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DOE OSTI2022

An aggregation-based nonlinear multigrid solver for two-phase flow and transport in porous media

A nonlinear multigrid solver for two-phase flow and transport in a mixed fractional-flow velocity-pressure-saturation formulation is proposed. The solver, which is under the framework of the full approximation scheme (FAS), extends our previous work on nonlinear multigrid for heterogeneous diffusion problems. The coarse spaces in the multigrid hierarchy are constructed by first aggregating degrees of freedom, and then solving some local flow problems. The mixed formulation and the choice of coarse spaces allow us to assemble the coarse problems without visiting finer levels during the solving phase, which is crucial for the scalability of multigrid methods. Specifically, a natural generalization of the upwind flux can be evaluated directly on coarse levels using the precomputed coarse flux basis vectors. We find that the resulting solver is applicable to problems discretized on general unstructured grids. The performance of the proposed nonlinear multigrid solver in comparison with the standard single level Newton's method is demonstrated through challenging numerical examples. It is observed that the proposed solver is robust for highly nonlinear problems and clearly outperforms Newton's method in the case of high Courant-Friedrichs-Lewy (CFL) numbers.

58 GEOSCIENCES↗

DOE OSTI2024

Evaluation of RANS vs. LES simulation of fluid flow through 3 × 3 rod bundle with a simple spacer grid as a precursor to coupled fluid–structure interaction simulations

The research literature on Computational Fluid Dynamics (CFD) of coolant flow through rod bundles with spacer-grids and mixing vanes is replete, ranging from high fidelity Large Eddy Simulation (LES)/Direct Numerical Simulation (DNS) simulations to Reynolds-Averaged Navier–Stokes (RANS) modeled studies. The mixing of flow between subchannels and the pressure drop through the bundle are fundamental quantities useful for comparing and evaluating CFD methods. Less commonly observed and compared are the forces exerted onto the structure by the fluid. The present study seeks to evaluate the use of RANS simulations for predicting the structural response to fluid flow. Wall resolved RANS simulations are benchmarked against LES simulations of fluid flow at a Reynolds number of 15,000 through a 3 × 3 fuel rod bundle with a simple spacer grid. Velocity line-plots are compared showing good agreement between RANS and LES results, ascertaining that the former is capable of capturing the essential time-averaged velocity profile. Additionally, the distribution of forces on the spacer grid and fuel rods are collected as a function of time and space. The RANS methods are evaluated using the frequency and magnitude of the fluctuating forces on various portions of the structure as compared to LES. In conclusion, the power spectral density evaluation of the models reveal underprediction of force amplitude on the rod walls by RANS and also discrepancy in the prediction of high frequency spectra, especially in the immediate vicinity of spacer-grid structure, which may be attributed to the lack of random turbulence fluctuation or insufficient modeling of small-scale eddies in RANS simulation.

FIV↗

DOE OSTI2021

Shear-free mixing to achieve accurate temporospatial nanoscale kinetics through scanning-SAXS: ion-induced phase transition of dispersed cellulose nanocrystals

Time-resolved in situ characterization of well-defined mixing processes using small-angle X-ray scattering (SAXS) is usually challenging, especially if the process involves changes of material viscoelasticity. In specific, it can be difficult to create a continuous mixing experiment without shearing the material of interest; a desirable situation since shear flow both affects nanoscale structures and flow stability as well as resulting in unreliable time-resolved data. Here, we demonstrate a flow-focusing mixing device for in situ nanostructural characterization using scanning-SAXS. Given the interfacial tension and viscosity ratio between core and sheath fluids, the core material confined by sheath flows is completely detached from the walls and forms a zero-shear plug flow at the channel center, allowing for a trivial conversion of spatial coordinates to mixing times. With this technique, the time-resolved gel formation of dispersed cellulose nanocrystals (CNCs) was studied by mixing with a sodium chloride solution. It is observed how locally ordered regions, so called tactoids, are disrupted when the added monovalent ions affect the electrostatic interactions, which in turn leads to a loss of CNC alignment through enhanced rotary diffusion. The demonstrated flow-focusing scanning-SAXS technique can be used to unveil important kinetics during structural formation of nanocellulosic materials. However, the same technique is also applicable in many soft matter systems to provide new insights into the nanoscale dynamics during mixing.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Mixed higher-order anisotropic flow and nonlinear response coefficients of charged particles in $\mathrm {PbPb}$ collisions at $\sqrt{\smash [b]{s_{_{\mathrm {NN}}}}} = 2.76$ and 5.02$\,\text {TeV}$

Anisotropies in the initial energy density distribution of the quark-gluon plasma created in high energy heavy ion collisions lead to anisotropies in the azimuthal distributions of the final-state particles known as collective anisotropic flow. Fourier harmonic decomposition is used to quantify these anisotropies. The higher-order harmonics can be induced by the same order anisotropies (linear response) or by the combined influence of several lower order anisotropies (nonlinear response) in the initial state. The mixed higher-order anisotropic flow and nonlinear response coefficients of charged particles are measured as functions of transverse momentum and centrality in $\mathrm {PbPb}$ collisions at nucleon-nucleon center-of-mass energies $\sqrt{\smash [b]{s_{_{\mathrm {NN}}}}} = 2.76$ and 5.02$\,\text {TeV}$ with the CMS detector. The results are compared with viscous hydrodynamic calculations using several different initial conditions, as well as microscopic transport model calculations. None of the models provides a simultaneous description of the mixed higher-order flow harmonics and nonlinear response coefficients.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

A Flow Rate Dependent 1D Model for Thermally Stratified Hot-Water Energy Storage

Stratified tank models are used to simulate thermal storage in applications such as residential or commercial hot-water storage tanks, chilled-water storage tanks, and solar thermal systems. The energy efficiency of these applications relates to the system components and the level of stratification maintained during various flow events in the tank. One-dimensional (1D) models are used in building energy simulations because of the short computation time but often do not include flow-rate dependent mixing. The accuracy of 1D models for plug flow, plug flow with axial conduction, and two convection eddy-diffusivity models were compared with experimental data sets for discharging a 50-gal residential tank and recharging the tank with hot water from an external hot-water source. A minimum and maximum relationship for the eddy diffusivity factor were found at Re <2100 and >10,000 for recirculation of hot water to the top of the tank and vertical tubes inletting cold water at the bottom. The root mean square error decreased from >4 °C to near 2 °C when considering flow-based mixing models during heating, while the exponential decay of the eddy diffusion results in a root mean square error reduction of 1 °C for cone-shaped diffusers that begin to relaminarize flow at the inlet.

1D flow model↗

DOE OSTI2024

Heat transfer and transport property contrast effects on the compressible Rayleigh-Taylor instability

In extreme environments, the Rayleigh-Taylor instability (RTI) may occur under large variations in density and temperature and with fluid transport properties strongly dependent on temperature. Direct numerical simulations of the 3D fully compressible RTI are conducted, examining the idealized configuration of a hotter, less dense fluid pushing against a colder, denser fluid. Various temperature ratios and transport property configurations are explored to examine how heat conduction, large variations in transport properties, and sudden changes in transport properties can affect the evolution of the mixing layer. Nonuniform fluid expansion and contraction induced by heat transfer can significantly affect local density differences and overall instability growth, causing profile asymmetries about the initial interface for flow and mixing statistics. The departures from classical self-similar development of the instability along with misalignment between regions of mixing and regions of most intense turbulent activity caused by both heat transfer and transport property contrasts are examined. After sudden changes in fluid transport properties, which may occur as a result of rapid heating (e.g., in inertial confinement fusion), the flow quickly responds and begins to relax towards quasi-self-similar late-time evolution. For many dynamical quantities such as vorticity and dissipation, this late-time evolution resembles that of the configuration that already started with the final transport property magnitudes, suggesting that these quantities depend only on the transport properties and not on past flow history, provided that the density field distributions for the flows remain similar. On the other hand, the mixing evolution after the transport property change is unique, implying that both property magnitudes and previous history are impactful on the mixing. In conclusion, these simulations demonstrate how various temperature-related effects are extremely important to consider in compressible RTI flows with large temperature variations.

42 ENGINEERING↗

DOE OSTI2023

Passenger cabin air distribution system and method of using

A passenger cabin air distribution system includes a ventilation system and an ejector-diffuser. The ventilation system is operable to provide a conditioned air. The ejector-diffuser is positioned to receive a flow of the conditioned air from the ventilation system. The ejector-diffuser includes an induction unit and a diffuser section. The induction unit includes a secondary inlet in communication with a cabin air from a passenger cabin and is configured to mix the flow of the conditioned air with an induced flow of the cabin air into a mixed air. The diffuser section includes a discharge to eject the mixed air to the passenger cabin. The diffuser section is shaped to provide for efficient mixing with low backpressure in order to maintain the low motive pressure in the nozzle.

42 ENGINEERING↗

DOE OSTI2024

Coherent structures in stably stratified wall-bounded turbulent flows

To date, a growing body of literature has documented the existence and impacts of coherent structures known as large- and very-large-scale motions within wall-bounded turbulent flows under neutral and unstable thermal stratification. These coherent structures can account for a considerable fraction of the overall turbulent transport and have been found to modulate small-scale turbulent fluctuations near the wall. In the context of stably stratified flows, however, the examination of such coherent structures has garnered relatively little attention. Stable stratification limits vertical transport and turbulent mixing within flows, which makes it unclear the extent to which previous findings on coherent structures under unstable and neutral stratification are applicable to stably stratified flows. In this study, we investigate the existence and characteristics of coherent structures under stable stratification with a wide range of statistical and spectral analyses. Outer peaks in premultiplied spectrograms under weak stability indicate the presence of large-scale motions, but these peaks become weaker and eventually vanish with increasing stability. Quadrant analysis of turbulent transport efficiencies (the ratio of net fluxes to their respective downgradient components) demonstrates dependencies on both stability and height above ground, which is evidence of morphological differences in the coherent structures under increasing stability. Amplitude modulation by large-scale streamwise velocity was found to decrease with increasing gradient Richardson number, whereas modulation by large-scale vertical velocity was approximately zero across all stability ranges. For sufficiently stable stratification, large eddies are suppressed enough to limit any inner–outer scale interactions.

Greene, Brian R. (ORCID:0000000343766818)↗

DOE OSTI2021

Two-Phase Turbulence Statistics from High Fidelity Dispersed Droplet Flow Simulations in a Pressurized Water Reactor (PWR) Sub-Channel with Mixing Vanes

In the dispersed flow film boiling regime (DFFB), which exists under post-LOCA (loss-of-coolant accident) conditions in pressurized water reactors (PWRs), there is a complex interplay between droplet dynamics and turbulence in the surrounding steam. Experiments have accredited particular significance to droplet collision with the spacer-grids and mixing vane structures and their consequent positive feedback to the heat transfer recorded in the immediate downstream vicinity. Enabled by high-performance computing (HPC) systems and a massively parallel finite element-based flow solver—PHASTA (Parallel Hierarchic Adaptive Stabilized Transient Analysis)—this work presents high fidelity interface capturing, two-phase, adiabatic simulations in a PWR sub-channel with spacer grids and mixing vanes. Selected flow conditions for the simulations are informed by the experimental data found in the literature, including the steam Reynolds number and collision Weber number (Wec={40,80}), and are characteristic of the DFFB regime. Data were collected from the simulations at an unprecedented resolution, which provides detailed insights into the continuous phase turbulence statistics, highlighting the effects of the presence of droplets and the comparative effect of different Weber numbers on turbulence in the surrounding steam. Further, axial evolution of droplet dynamics was analyzed through cross-sectionally averaged quantities, including droplet volume, surface area and Sauter mean diameter (SMD). The downstream SMD values agree well with the existing empirical correlations for the selected range of Wec. The high-resolution data repository from the simulations herein is expected to be of significance to guide model development for system-level thermal hydraulic codes.

Saini, Nadish↗

DOE OSTI2021

Understanding long-term groundwater flow at Pahute Mesa and vicinity, Nevada National Security Site, USA, from naturally occurring geochemical and isotopic tracers

Abstract Recently collected naturally occurring geochemical and isotopic groundwater tracers were combined with historic data from the Pahute Mesa area of the Nevada National Security Site (NNSS), Nevada, USA, to provide insights into long-term regional groundwater flow patterns, mixing and recharge. Pahute Mesa was the site of 85 nuclear detonations between 1965 and 1992, many of them deeply buried devices that introduced radionuclides directly into groundwater. The dataset examined included major ions and field measurements, stable isotopes of hydrogen (δ 2 H), oxygen (δ 18 O), carbon (δ 13 C) and sulfur (δ 34 S), and radioisotopes of carbon ( 14 C) and chloride ( 36 Cl). Analysis of the patterns of groundwater 14 C data and the δ 2 H and δ 18 O signatures indicates that groundwater recharge is predominantly of Pleistocene age, except for a few localized areas near major ephemeral drainages. Steep gradients in sulfate (SO 4 ) and chloride (Cl) define a region near the western edge of the NNSS where high-concentration groundwater flowing south from north of the NNSS merges with dilute groundwater flowing west from eastern Pahute Mesa in a mixing zone that coincides with a groundwater trough associated with major faults. The 36 Cl/Cl and δ 34 S data suggest that the source of the high Cl and SO 4 in the groundwater was a now-dry, pluvial-age playa lake north of the NNSS. Patterns of groundwater flow indicated by the combined data sets show that groundwater is flowing around the northwest margin of the now extinct Timber Mountain Caldera Complex toward regional discharge areas in Oasis Valley.

58 GEOSCIENCES↗

DOE OSTI2020

Special Issue: To Commemorate the Legacy of Malcolm J. Andrews—Scientist, Educator, and Leader

This special issue celebrates the scientific legacy of Dr. Malcolm J. Andrews, former Editor of the ASME Journal of Fluids Engineering (2010–2018). Malcolm devoted his career to the development and applications of computational, experimental, and analytical tools to investigate and solve diverse, complex fluid dynamics, and heat transfer problems. Malcolm’s most notable research accomplishments include: (i) contributions to innovative experiments, simulations, and theory to understand buoyancydriven turbulent mixing due to Rayleigh–Taylor instability; (ii) development of the multiphase particle-in-cell method for understanding fragmentation in spray jets, coal-water slurry, and other dense particulate flows; (iii) mixing in nano- and biomaterials in applications ranging from protein glues to carbon nanotube composites; (iv) determining dispersion in proteins to improve therapeutic drug delivery via micro-encapsulation; (v) innovative methods for storing information using nanopinned dipole magnetic vortices in superconducting materials; and (vi) modeling and design modifications for shell-and-tube heat exchangers, as well as heat transfer in rotating systems such as turbine blades. The results of his research have been published in a long series of trend-setting journal and conference papers, book chapters, and patents.

42 ENGINEERING↗

DOE OSTI2024

Hydrodynamical Simulations of Proton Ingestion Flashes in Type I X-Ray Bursts

We perform the first multidimensional fluid simulations of thermonuclear helium ignition underneath a hydrogen-rich shell. This situation is relevant to Type I X-ray bursts on neutron stars that accrete from a hydrogen-rich companion. Using the low-Mach number fluid code MAESTROeX, we investigate the growth of the convection zone due to nuclear burning, and the evolution of the chemical abundances in the atmosphere of the star. We also examine the convective boundary mixing processes that cause the evolution to differ significantly from previous one-dimensional simulations that rely on mixing-length theory. We find that the convection zone grows outward as penetrating fluid elements cool the overlying radiative layer, rather than directly from the increasing entropy of the convection zone itself. Simultaneously, these flows efficiently mix composition, carrying carbon out of and protons into the convection zone even before contact with the hydrogen shell. We discuss the implications of these effects for future modeling of these events and observations.

astrophysical fluid dynamics↗

DOE OSTI2023

Lightweight inorganic membrane module

An apparatus and system for separating a liquid from a mixed gas stream includes a porous graphite foam support comprising graphite foam with pores having a first pore size and a membrane support surface. A porous condensation membrane layer is provided on the membrane support surface, and interlocked with the pores of the graphite foam. The condensation membrane layer includes capillary condensation pores having a second pore size that is less than the first pore size. A mixed gas stream passageway is in fluid communication with the condensation membrane layer. A liquid collection assembly collects condensed liquid from the condensation pores and the graphite foam support pores. A gas inlet is provided for flowing the mixed gas stream into the mixed gas stream passageway. A gas outlet is provided for exhausting gas from the mixed gas stream passageway. A method for separating a liquid from a mixed gas stream is also disclosed.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Investigation of thermal hydraulic behavior of the High Temperature Test Facility's lower plenum via large eddy simulation

A high-fidelity computational fluid dynamics (CFD) analysis was performed using the Large Eddy Simulation (LES) model for the lower plenum of the High–Temperature Test Facility (HTTF), a ¼ scale test facility of the modular high temperature gas-cooled reactor (MHTGR) managed by Oregon State University. In most next–generation nuclear reactors, thermal stress due to thermal striping is one of the risks to be curiously considered. This is also true for HTGRs, especially since the exhaust helium gas temperature is high. In order to evaluate these risks and performance, organizations in the United States led by the OECD NEA are conducting a thermal hydraulic code benchmark for HTGR, and the test facility used for this benchmark is HTTF. HTTF can perform experiments in both normal and accident situations and provide high-quality experimental data. However, it is difficult to provide sufficient data for benchmarking through experiments, and there is a problem with the reliability of CFD analysis results based on Reynolds–averaged Navier–Stokes to analyze thermal hydraulic behavior without verification. To solve this problem, high-fidelity 3-D CFD analysis was performed using the LES model for HTTF. It was also verified that the LES model can properly simulate this jet mixing phenomenon via a unit cell test that provides experimental information. As a result of CFD analysis, the lower the dependency of the sub-grid scale model, the closer to the actual analysis result. In the case of unit cell test CFD analysis and HTTF CFD analysis, the volume-averaged sub-grid scale model dependency was calculated to be 13.0% and 9.16%, respectively. As a result of HTTF analysis, quantitative data of the fluid inside the HTTF lower plenum was provided in this paper. As a result of qualitative analysis, the temperature was highest at the center of the lower plenum, while the temperature fluctuation was highest near the edge of the lower plenum wall. The power spectral density of temperature was analyzed via fast Fourier transform (FFT) for specific points on the center and side of the lower plenum. FFT results did not reveal specific frequency-dominant temperature fluctuations in the center part. It was confirmed that the temperature power spectral density (PSD) at the top increased from the center to the wake. The vortex was visualized using the well-known scalar Q-criterion, and as a result, the closer to the outlet duct, the greater the influence of the mainstream, so that the inflow jet vortex was dissipated and mixed at the top of the lower plenum. Additionally, FFT analysis was performed on the support structure near the corner of the lower plenum with large temperature fluctuations, and as a result, it was confirmed that the temperature fluctuation of the flow did not have a significant effect near the corner wall. In addition, the vortices generated from the lower plenum to the outlet duct were identified in this paper. It is considered that the quantitative and qualitative results presented in this paper will serve as reference data for the benchmark.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Scaling the polymerization of polyaldehydes through continuous flow synthesis

Abstract A plug flow reactor was constructed to scale the synthesis of metastable, phthalaldehyde-based polymers to achieve production rates of 1–2 kg per day. The flow-induced mixing and in-line polymerization quench and precipitation sequences resulted in improved polymer purity and long-term stability compared to the same materials made from a conventional batch process. Cryogenic rheology was used to probe the complex fluid dynamics encountered during the polymerization of PPA homopolymers. It is envisioned that this continuous flow manufacturing approach could be extended to other low ceiling temperature or aldehyde monomer systems to help implement and support a plastic circular economy. Graphical abstract

Schwartz, Jared M.↗

DOE OSTI2025

Modeling the microplastic distribution along the Delaware River Estuary: Accumulation patterns and hydrodynamic influences

Microplastic pollution is an escalating environmental concern, particularly in densely populated estuary regions, where it poses significant threats to aquatic life and human health. The dispersion patterns of microplastic particles along estuaries are influenced and complicated by multiple environmental factors such as river flow, tidal mixing, salt intrusion, and estuarine circulation. This study examines the accumulation and dispersion patterns by modeling three typical classes of microplastics in the Delaware River Estuary: synthetic fibers, sinking plastic films, and rising plastic pellets. Our findings reveal specific areas with high microplastic accumulation for each type. Notably, the upper estuary regions exhibit significant retention of rising microplastics, associated with a region with reduced along-thalweg velocities downstream of Trenton, NJ and upstream of Philadelphia, PA. Conversely, synthetic fibers and sinking plastic films accumulate in the flow convergence zone near the bottom salinity front, typically downstream of Philadelphia. All of the microplastic accumulation hot spot locations are controlled by the balance of river discharge and salinity intrusions. During the dry season, microplastic accumulation hot spots shift upstream in the estuary, whereas in the wet season, the strong river discharge pushes them downstream. Furthermore, on the other hand, tidal mixing, settling, and resuspension processes strongly impact the spreading of microplastics along the river.

Delaware River Estuary↗

DOE OSTI2025

Rheo–Electric Foundations and Engineering of Carbon Slurry Flow Electrodes

Flowable carbon slurry electrodes promise continuous, scalable electrochemical desalination and energy storage when their rheology (flow and stability) and electronic connectivity are jointly optimized. This report integrates six complementary thrusts that we executed under the Laboratory Directed Research and Development (LDRD) project: (i) a fast, ex situ, centrifuge-compatible method to quantify pellet (packed slurry) electronic conductivity, with a validated cell constant (“shape factor”) and quantitative structure–property insights for carbon mixtures; (ii) a controlled circulation study showing that peristaltic pumping can irreversibly alter particle size and morphology over laboratory-relevant durations; (iii) development of a miniature jet pump that preserves particle integrity while achieving entrainment ratios of 2–4 at practical flow rates; (iv) a comprehensive mapping of how a representative non-ionic surfactant (Tween 20) collapses the carbon gel network, separating network-percolation losses from intrinsic particle contact resistance; (v) in-situ visualization revealing how gravitational settling and flow-driven mixing compete to control charge transport, with dynamic bed layers preventing saturation while achieving 30-fold local concentration enhancement; and (vi) a simple, widely adoptable fabrication route to structured, gas-nitrided titanium nitride (TiN) titanium current collectors that dramatically lower interfacial losses and enable geometry-driven performance gains. Together, these results provide a coherent toolchain and design rules to accelerate formulation screening, de-risk device prototyping, and standardize characterization for carbon slurry electrodes in flow-electrode capacitive deionization (FCDI), electrochemical flow capacitor (EFC), and related systems.

25 ENERGY STORAGE↗

DOE OSTI2022

Toward full simulations for a liquid metal blanket: part 2. Computations of MHD flows with volumetric heating for a PbLi blanket prototype at Ha ~10 4 and Gr ~10 12

On the pathway toward full simulations for a liquid metal (LM) blanket, this part 2 extends a previous study of purely magnetohydrodynamic (MHD) flows in a DCLL blanket in reference Chen et al (2020 Nucl. Fusion 60 076003) to more general conditions when the MHD flow is coupled with heat transfer. The simulated prototypic blanket module includes all components of a real LM blanket system, such as supply ducts, inlet and outlet manifolds, multiple poloidal ducts and a U-turn zone. Volumetric heating generated by fusion neutrons is added to simulate thermal effects in the flowing lead–lithium (PbLi) breeder. The MHD flow equations and the energy equation are solved with a DNS-type finite-volume code ‘MHD-UCAS’ on a very fine mesh of 470 × 10 6 cells. The applied magnetic field is 5 T (Hartmann number Ha ~ 10 4 ), the PbLi velocity in the poloidal ducts is 10 cm s –1 (Reynolds number Re ~10 5 ), whereas the maximum volumetric heating is 30 MW m –3 (Grashof number Gr ~ 10 12 ). Four cases have been simulated, including forced- and mixed-convection flows, and either an electrically conducting or insulating blanket structure. Various comparisons are made between the four computed cases and also against the purely MHD flows computed earlier in reference Chen et al (2020 Nucl. Fusion 60 076003) with regards to the (1) MHD pressure drop, (2) flow balancing, (3) temperature field, (4) flows in particular blanket components, and (5) 3D and turbulent flow effects. The strongest buoyancy effects were found in the poloidal ducts. In the electrically non-conducting blanket, the buoyancy forces lead to significant modifications of the flow structure, such as formation of reverse flows, whereas their effect on the MHD pressure drop is relatively small. In the electrically conducting blanket case, the buoyancy effects on the flow and MHD pressure drop are almost negligible.

Physics↗