactors, and microgravity droplet capture.

3D Printing↗
DOE OSTI2022

ORGANIC RANKINE CYCLE TURBINE AND HEAT EXCHANGER SIZING FOR LIQUID AIR COMBINED CYCLE

Cryogenic energy storage offers several opportunities to design turbomachinery and other equipment for novel cycles. This paper presents the design and analysis of turbomachinery and heat exchangers for an Organic Rankine Cycle (ORC) subsystem for a hybrid energy storage concept. The Liquid Air Combined Cycle is an energy storage system that stores air at cryogenic conditions at times with high variable renewable energy to be dispatched along with a gas turbine to recover the exhaust heat. In order to re-vaporize the air, the liquid air is coupled with an ORC as an additional bottoming cycle. The ORC turbine is expected to expand the fluid with a pressure ratio of nearly 30 and a flow rate of approximately 45 kg/s. Sizing calculations for both a radial and axial turbine solution were performed over a range of speeds and stages to determine the optimal design point. The results show that either an axial (8- or 9-stage) or radial (four stages at two shaft speeds) turbine are capable of handling the pressure ratios. Further trades of the two configurations would be required to determine the best option. The ORC system also incorporates five heat exchangers to distribute heat, vaporize the liquid air, or recover exhaust heat from the gas turbine. Three heat exchangers were analyzed to understand the size of heat exchangers and pressure drop for the overall system. Different types of heat exchangers were explored for the different purposes, including plate-fin heat exchangers, gasketed plate heat exchangers and shell-in-tube heat exchangers. It was determined that the ORC recuperator, liquid-air vaporizer, and vaporized air pre-heater would be counter-flow heat exchangers using a gasketed plate design. Keywords: Energy Storage, Liquid Air Energy Storage, Organic Rankine Cycle

Pryor, Owen↗
DOE OSTI2020

Enhanced flow boiling heat transfer on chromium coated zircaloy-4 using cold spray technique for accident tolerant fuel (ATF) materials

Flow boiling heat transfer tests were conducted to evaluate the Critical Heat Flux (CHF) and Heat Transfer Coefficient (HTC) of conventional and accident tolerant fuel (ATF) cladding materials, i.e., bare Zircaloy-4 (Zr4), and Zircaloy-4 coated with Chromium using physical vapor deposition (PVD) (Zr4-Cr-PVD) and cold spray process (Zr4-Cr-CS), respectively. The tests were performed on a single heater rod with a uniform heat flux profile, at the atmospheric pressure, inlet temperature (24 °C) and mass flow rate (750 kg/m 2 s). HTC’s were increased by 5.2% and 3.3% on Zr4-Cr-CS compared to bare Zr4 and Zr4-Cr-PVD. Improved HTCwas attributed to the increased void fraction and high roughness (Ra = 532 nm) of the Zr4-Cr-CS. In detail, the micro-cavities, which act as bubble seeds, were entirely distributed on the Zr4-Cr-CS, and these micro-cavities generated smaller and faster bubbles, thus the void fraction increased by 10.9% compared to bare Zr4. HTC is improved by these smaller and faster bubbles which can remove heat from the heater rod surface more efficiently. To identify the exact location of CHF, the surface temperature profile was measured using advanced fiber-optic sensors which have high temporal/spatial resolution (distance between point to point: ~2.5 mm, frequency ~100 Hz). CHF occurred at 80–95% along the heated length and showed an 11.6% reduction on Zr4-Cr-CS compared to bare Zr4. We hypothesize the CHF reduction was caused by the lower wettability of the Zr4-Cr-CS which reduces the liquid supply to the surface, and vigorous bubble accumulation owing to high void fraction near the outlet, which results in early formation of the vapor film. During the post-CHF quenching phase, the rougher Zr4-Cr-CS showed larger cooling rates compared to the bare Zr4 and Zr4-Cr-PVD, preventing of oxidation by chromium layer. In conclusion, we demonstrate that the high roughness on the Zr4-Cr-CS increased the number of micro-cavities on the surface, resulting in 5.2% increase in HTC and improvement in the quenching heat transfer performance whereas CHF was 11.6% reduced compared to bare Zr4. Overall statistically there is little effect in the coating with regards to CHF and slight improvement in HTC.

42 ENGINEERING↗
DOE OSTI2024

Large-Eddy Simulation Study of Flow and Combustion Dynamics in a Full-Scale Hydrogen–Air Rotating Detonation Combustor-Stator Integrated System

In the present work, a first-of-its-kind three-dimensional (3D) large-eddy simulation (LES) study is conducted to numerically investigate the combustion dynamics as well as aero-thermal phenomena in a full-scale nonpremixed hydrogen–air rotating detonation engine (RDE) (with a diverging-shaped lower-end wall), when integrated with nozzle guide vanes (NGV) acting as the turbine stator. The wall-modeled LES framework incorporates hydrogen–air detailed chemical kinetics and adaptive mesh refinement (AMR). A comparative analysis is carried out for two operating conditions with different fuel/air mass flow rates but global equivalence ratio of unity, and considering RDE configurations without and with stator. The LES model is validated against available experimental data for the low mass flux condition with respect to detonation wave speed/height, wave dynamics, and axial static pressure distribution. Numerical results indicate significant deflagrative combustion occurring in the fill region near the inner wall due to formation of recirculation zones in the injection near-field driven by the backward facing step. The leading detonation wave is found to be trailed by an azimuthal reflected-shock combustion (ARSC) wave, consistent with experimental observations, which consumes unburned vitiated reactants that leak through the main detonation wave. The main detonation wave characteristics, such as detonation wave speed/height and combustion efficiency, do not change appreciably with the presence of NGV. A novel combustion diagnostic technique based on chemical explosive mode analysis (CEMA) is employed to quantify the fraction of heat release occurring in the detonative mode versus deflagrative mode for the simulated conditions. The exit flow is found to be nearly fully subsonic and supersonic for the low and high mass flux conditions, respectively. Further analysis of the exit flow profiles shows that the presence of NGV renders the flow more axial and significantly impacts the exit Mach number and total pressure, while the total temperature shows negligible change. In addition, the low mass flux operating point, despite exhibiting more deflagrative losses within the combustor, yields overall lower pressure drop from plenum to exhaust, which is mainly attributed to lower pressure drop across the injectors. Lastly, the rotating detonation engine-nozzle guide vanes (RDE-NGV) configuration exhibits higher total pressure loss compared to rotating detonation engine (RDE) without stator across both the mass flux conditions. In conclusion, this study extends the state-of-the-art in numerical modeling of pressure gain combustion (PGC) systems by demonstrating high-fidelity 3D reacting LES of full-scale RDE-NGV systems relevant to RDE-turbine integration for stationary power generation.

Combustion↗
DOE OSTI2022

Coupled neutronic-thermal-hydraulic simulations of the European SFR core

Within the European SFR (Sodium-cooled Fast Reactor) - Safety Measures Assessment and Research Tools (ESFR-SMART) project, steady-state coupled simulation of the ESFR core has been performed using several core analysis packages, with the objective of quantifying the coupling effect. Focus is on the fuel Doppler effect and coolant expansion effect. Standalone neutronics calculations in TRACE/PARCS (PSI), DYN3D (HZDR) and WIMS (Jacobs) showed superb agreement with the reference Serpent power distribution (root mean square - rms discrepancies of 1.3%, 1.5% and 0.7% respectively). Results for COUNTHER (CIEMAT) were also in reasonable agreement, but with a somewhat higher discrepancy of 3.7%. Temperature distributions from thermal-hydraulic calculations were also compared and are found to be in good agreement. The effect of Doppler and coolant density feedback on core power distribution was predicted by TRACE/PARCS, DYN3D and WIMS to be between 0.4% and 0.8% rms difference in assembly powers. Reactivity coefficients for perturbations in the inlet temperature, flow rate and core power were shown to be negative for these three codes, with values of roughly -0.5 pcm/C. degree, -0.3 pcm/C. degree and -3.5 pcm/C. degree respectively. A preliminary investigation of differential thermal expansion effects indicates that this may have a significant effect on core power distribution of a few %, greater than anticipated a priori and may warrant inclusion in coupled core analysis to ensure the accurate calculation of power distributions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Development and Integration of a Stochastic Clad Damage Propagation Model into PRONGHORN-SC Subchannel Analysis Code

The failure of fuel pins in nuclear reactors is intrinsically stochastic. Typically, a combination of variation in manufacturing that affects the material characteristics and the fuel assembly dimensions, variation in operating conditions, such as local power, coolant flow rate, and irradiation induced changes in material properties lead to a large uncertainty in failure margin of the fuel pins. Failure, therefore, may occur in exceptional pins with adverse combinations of these variations. Upon a metal fuel pin (U-Pu-Zr/HT9) failure, depressurization of the fuel pin takes place by release of fission gas, liquid sodium bond, and potentially solid fuel particles or molten/eutectic fuel droplets through the hole in cladding. The effect of a fission gas jet on neighbor fuel pins and possible propagation of a clad damage during normal operation was studied experimentally in 1970s and it was found that the post-failure fission gas jet insulates the jet impingement area of the target fuel pin surface and could increase the target pin’s surface temperature by as much as 100 – 200 K during the failed pin depressurization. It was concluded that the effect should not lead to fuel pin failure propagation during normal operation. In accident scenarios of sodium and lead fast reactors such as Unprotected Loss-Of-Flow (ULOF) or Unprotected Transient Over Power (UTOP), the fuel pins can be subjected to higher clad temperatures and fuel pin pressures or fuel clad mechanical/chemical interaction where thermal creep margin becomes significantly lower compared to the normal operation conditions. Therefore, possible stochastic failure and the post-failure fission gas/fuel jet impingement could be critical in order to predict fuel pin failure propagation. Pin depressurization due to fission gas release may degrade the heat transfer by formation of a gas blanket on a neighboring pin surface, which is a local phenomenon, and by causing coolant flow deceleration and starvation, which could affect a surrounding region as well. Furthermore, the potential presence of solid fuel particles or molten fuel at the time of clad failure could boost post-failure jet induced degradation even further. The present study models the U-Pu-Zr/HT9 metal fuel pin failure and stochastic clad damage propagation by biased sampling based on a Cumulative Damage Fraction (CDF) type clad failure criterion and the normal distribution of fuel failure probability density as a function of logarithm of Cumulative Damage Fraction. In addition, the effect of post-failure fission gas jet on heat transfer degradation is modeled for the target pins. This model is called stochastic Clad Damage Propagation (CDAP). The CDAP model is now fully integrated into developmental version of PRONGHORN-SC subchannel analysis code, allowing for modeling local failures and its propagation potential. Section 2 describes the components of the CDAP models. Section 3 describes the model implementation to PRONGHORN-SC and input specifications. Section 4 describes the CDAP model validation coupled to PRONGHORN-SC.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Collaborative investigation of the internal flow and near-nozzle flow of an eight-hole gasoline injector (Engine Combustion Network Spray G)

The internal details of fuel injectors have a profound impact on the emissions from gasoline direct injection engines. However, the impact of injector design features is not currently understood, due to the difficulty in observing and modeling internal injector flows. Gasoline direct injection flows involve moving geometry, flash boiling, and high levels of turbulent two-phase mixing. In order to better simulate these injectors, five different modeling approaches have been employed to study the engine combustion network Spray G injector. Here these simulation results have been compared to experimental measurements obtained, among other techniques, with X-ray diagnostics, allowing the predictions to be evaluated and critiqued. The ability of the models to predict mass flow rate through the injector is confirmed, but other features of the predictions vary in their accuracy. The prediction of plume width and fuel mass distribution varies widely, with volume-of-fluid tending to overly concentrate the fuel. All the simulations, however, seem to struggle with predicting fuel dispersion and by inference, jet velocity. This shortcoming of the predictions suggests a need to improve Eulerian modeling of dense fuel jets.

ECN↗
DOE OSTI2024

Electrochemical Conversion of CO 2 to Methyl Formate in a Flow Electrolyzer with Mixed Propylene Carbonate/Methanol Catholyte

Despite the promise of electrochemical carbon dioxide reduction as a technology for the production of clean fuels and decarbonization of the chemical industry, research has mostly focused on aqueous systems with a relatively limited set of products that have been achieved via electrosynthesis. Increasingly, CO 2 electroreduction in nonaqueous solvents is being pursued to develop new avenues for expanding the suite of products that can be made with high selectivity. CO 2 reduction in alcohols coupled with in situ esterification to produce esters is one such route that utilizes nonaqueous electrolyte. To be practical, such electrochemical syntheses need to be translated to a high-performance reactor such as a flow electrolyzer. However, many organic solvents, such as alcohols, wet and flood porous electrodes, thus impeding reactor performance. In this work, methanol was mixed with propylene carbonate as a catholyte for a gas-fed CO 2 flow electrolyzer that avoided cathode flooding. Simultaneously, a dual aqueous anolyte was used for water oxidation as a scalable and sustainable anodic half-reaction. The performance effect of methanol concentration, catholyte acidity, CO 2 flow rate, and dilute water in the catholyte were investigated. With 10 vol % methanol in 90 vol % propylene carbonate, 63% faradaic efficiency for methyl formate ester product was sustained without cathode flooding. However, improvements are still needed to lower the cell resistance and further increase the operating current density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Study of effect of PWR cold leg temperature gradient on reactor core condition

Effects of temperature and flow gradients in Westinghouse designed three-loop Pressurized Water Reactor (PWR) cold legs, the piping between the main coolant pump and the reactor vessel, were evaluated using Computational Fluid Dynamics (CFD) code STAR CCM+ and coupled neutronic and thermal-hydraulic (T/H) code system VERA. In the parametric study, several symmetric and asymmetric temperature gradients that were significantly larger than those observed from plant measurements were applied to the cold leg inlets for comparison with the base case without any temperature gradient. A CFD model using the STAR-CCM+ code was developed for a portion of the RCS region between the Reactor Coolant Pump (RCP) and the core inlet based on previously validated modeling approach. The CFD simulation results were processed for the temperature and flow rate distributions at the core inlet as input to the VERA calculations. The VERA code system consists of COBRA-TF (CTF) for thermal-hydraulics, MPACT for reactor physics and neutron transport, and ORIGEN for isotopic depletion. The VERA model was for depletion calculations of a high-burnup loading pattern with the reactor core in pin-by-pin and subchannel resolution. The results of the study indicate that the postulated temperature gradients within the PWR cold legs do not result in any significant changes in the core inlet temperature distributions and the core power distributions during the reactor operation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

In vivo evaluation of an adaptive resuscitation controller using whole blood and crystalloid infusates for hemorrhagic shock

Introduction Hemorrhage remains the leading cause of preventable death on the battlefield. The most effective means to increase survivability is early hemorrhage control and fluid resuscitation. Unfortunately, fluid resuscitation requires constant adjustments to ensure casualty is properly managed, which is often not feasible in the pre-hospital setting. In this study, we showed how an adaptive closed-loop controller for hemorrhage resuscitation can be used to automate hemodynamic management using a swine hemorrhagic shock injury model. Methods The adaptive resuscitation controller (ARC) was previously developed to track pressure–volume responsiveness in real time and adjust its infusion rate to reach the target mean arterial pressure (MAP). Swine while maintained under a surgical plane of anesthesia and analgesia underwent a splenectomy, followed by two hemorrhage and resuscitation events. For the first resuscitation event, hemorrhage was induced to reduce the MAP to 35 mmHg until arterial lactate reached 4 mmol/L. The ARC system then infused whole blood (WB) to reach the target MAP and maintained the subject using crystalloids for 120 min. For the second resuscitation event, the subjects were hemorrhaged again but resuscitated using only crystalloid infusion to reach the target MAP and 120-min maintenance. Results The ARC was effective at WB resuscitation, reaching the target MAP in 2.0 ± 1.0 min. The median performance error was 1.1% ± 4.6%, and target overshoot was 14.4% ± 7.0% of the target MAP. The ARC maintained all animals throughout the 120 min maintenance period. For the second crystalloid-based resuscitation, ARC required a longer time to reach the target MAP, at an average rise time of 4.3 ± 4.0 min. However, target overshoot was reduced to 8.4% ± 7.3% of the target MAP. Much higher flow rates were required to maintain the target MAP during the second resuscitation event than during the first resuscitation event. Discussion The ARC was able to rapidly reach and maintain the target MAP effectively. However, this sometimes required large volumes of fluid as the ARC’s only goal was to reach the target MAP. Further clinical insight is needed regarding the preferred aggression level to achieve the target MAP. In conclusion, the ARC was successful in its programmed objective of reaching and maintaining the target MAP for extended periods of time in vivo , a critical next step toward improving hemorrhage treatment in the pre-hospital environment.

Snider, Eric J.↗
DOE OSTI2022

Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions

Many materials of interest to Sandia transition from fluid to solid or have regions of both phases coexisting simultaneously. Currently there are, unfortunately, no material models that can accurately predict this material response. This is relevant to applications that "birth stress" related to geoscience, nuclear safety, manufacturing, energy production and bioscience. Accurately capturing solidification and residual stress enables fully predictive simulations of the evolving front shape or final product. Accurately resolving flow of proppants or blood could reduce environmental impact or lead to better treatments for heart attacks, thrombosis, or aneurism. We will address a science question in this proposal: When does residual stress develop during the critical transition from liquid to solid and how does it affect material deformation? Our hypothesis is that these early phases of stress development are critical to predictive simulation of material performance, net shape, and aging. In this project, we use advanced constitutive models with yield stress to represent both fluid and solid behavior simultaneously. The report provides an abbreviated description of the results from our LDRD "Stress Birth and Death: Disruptive Computational Mechanics and Novel Diagnostics for Fluid-to-Solid Transitions," since we have written four papers that document the work in detail and which we reference. We give highlights of the work and describe the gravitationally driven flow visualization experiment on a model yield stress fluid, Carbopol, at various concentrations and flow rates. We were able to collapse the data on a single master curve by showing it was self-similar. We also describe the Carbopol rheology and the constitutive equations of interest including the Bingham-Carreau-Yasuda model, the Saramito model, and the HB-Saramito model including parameter estimation for the shear and oscillatory rheology. We present several computational models including the 3D moving mesh simulations of both the Saramito models and Bingham-Carreau-Yasuda (BCY) model. We also show results from the BCY model using a 3D level set method and two different ways of handling reduced order Hele-Shaw modeling for generalized Newtonian fluids. We present some first ever two-dimensional results for the modified Jeffries Kamani-Donley-Rogers constitutive equation developed during this project. We include some recent results with a successful Saramito-level set coupling that allows us to tackle problems with complex geometries like mold filling in a thin gap with an obstacle, without the need for remeshing or remapping. We report on some experiments for curing systems where fluorescent particles are used to track material flow. These experiments were carried out in an oven on Sylgard 184 as a model polymerizing system. We conclude the report with a summary of accomplishments and some thoughts on follow-on work.

36 MATERIALS SCIENCE↗
DOE OSTI2024

DASSH-F: Subchannel Based Thermal Analysis

The DASSH thermal analysis code is designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. The advantage of using DASSH over a hand calculation is that it has a more rigorous treatment of the pin power distribution and coolant heat transfer within an assembly and between assemblies. The advantage of using DASSH over a conventional 3D subchannel code or a computational fluid dynamics code (CFD) is that it can obtain the desired solution in a matter of minutes in serial with minor computer memory needs. The DASSH methodology is virtually identical to SUPERENERGY-2 with additional functionalities taken from follow on work to SUPERENERGY-2 done at ANL in the 1980s. DASSH today is an integral component of the Argonne Fast Reactor analysis suite for reactor design work. DASSH obtains the power distribution from a coupled neutron-gamma heating calculation in GAMSOR (including DIF3D) at each time point of a companion fuel cycle analysis calculation with REBUS. The domain in DASSH assumes a hexagonal grid typical for fast reactors with much of the geometry information taken from the DIF3D model. DASSH assumes the assemblies that are loaded into each grid position are ducted to control the coolant flow. Considerable detail is given on the subchannel formulation of DASSH in this document. Much of the formulation and design of the code builds upon research done by previous authors with little new investigation. Thus the decisions made in developing the subchannel model used in DASSH have their origins over 50 years ago. Much of the heat transfer methodology in DASSH is built upon correlations for both the coolant mixing and heat transfer coefficients for pins and ducts. DASSH is thus not a rigorous treatment of a given problem, but a rapid assessment of the temperature field that has known limitations with respect to an experimental measurement or CFD calculation. The DASSH input and output are detailed along with usage of the software. The DASSH output provides tables of evaluated material properties and key coolant and pin temperature results. DASSH can create Python scripts that generate domain summary pictures. DASSH can also generate assembly temperature maps and VTK output files which allow the DASSH solution to be visualized. As the primary purpose of the DASSH software is to compute the coolant and fuel pin temperature distribution for a given model of a reactor, much of the output focus is giving the user quick summary tables needed to assess the performance of a given orifice flow specification. The present version of DASSH has a crude orifice search capability and an efficient orifice flow search capability. The flow search tries to meet user specified constraints for 1) peak 2-sigma clad midwall temperature, 2) peak coolant temperature, and 3) desired bulk outlet temperature. There are many development shortcomings in DASSH detailed in this document, but this version is functional for modern analysis needs. This document serves as the manual for the Fortran based DASSH software that was developed to replace the Python version of DASSH developed as part of the VTR program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

DASSH-F: Subchannel Based Thermal Analysis

The DASSH thermal analysis code is designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. The advantage of using DASSH over a hand calculation is that it has a more rigorous treatment of the pin power distribution and coolant heat transfer within an assembly and between assemblies. The advantage of using DASSH over a conventional 3D subchannel code or a computational fluid dynamics code (CFD) is that it can obtain the desired solution in a matter of minutes in serial with minor computer memory needs. The DASSH methodology for pin lattice models is virtually identical to SUPERENERGY-2 with additional functionalities taken from follow on work to SUPERENERGY-2 done at ANL in the 1980s. DASSH today is an integral component of the Argonne Fast Reactor analysis suite for reactor design work. DASSH obtains the power distribution from a coupled neutron-gamma heating calculation in GAMSOR (including DIF3D) at each time point of a companion fuel cycle analysis calculation with REBUS. The domain in DASSH assumes a hexagonal grid typical for fast reactors with much of the geometry information taken from the DIF3D model. DASSH assumes the assemblies that are loaded into each grid position are ducted to control the coolant flow. The user can alternatively provide their own geometry and power profile instead of inheriting it from DIF3D. Considerable detail is given on the subchannel formulation of DASSH in this document. Much of the formulation and design of the code builds upon research done by previous authors with little new investigation. Thus the decisions made in developing the subchannel model used in DASSH have their origins over 50 years ago. Much of the heat transfer methodology in DASSH is built upon correlations for both the coolant mixing and heat transfer coefficients for pins and ducts. DASSH is thus not a rigorous treatment of a given problem, but a rapid assessment of the temperature field that has known limitations with respect to an experimental measurement or CFD calculation. The DASSH input and output are detailed along with usage of the software. The DASSH output provides tables of evaluated material properties and key coolant and pin temperature results. DASSH can create Python scripts that generate domain summary pictures. DASSH can also generate assembly temperature maps and VTK output files which allow the DASSH solution to be visualized. As the primary purpose of the DASSH software is to compute the coolant and fuel pin temperature distribution for a given model of a reactor, much of the output focus is giving the user quick summary tables needed to assess the performance of a given orifice flow specification. The present version of DASSH has a crude orifice search capability and a sufficient orifice flow search capability. The flow search tries to meet user specified constraints for 1) peak 2-sigma clad temperature, 2) peak coolant temperature, and 3) desired bulk outlet temperature. This document serves as the manual for the Fortran based DASSH software that was developed to replace the Python version of DASSH developed as part of the VTR program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Dependence of Uranium Oxide Polymorphism on Plasma Synthesis Conditions

Here, we synthesized uranium oxide nanoparticles using a plasma flow reactor (PFR) and studied the effects of three different experimental parameters on the resulting morphologies and speciation of the particles: (1) collection duration, (2) collection substrate temperature, and (3) radial collection position due to radial temperature gradients in the PFR. We also induced three distinct temperature histories along the axis of the plasma flow reactor by varying the gas flow rates downstream of the plasma torch. Transmission electron microscopy (TEM) analyses of collected particles showed two phases of uranium oxides (fcc-UO 2 and α-UO 3 ). The chemical compositions of the resulting uranium oxide particles were not altered by the three parameters investigated in this work but varied based on the temperature history induced. Preheating of the collection substrate led to deposition of fewer particles, which is attributed to a reduction in thermophoretic force caused by the reduced temperature gradient for preheated substrates. The relative amounts of UO 2 to UO 3 and particle size varied depending on the cooling history employed during synthesis.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

A hybrid numerical and machine learning framework for evaluating the performance of a 780 cm 2 aqueous organic redox flow battery

Aqueous organic redox flow battery (AORFB) is a promising cost-competitive technology for large-scale energy storage. Among existing work, the dihydroxyphenazine (DHP)-based AORFB has demonstrated high energy density and low capacity degradation in 10 cm2 cells during lab tests. However, its commercial-scale performance in more complex environments remains unknown, posing a barrier for commercialization. To address this gap, this work presents a comprehensive performance evaluation of a 780 cm 2 DHP-based AORFB by combining physics-based numerical model, machine learning (ML)-based surrogate models, and ML-derived sensitivity quantification. Specifically, we first select 12 key battery parameters that include 10 physicochemical quantities and 2 operation quantities, then select 6 performance metrics that include energy efficiency (EE), discharging capacity, charging energy, and power losses due to concentration, activation, and ohmic over-potentials. With such selection, 12800 combinations of the 12 parameters are subsequently generated using the Latin Hypercube Sampling method. These combinations, together with 38 pre-defined State of Charge, are then integrated to a validated AORFB model developed in COMSOL to compute the performance metrics. With both input parameters and performance metrics, 60 deep neural network (DNN) surrogate models are then trained to approximate the relationship between the 10 physicochemical quantities and 6 performance metrics at each flow rate and current density. Sensitivity scores are then calculated based on the DNN models. Two additional sensitivity analysis tools, i.e., MARS, and SHAP, are also used to cross-validate the sensitivity scores from the DNN. The results demonstrate that 1) the standard potential ranks the first in controlling EE and charging energy, 2) the membrane conductivity is most critical for power loss and EE, and 3) specific area and reaction rate control activation power loss.

25 ENERGY STORAGE↗