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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A Kinetic Model of the Long-Term Corrosion of Glass-Ceramic Materials

Multiphase waste forms show promise for increased waste loading and for the ability to dispose of contaminated solid and particulate waste through direct densification. However, achieving predictive capability for long-term durability of multiphase waste forms, and thus assessing their possible deployment, requires expanding the current, limited knowledge base. Here, we describe the development of a corrosion model of a two-phase waste form consisting of crystals of known volume fraction embedded in a glass matrix. This model accounts for the dissolution of both the crystalline and glass phases as well as the hydration of the glass phase through an ion exchange reaction. Because of the large difference in solubility between the two phases, the reactive surface of the crystalline phase is a function of the extent of dissolution of the glass phase in this model. Model parameterization was performed using corrosion data, such as from single-pass flow-through tests, for the individual phases. The parameterized corrosion model was evaluated against static dissolution test data for a glass-ceramic multiphase waste form. This evaluation demonstrated the model’s ability to reproduce the time-dependent release of key tracers of glass and crystalline phase dissolution. Hence, the development of a kinetic model provides a pathway for long-term durability predictions and thus the use of multiphase waste forms in nuclear cleanup missions.

Kerisit, Sebastien N.↗
DOE OSTI2022

A scalable compressible volume of fluid solver using a stratified flow model

Here, in this paper, a Volume of Fluid method which uses a Stratified Flow model for flux calculation is proposed to solve a compressible multiphase flow in a way that has high parallel efficiency. The solver is part of an open-source computing tool to study fuel entrainment and combustion in the application of paraffin-based hybrid rocket motors. This paper focuses on the compressible Volume of Fluid solver for the liquid and gaseous phases in this environment. This solver uses perfect gas and stiffened gas models for equation of state, with the ability to easily add other models as desired. Additionally a comparison of a Riemann solver versus an AUSM+up scheme is conducted, showing improvement with the later in the solution of multiphase flows. This solver successfully reproduces shock tube cases with the expected accuracy, as well as simulating two-dimensional shear and gravity-driven flows. Results also show that the code is able to utilize a Stratified Flow model to evaluate shear flow without the need for interface reconstruction or gradient calculations. Finally, it is shown that the solver has near-ideal scaling under strong scaling tests as well as good performance in static scaling, giving improved performance over current options and implying future advancement of high-performance computing efficiency for multiphase flow solvers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Flow Loop Study of ECT-Based Volume Fraction Monitoring in Oil–Water Two-Phase Flows

Measurement of phase volume fractions in water-containing multiphase flows is necessary for the optimization of a host of industrial flow processes. Many water-containing multiphase flows can be classified as either water-dispersed or water-continuous mixtures. A recently developed approach based on Hanai’s mixture formula and utilizing electrical capacitance tomography (ECT) sensors have shown good potential for obtaining water volume fraction estimates in two-phase water-containing flows with different water salinity levels. However, the proposed approach was investigated via controlled experiments restricted to static configurations while, in practice, multiphase flows can be dynamic and unpredictable. In this work, we perform a flow loop study of the proposed ECT-based method for volume fraction estimation in oil–water two-phase flows. Here, we evaluate the performance of the proposed method in both water-dispersed and water-continuous flow regimes by employing different types of capacitive sensors in cylindrical arrangements and parallel-plate rectangular arrangements.

02 PETROLEUM↗
DOE OSTI2025

Experimental Investigation of Buoyant Flow in Realistic Bedforms With Heterogeneous Wettability

Submeter-scale geologic heterogeneity greatly affects CO 2 plume migration and retention. In this work, we present meter-scale laboratory experiments that can capture the impact of realistic submeter-scale geologic heterogeneity on multiphase flow and trapping. We produce realistic sedimentary formations consisting of ripple deposits with varying grain size contrast and wettability in a meter-scale slab chamber. Then, we conduct multiphase flow experiments with analog fluids through these structures and measure the saturation patterns, capillary heterogeneity trapping (CHT), and overall trapping performance. When we alter the ripple bedform architecture, variations in trapped saturation and CHT (10–20%) increment are exhibited. Similar growth in trapping performance is also observed when grain size contrast increases. Finally, wettability changes (water- to oil-wet) can increase nonwetting saturation and CHT up to 5% and 10–20%, respectively. These results emphasize the importance of correctly characterizing the impact of small-scale heterogeneities and wettability changes. We believe this is the first time that multiphase flow experiments were conducted in meter-scale domains with realistic ripple bedforms and heterogeneous wettability to investigate plume migration and trapping.

58 GEOSCIENCES↗
DOE OSTI2020

Theoretical Review of the MFIX Fluid and Two-Fluid Models

MFIX (Multiphase Flow with Interphase eXchanges) is a general purpose code that can be used for describing the hydrodynamics, chemical reactions, and heat transfer of dense or dilute multiphase fluid flows. MFIX calculations give detailed information on pressure, temperature, composition, and velocity distributions in the defined system. This report provides an overview of MFIX’s expressions for single phase flow and continuous dispersed multiphase flow (i.e., the two-fluid model). In addition to the two fluid model (MFIX-TFM), MFIX contains a discrete element model (MFIX-DEM) and a multi-phase particle in cell model (MFIX-PIC) that are not reviewed within this document.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A Lattice Boltzmann Method for Predicting Porous Transport Layer Performance During Electrolysis

Electrolysis, the splitting of water into oxygen and hydrogen using electricity, is a sustainable way to produce green hydrogen for energy storage. In polymer electrolyte membrane (PEM) water electrolysis, water is brought into contact with charged catalyst layers and electrochemically separated into oxygen and hydrogen. The hydrogen product formed at the cathode is carried through the catalyst layer for eventual collection, while the oxygen by-product formed at the anode is removed from the surface via a multiphase interaction with circulating water and a solid porous transport layer (PTL). The design of this PTL aids in the detachment and advection of the oxygen by-product and thereby plays a role in the overall efficacy of the catalyst. In this presentation, we present our initial results modeling this multiphase system using a single-component, multiphase lattice Boltzmann method. We use the Shan-Chen model describing inter-particle forces to capture both the cohesion of the water (liquid) and oxygen (gas) phases and their interaction with the PTL (solid) (Shan and Chen, 1993). We use a Carnahan-Starling equation of state to model the effective density governing these inter-particle interactions which allows us to model this relatively high density ratio system (Carnahan and Starling, 1969). With these simulations, we show that the geometry and heterogeneity of the PTL geometry plays a large role in its ability to move oxygen away from the catalyst layer and the resulting bubble structures that are formed within the PTL. The current work demonstrates these effects using synthesized PTL geometries and 2D physics, which will be extended to experimentally-imaged PTL sections and 3D algorithms in the near future.

Boltzmann↗
DOE OSTI2023

Cost-constrained adaptive simulations of transient spray combustion in a gas turbine combustor

Predictive high-fidelity simulations of turbulent spray combustion must capture the combined effects of complex chemistry, multiphase evaporating flow and spray-flame interactions to achieve physical accuracy. Finite-rate chemistry (FRC) combined with a realistic chemical mechanism is a combustion model well-suited for this purpose, but has a high computational cost due to the large number and stiffness of transported chemical species. In contrast, flamelet-based models achieve lower cost by transporting a small number of quantities of reduced stiffness, but assumptions regarding local flame topology, boundary conditions and inter-phase coupling limit their physical accuracy. Recently, the Pareto-efficient combustion (PEC) framework was developed to dynamically assign combustion models based on local cost and accuracy metrics in gas-phase reacting flows. In this work, we extend this PEC framework to spray combustion through the rigorous analysis of the multiphase coupling terms in the governing equations. The derivation shows that spray evaporation causes errors in the prediction of species mass fractions for flamelet-based models due to the sensitivity of the local thermo-chemical state to changes in composition caused by fuel vaporization across combustion regimes present in practical spray combustion devices. Sub-model assignment is formulated as a multiple-choice knapsack problem, where computational cost is directly controlled through the fraction of the domain assigned to the FRC sub-model. The extended PEC formulation is applied to the simulation of a realistic rich-quench-lean gas turbine combustor at steady-state conditions, as well as transient operation resulting in lean blow-out (LBO). Analysis of transient simulations during LBO demonstrates the extended PEC formulation’s capacity to dynamically adapt to changing conditions within the combustor. Transient combustor dynamics are shown to approach convergence with limited increases in computational cost, while retaining substantial computational cost reduction compared to monolithic FRC simulations. Through PEC simulations with increasing fractions of the domain assigned to FRC, monolithic flamelet simulations are shown to over-predict flame stability during LBO. Finally, the extended PEC formulation is thus shown to overcome deficiencies of monolithic models by controlling modeling error for multiphase combustion modeling.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Relative permeability of gas and water flow in hydrate-bearing porous media: A micro-scale study by lattice Boltzmann simulation

The water-gas relative permeability is an important parameter to characterize multiphase flow in sediments. To study the water-gas relative permeability of hydrate-bearing porous media, multiphase flow simulations were carried out at the pore scale using the lattice Boltzmann method. In this work, the effects of hydrate saturation and hydrate-growth habits on the water-gas relative permeability, which is scaled by the relative permeability considering the hydrate only, were evaluated in a two-dimensional porous medium. Results show that the increase of hydrate saturation causes the decrease of water-gas effective permeability as expected. However, the effect of hydrate saturation on the water-gas relative permeability is different from that of hydrate saturation on the water-gas effective permeability. The water-gas relative permeability increases with the increase of hydrate saturation in the pore-filling case. The water-gas relative permeability decreases with the increase of hydrate saturation in the grain-coating case. The wettability of solid phase has a different effect on the relative permeability of wetting phase and nonwetting phase. The Jamin effect (phase blocking) was observed and may exist in the production of gas from natural gas hydrate reservoirs. This seriously affects the multiphase flow characteristics. The changes of microscale fluid distribution effect the changes of water-gas relative permeability. The relationship between the water-gas relative permeability and the characterization parameters of microscale fluid distribution was analyzed.

58 GEOSCIENCES↗
DOE OSTI2020

Deep learning interfacial momentum closures in coarse-mesh CFD two-phase flow simulation using validation data

Multiphase flow phenomena have been widely observed in the industrial applications while it remains a challenging yet unsolved problems. Three-dimensional computational fluid dynamics (CFD) approaches resolve the flow fields on a finer special and temporal scales which can complement the dedicated experimental study. However, closures have to be introduced to reflect the underlying physics in multiphase flow. Among them, the interfacial forces, including drag, lift, turbulent dispersion and wall lubrication forces, play in important role on the bubble’s distribution and migration in liquid-vapor two-phase flow. Development of those closures traditionally rely on the experimental data and analytical derivation with simplified assumptions which usually cannot deliver a universal solution across wide range of flow conditions. In this paper, a data-driven approach, named as Feature Similarity Measurement (FSM), is developed and applied to improve the simulation capability of two-phase flow with coarse-mesh CFD approach. Interfacial momentum transfer in adiabatic bubbly flow serves as the focus of the present study. Both a mature and a simplified set of interfacial closures are taken as the low fidelity data. Experimental data and fine mesh CFD simulations results are adopted as high-fidelity data. Qualitative and quantitative analysis are performed in this paper which reveals that FSM can substantially improve the prediction of coarse mesh CFD model regardless of the choice of interfacial closures and it provides scalability and consistency across discontinuous flow regimes. Furthermore, it demonstrates that data-driven method can aid the multiphase flow modeling by exploring the connections between local physical features and simulation errors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Leakoff assessment of nanoparticle-stabilized CO 2 foams for fracturing applications

The leakoff of multiphase systems through porous media is a complicated process. In this study, we have designed an experimental setup that is used to assess the leakoff of the liquid and gas phase under pressurized conditions. The novelty of this study is that while most previous studies utilized fluid/gas in the aqueous phase, nanoparticles are introduced in this study, which formed a solid/fluid/gas multiphase system to boost foam performance and reduce leakoff. In the parametric experimental analysis, the effects of foam quality, core permeability, surfactant concentration, and polymer concentration on the dynamic and static leakoff rates of liquid and gas are evaluated. It was found that core permeability affects the leakoff of foam the most with a leakoff coefficient of up to 1.37015 $ft/\sqrt{min}$ for gas and up to 0.1056 $ft/\sqrt{min}$ for liquid under the experiment settings herein. The leakoff rate of gas is generally several magnitudes higher than that of the liquid. When CO 2 gas is present in the foam, the leakoff coefficient falls in the range between 0 and 1.37015 $ft/\sqrt{min}$ for gas, and between 0.0005 and 0.1056 $ft/\sqrt{min}$ for liquid. Finally, the methodology and results of this study shed light on the mechanistic understanding of the leakoff properties of multiphase systems and could be used to assist the design of foam fracturing for reservoir stimulation.

03 NATURAL GAS↗
DOE OSTI2021

In-situ TEM observation of shear induced microstructure evolution in Cu-Nb alloy

Phase boundaries in multiphase alloys govern defect interaction and chemical intermixing across different phases during plastic deformation. Dynamic interaction of defects with phase boundaries in multiphase alloys, especially for immiscible alloys, has been topic of significant research interest in recent years. In this work, we describe a novel approach for carrying out in-situ TEM shear deformation to directly observe interfacial microstructural evolution of a Cu-Nb alloy. A unique double shear specimen geometry is microfabricated by a focused ion beam technique to apply shear deformation upon push loading inside the TEM. From the real-time observation, we discover that the phase boundary with a zigzag morphology effectively blocks stacking faults nucleated in a Cu grain from slipping into a Nb grain. Meanwhile, the Cu phase bears the most plastic deformation through slip or twinning mechanisms. This work sheds light on understanding the shear deformation and the behavior of phase boundaries in multiphase alloys during shear deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigation of post-injection strategies for diesel engine Catalyst Heating Operation using a vapor-liquid-equilibrium-based spray model

Most multidimensional engine simulations spend much time solving for non-equilibrium spray dynamics (atomization, collision, vaporization). However, their accuracy is limited by significant grid dependency, and the need for extensive calibration. This is critical for modeling cold-start diesel fuel post injections, which occur at low temperatures and pressures, far from typical model validation ranges. At the same time, resolving micron-scale spray phenomena would render full Eulerian multiphase calculations prohibitive. In this study, an improved phase equilibrium based approach was implemented and assessed for simulating diesel catalyst heating operation strategies. A phase equilibrium solver based on the model by Yue and Reitz [1] was implemented: a fully multiphase CFD solver is employed with an engineering-size engine grid, and fuel injection is modeled using the standard Lagrangian parcels approach. Mass and energy from the liquid parcels are released to the Eulerian multiphase mixture according to an equilibrium-based liquid jet model. An improved phase equilibrium solver was developed to handle large real-gas mixtures such as those from accurate chemical kinetics mechanisms. The liquid-jet model was improved such that momentum transfer to the Eulerian solver better reproduces the physical spray jet structure. Validation of liquid/vapor penetration predictions showed that the model yields accurate results with very limited tuning and low sensitivity to the few calibration constants. In-cylinder simulations of diesel catalyst heating operation strategies showed that capturing spray structure is paramount when short, transient injection pulses and low temperatures are present. Furthermore, the EP model provides improved predictions of post-injection spray structure and ignitability, while conventional spray modeling does not capture the increase of liquid penetration during the expansion stroke. Finally, the only important EP model calibration constant, Cliq, does not affect momentum transfer, but it changes the local charge cooling distribution through the local energy transfer, which makes it candidate to additional research. The results confirm that non-equilibrium spray processes do not need to be resolved in engineering simulations of high-pressure diesel sprays.

42 ENGINEERING↗
DOE OSTI2020

Development and validation of the cavitation-induced erosion risk assessment tool

This work presents the development of a cavitation-induced erosion risk assessment (CIERA) tool that links multiphase flow simulation predictions with the progress towards material erosion. To develop a robust erosion modeling tool, the cavitation and erosion predictions for pressurized diesel fuel flow within a channel geometry were validated over a range of Reynolds and cavitation number conditions in two different aluminum channel geometries, one featuring a rounded inlet corner and the other with a sharp inlet corner. The multiphase flow development within the channel was modeled using a compressible mixture model, where phase change was represented with the homogeneous relaxation model and the turbulent flow evolution was modeled using a dynamic structure approach for Large Eddy Simulations. To improve representation of the incubation period before material rupture over existing approaches, a physics-based metric was derived based on the cumulative energy absorbed by the solid material from repeated hydrodynamic impacts. When the average peak pressure was related to the incubation period, the incubation period and its sensitivity to changes in flow conditions were found to be overpredicted. In contrast, predictions from CIERA provided a more accurate means to qualitatively and quantitatively predict the influence of flow conditions on the incubation period before material erosion. When the predicted stored energy was related to the solid material properties to estimate the incubation period, multiphase flow simulations demonstrated accurate representation of the sensitivity of erosion severity to changes in flow conditions. The use of CIERA led to quantitative agreement of the predicted incubation period within 5% of the experimentally measured incubation period.

42 ENGINEERING↗
DOE OSTI2025

Three and Two Phase Rotating Field Inductive Couplers for Wireless Power Transfer with One Phase per Layer Windings

Multiphase inductive wireless charging coils have been proposed recently to improve coupler surface power density, reduce component stress and size, and provide near-constant power delivery to charge mobile electric systems. Several aspects for the fundamental characterization of multiphase coils are explored up to six phases including approximate mutual inductance with size and turn variation, induced voltage, and output power estimation. The relative component stress and size of passive components for resonant operation are compared between the multiphase variants. A combination of an experimentally validated 3D electromagnetic finite element analysis (FEA) and power electronic co-simulations are used to validate the estimated quantities approximated with a mixture of analytical equations and an artificial neural network model for mutual inductance. A novel three-phase transmitter, two-phase receiver coil pair is also proposed for electric vehicle charging to reduce the number of connections and compensation complexity on the vehicle-side with improved power output compared to a two-phase configuration.

Lewis, Donovin D. [University of Kentucky]↗
DOE OSTI2024

Probing Thermal Transport in Fluidized Bed Using Modulated Photothermal Radiometry

Abstract In concentrated solar power (CSP) applications, fluidized bed is a promising approach for high heat transfer coefficient (HTC) solar receivers and heat exchangers. However, the complexity of multiphase mixing has made it difficult to characterize and analyze the heat transfer mechanism. This paper presents an experimental study on simultaneously characterizing heat transfer in both the near-wall and the bulk regions of a fluidized bed using modulated photothermal radiometry (MPR). The MPR is a non-contact frequency-domain technique using an intensity-modulated laser as the heat source and surface infrared emission as thermometry. The thermal penetration depth of the laser heating is varied by controlling its modulation frequency, and thus the measurement can resolve the near-wall and the bulk thermal resistances. With the MPR technique, we measured fluidized silica sands with a mean size of 164 μm in a vertical channel of 6 mm depth. Our results show that the near-wall thermal resistance is substantially increased with increasing gas velocity, which partially offsets the benefit of higher HTC brought by stronger particle mixing during the fluidization. We also used the MPR to quantify the improvement in particle-wall heat transfer in an inclined channel. We found that an 8° inclination towards the heat exchanging side led to a lower near-wall thermal resistance and a higher HTC at high gas velocities. This work demonstrates that the MPR technique is a useful tool to quantify the important near-wall thermal resistance from a bulk particle bed, which not only advances our understanding of heat transfer in fluidized beds, but may also contribute to the design of fluidized bed heat exchangers with higher HTC.

14 SOLAR ENERGY↗
DOE OSTI2023

TReactMech v4.217

TReactMech couples geomechanical processes (poroelasticity, failure, and inelastic strain) with multiphase nonisothermal flow (derived from TOUGH2) and reactive geochemical transport. At its core is the reactive-transport code TOUGHREACT v4.13. TReactMech is an efficient hybrid parallel simulator, solving the geomechanics using finite elements and MPI/PetSc, the multiphase flow using integrated finite difference and MPI/PETSc, and the reactive chemistry using OpenMP. The advantages of TReactMech are in its multiphase flow capabilities (e.g., supercritical CO2, supercritical water, air) and parallel geomechanics including full 3-D stress tensor, shear and tensile failure, coupled to porosity and permeability changes. It is backwardly compatible with TOUGH2 and TOUGHREACT v4.13, allowing for easier transitions between the codes. TReactMech can be used to simulate many natural and engineered subsurface systems, including geothermal reservoirs, borehole heat exchangers, geologic carbon sequestration, geologic storage of nuclear waste, groundwater resources, weathering, sediment diagenesis, seafloor hydrothermal circulation, hydrofracturing in unconventional reservoirs, and injection/production-induced surface deformation.

Sonnenthal, Eric↗
DOE OSTI2022

Distinguishing Unique Earthquakes with Overlapping Signals in Oklahoma

Abstract During routine operations monitoring Oklahoma earthquakes, we found that certain earthquakes occurred closely both in space and time and had overlapping phases at the recording stations. Through further scrutiny and analysis, we determined that rather than being distinctly different earthquakes, some of the earthquakes exhibited multiphase arrivals and longer than expected coda due to unique ray paths that encounter impedance contrasts such as at the sedimentary rock-basement. Of course, some of these events truly were distinct events, which we term overlapping earthquakes, for which perceived coda duration overlaps and obscures the phase arrivals of the second event due to the source proximity in both time and space. We detail our classification scheme to separate the local earthquakes in Oklahoma as single, overlapping earthquakes, or those associated with multiphase arrivals. We forward model seismic wave propagation in a 2D crustal model and develop a methodology that utilizes waveform correlation to distinguish phases from overlapping earthquakes to those from crustal reverberations. Duration analysis shows a more elongated duration, qualitatively similar to the duration produced by overlapping earthquakes, at the sites where multiphase arrivals are observed.

Geochemistry & Geophysics↗
DOE OSTI2021

OpenSesame tutorial

OpenSesame is a program for generating tabular equations of state (EOS), with capabilities for multiphase EOS construction. In this tutorial, we provide an overview of how to run OpenSesame to construct a multiphase EOS. We discuss some general features of OpenSesame, followed by a description of sample input files required for multiphase EOS construction. We also discuss how to extract data from EOS tables in order to compare to experimental data, with an example using the OpenSesame GUI. Lastly, we provide a description of how to generate ASCII-formatted EOS tables most often used by hydro code users.

97 MATHEMATICS AND COMPUTING↗