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At least 1,729 records · Page 96

A Machine Learning-Genetic Algorithm (ML-GA) Approach for Rapid Optimization Using High-Performance Computing

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC). The outputs (targets) of interest from these simulations included five metrics related to engine performance and emissions. Over 2000 samples generated from CFD were then used to train an ML model that could predict these five targets based on the nine input features. A robust super learner approach was employed to build the ML model, where results from a collection of different ML algorithms were pooled together. Thereafter, a stochastic global optimization genetic algorithm (GA) was used, with the ML model as the objective function, to optimize the input parameters based on a merit function so as to minimize fuel consumption while satisfying CO and NOx emissions constraints. The optimized configuration from ML-GA was found to be very close to that obtained from a sequentially performed CFD-GA approach, where a CFD simulation served as the objective function. In addition, the overall turnaround time was (at least) 75% lower with the ML-GA approach, as the training data was generated from concurrent CFD simulations and employing the ML model as the objective function significantly accelerated the GA optimization. Finally, this study demonstrates the potential of ML-GA and high-performance computing (HPC) to reduce the number of CFD simulations to be performed for optimization problems without loss in accuracy, thereby providing significant cost savings compared to traditional approaches.

97 MATHEMATICS AND COMPUTING↗

Dual FIB-SEM 3D imaging and lattice boltzmann modeling of porosimetry and multiphase flow in chalk.

Mercury intrusion porosimetry (MIP) is an often-applied technique for determining pore throat distributions and seal analysis of fine-grained rocks. Due to closure effects, potential pore collapse, and complex pore network topologies, MIP data interpretation can be ambiguous, and often biased toward smaller pores in the distribution. We apply 3D imaging techniques and lattice-Boltzmann modeling in interpreting MIP data for samples of the Cretaceous Selma Group Chalk. In the Mississippi Interior Salt Basin, the Selma Chalk is the apparent seal for oil and gas fields in the underlying Eutaw Fm., and, where unfractured, the Selma Chalk is one of the regional-scale seals identified by the Southeast Regional Carbon Sequestration Partnership for CO2 injection sites. Dual focused ion - scanning electron beam and laser scanning confocal microscopy methods are used for 3D imaging of nanometer-to-micron scale microcrack and pore distributions in the Selma Chalk. A combination of image analysis software is used to obtain geometric pore body and throat distributions and other topological properties, which are compared to MIP results. 3D data sets of pore-microfracture networks are used in Lattice Boltzmann simulations of drainage (wetting fluid displaced by non-wetting fluid via the Shan-Chen algorithm), which in turn are used to model MIP procedures. Results are used in interpreting MIP results, understanding microfracture-matrix interaction during multiphase flow, and seal analysis for underground CO2 storage.

03 NATURAL GAS↗

Modeling variability in porescale multiphase flow experiments

Microfluidic devices and porescale numerical models are commonly used to study multiphase flow in biological, geological, and engineered porous materials. In this work, we perform a set of drainage and imbibition experiments in six identical microfluidic cells to study the reproducibility of multiphase flow experiments. We observe significant variations in the experimental results, which are smaller during the drainage stage and larger during the imbibition stage. We demonstrate that these variations are due to sub-porescale geometry differences in microcells (because of manufacturing defects) and variations in the boundary condition (i.e.,fluctuations in the injection rate inherent to syringe pumps). Computational simulations are conducted using commercial software STAR-CCM+, both with constant and randomly varying injection rate. Stochastic simulations are able to capture variability in the experiments associated with the varying pump injection rate.

54 ENVIRONMENTAL SCIENCES↗

Geomechanical risk assessment for subsurface fluid disposal operations

Numerical models are commonly used to estimate the state of stress in the subsurface for various engineering applications. These estimates are subject to considerable uncertainty, and yet, the estimates are almost always deterministic, yielding no information about the certainty of the prediction. For some applications, unquantified uncertainties in stress are often acceptable, because the risks related to geomechanics may be of low relative importance compared to other risks (e.g. recoverable resource volume), for which uncertainties are often quantified. Furthermore, many geomechanics-related risks in the petroleum industry are relatively short lived (e.g. well bore stability), and decrease in importance with time. In contrast, for waste water injection or geologic carbon sequestration (GCS), geomechanics-related risks (e.g. seal integrity, induced seismicity) are on par with resource-related risks and are of long-term concern, with the risk generally increasing in importance for a significant period of time. For these reasons, the deterministic stress estimation and risk analysis approaches generally applied in the petroleum industry are insufficient for GCS applications. This paper describes a Bayesian approach to geomechanical uncertainty quantification and risk assessment. The method is demonstrated using data from an active enhanced oil recover/geologic carbon sequestration field as a case study

Burghardt, Jeffrey A.↗

A Computational Investigation of Engine Heat Transfer with Ducted Fuel Injection

Ducted fuel injection (DFI) is an innovative method that curtails or prevents soot formation in direct-injection compression-ignition engines. DFI uses a simple duct, positioned outside each injector hole, facilitating the fuel/charge gas mixing before ignition. This reduces the equivalence ratio below two, in the autoignition zone, which in turn decreases soot formation. But this method also reduces fuel-conversion efficiency. This study investigates the effects of DFI on in-cylinder heat transfer. Experiments with conventional diesel combustion (CDC) and DFI were performed at four different dilution levels. Computational fluid dynamics (CFD) simulations were carried out at conditions matching those of the experiments, and the simulations were validated by the experimental data. The CFD simulations enabled to examine of in-cylinder heat release and temperature distributions. The heat transfer to the piston, head, and cylinder was investigated. The results show that DFI increased the heat transfer to the walls compared to CDC under the same conditions. This could help explain why DFI has been observed to reduce fuel-conversion efficiency by approximately 1% (absolute) relative to CDC under certain conditions. The efficiency loss typically decreases with dilution, such that DFI can improve fuel-conversion efficiencies relative to CDC at higher dilution levels.

Şener, Ramazan↗

Numerical methods for inviscid/viscous flows

A study of numerical schemes for solving viscous fluid flow problems with sizable regions of predominantly inviscid flow is presented. Difficulties associated with the familiar central difference approach for such problems were analyzed and alternative finite difference approaches employing windward concepts are presented. In addition, difference relations based on exponential operators were developed. All such schemes were demonstrated and evaluated through application to the case of Falkner Skan flow with blowing - a problem in which a sizable region of predominantly inviscid flow develops near the injection surface that traditionally causes numerical difficulty.

El-Mistikawy, T. M.↗

National Combustion Code Validated Against Lean Direct Injection Flow Field Data

Most combustion processes have, in some way or another, a recirculating flow field. This recirculation stabilizes the reaction zone, or flame, but an unnecessarily large recirculation zone can result in high nitrogen oxide (NOx) values for combustion systems. The size of this recirculation zone is crucial to the performance of state-of-the-art, low-emissions hardware. If this is a large-scale combustion process, the flow field will probably be turbulent and, therefore, three-dimensional. This research dealt primarily with flow fields resulting from lean direct injection (LDI) concepts, as described in Research & Technology 2001. LDI is a concept that depends heavily on the design of the swirler. The LDI concept has the potential to reduce NOx values from 50 to 70 percent of current values, with good flame stability characteristics. It is cost effective and (hopefully) beneficial to do most of the design work for an LDI swirler using computer-aided design (CAD) and computer-aided engineering (CAE) tools. Computational fluid dynamics (CFD) codes are CAE tools that can calculate three-dimensional flows in complex geometries. However, CFD codes are only beginning to correctly calculate the flow fields for complex devices, and the related combustion models usually remove a large portion of the flow physics.

Iannetti, Anthony C.↗

How does the connectivity of open-framework conglomerates within multi-scale hierarchical fluvial architecture affect oil-sweep efficiency in waterflooding?

Understanding multi-phase fluid flow and transport processes within aquifers, candidate reservoirs for CO 2 sequestration, and petroleum reservoirs requires understanding a diverse set of geologic properties of the aquifer or reservoir, over a wide range of spatial and temporal scales. We focus on multiphase flow dynamics with wetting (e.g., water) and non-wetting (e.g., gas or oil) fluids, with one invading another. This problem is of general interest in a number of fields and is illustrated here by considering the sweep efficiency of oil during a waterflood. Using a relatively fine-resolution grid throughout a relatively large domain in these simulations and probing the results with advanced scientific visualization tools (Reservoir Visualization Analysis [RVA]/ ParaView software) promote a better understanding of how smaller-scale features affect the aggregate behavior at larger scales. We studied the effects on oil-sweep efficiency of the proportion, hierarchical organization, and connectivity of high-permeability open-framework conglomerate (OFC) cross-sets within the multi-scale stratal architecture found in fluvial deposits. We further analyzed oil production rate, water breakthrough time, and spatial and temporal distribution of residual oil saturation. As expected, the effective permeability of the reservoir exhibits large-scale anisotropy created by the organization of OFC cross-sets within unit bars, and the organization of unit bars within compound- bars. As a result, oil-sweep efficiency critically depends on the direction of the pressure gradient. However, contrary to expectations, the total amount of trapped oil due to the effect of capillary trapping does not depend on the magnitude of the pressure gradient within the examined range. Hence the pressure difference between production and injection wells does not affect sweep efficiency; although the spatial distribution of oil remaining in the reservoir depends on this value. Whether or not clusters of connected OFC span the domain affects only the absolute rate of oil production—not sweep efficiency.

58 GEOSCIENCES↗

THE ORIGIN AND PROPAGATION OF VARIABILITY IN THE OUTFLOWS OF LONG-DURATION GAMMA-RAY BURSTS

We present the results of hydrodynamical simulations of gamma-ray burst (GRB) jets propagating through their stellar progenitor material and subsequently through the surrounding circumstellar medium. We consider both jets that are injected with constant properties in the center of the star and jets injected with a variable luminosity. We show that the variability properties of the jet outside the star are a combination of the variability injected at the base of the jet and the variability caused by the jet propagation through the star. Comparing power spectra for the two cases shows that the variability injected by the engine is preserved even if the jet is heavily shocked inside the star. Such shocking produces additional variability at long timescales, of order several seconds. Within the limited number of progenitors and jets investigated, our findings suggest that the broad pulses of several seconds duration typically observed in GRBs are due to the interaction of the jet with the progenitor, while the short-timescale variability, characterized by fluctuations on timescales of milliseconds, has to be injected at the base of the jet. Studying the properties of the fast variability in GRBs may therefore provide clues to the nature of the inner engine and the mechanisms of energy extraction from it.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluation of the Performance and Exhaust Emissions of a 4 Cylinder CI Engine Operating With Dimethyl Ether (DME) and Propane Blends

In response to stringent emissions regulations and the need for higher efficiency engines, the utilization of DME and propane fuel blends in compression ignition (CI) engines has gained interest in the automotive industry. In this study, a range of DME-propane blends are explored in a CI combustion strategy at high injection pressures. A GT-Power model of a 2.2 L Hyundai CI engine was developed to facilitate evaluation of the impacts of variations of DME and propane blends at a light and medium engine speed-torque-load operating condition; specifically at 1500 rpm, 50 Nm and 2.84 bar brake mean effective pressure (BMEP); and 2000 rpm, 150 Nm, 8.53 bar BMEP speed-torque-load combination. Here, the GT-Power model was validated using Computational Fluid Dynamics (CFD) simulations. The results indicate that high diesel-like efficiencies can be achieved with a 100% DME mass substitution and up to 50% propane-DME blends could be implemented without a significant penalty on engine performance indicators. Significant brake specific nitrogen oxides (BSNOx) reductions were also observed along with reductions in carbon dioxide (CO2) and soot when leveraging these fuel blends.

computational fluid dynamics↗

Using 3D Measurements from MRI to Improve VVUQ

Magnetic resonance velocimetry (MRV) is a diagnostic that can measure 3D, three-component turbulent velocity fields in arbitrarily complex flow configurations. The approach uses magnetic resonance imaging (MRI), which is a system commonly available in radiology departments or medical research centers. MRV acquires signal from hydrogen protons in water channel flows. Despite the obvious utility of the measurements for investigating a variety of flows, comparisons with computational fluid dynamic (CFD) simulations largely retain traditional metrics, comparing velocity profiles and planes at discrete regions within the flow rather than using the 3D nature of the measured field. In this effort, MRV was conducted in a simple water channel with six spanwise-centered periodic obstacles roughly shaped as cubes. At a fully turbulent Reynolds number of 15,000, the channel includes two flows: a main streamwise flow and, in the wake of the second obstacle, an injected flow oriented perpendicular to the streamwise flow. The flow geometry includes partial obstacles on the side walls and is inherently 3D because of the interaction of the two streams and the wake features, making the flow challenging to completely measure with traditional optical techniques. Aside from line profiles and planar comparisons, two 3D metrics are used to compare the data with a steady Reynolds-averaged Navier–Stokes (RANS) simulation result. A brief discussion about the comparison is provided, including comments about uncertainty.

Benson, Mike [ORNL] (ORCID:000000023210116X)↗

Electrochemical Residence Time Distribution as a Diagnostic Tool for Redox Flow Batteries

The fluid dynamic and electrochemical performance of redox flow batteries (RFBs) stems from the relationship between the flow field and the porous electrode, whose interplay determines how active species move and react during device operation. While characterization techniques, such as residence time distribution, offer insights into species mobility within a reactive volume for a traditional chemical reactor, electrochemical reactors also enable simultaneous measurement of the redox reactions, unlocking another dimension of analysis. Herein, we demonstrate how potentiodynamic measurements, using injections of electrolyte examined through moment analysis, can provide electrode-specific performance scaling relationships across a matrix of carbon paper and cloth electrodes with flow through and interdigitated flow fields. We further combine experimental campaigns with multiphysics simulations to demonstrate how electrode surface area can be estimated with this technique, which we then validate with activated and unactivated commercial carbon cloth electrodes. These studies reveal the multiscale observations that potentiodynamic measurements afford, augmenting existing electrochemical techniques for holistic electrochemical reactor diagnostics.

Electrochemistry↗

Numerical Modeling of CO 2 and Brine Leakage through Open Fracture in a Fault Zone: Open Channel Flow or Darcy Flow

Understanding fluids migration and leakage risk along the fault zone is necessary to guarantee the safety of CO 2 geological storage. The validity of Darcy’s law gets challenged in dealing with the flow in open fractures since the occurring of turbulence flow. In this study, we develop a 2D model with usage of T2Well, an integrated wellbore-reservoir simulator, to investigate the leakage problem along open fractures which are embedded in a fault zone from the deep injection reservoir to shallow aquifers. The results record a positive feedback of gas expansion and pressure response in fracture, which causes a quick downward propagation of highly gas saturated zone from the top of fracture and an easy gas breakthrough in the shallower aquifers. The decreasing of aperture size of fracture significantly enhances the leakage rates in fracture, but with less influences as aperture increases. In comparison, the Equivalent Porous Media models show a good approximation with the momentum model of large apertures but poor for the small one. Nevertheless, the differences are small in terms of final CO 2 distribution among various aquifers, suggesting that Darcy’s law may be still “effective” in solving flow problem along fractures in a constant injection system at a large time scale.

58 GEOSCIENCES↗

Multidimensional mechanistic modeling of interfacial heat and mass transfer

A combined theoretical and computational study in modeling multidimensional, diabatic vapor/liquid flows is presented. Models have been developed governing kinematic aspects of multiphase flow as well as interfacial mass and heat transfer for flows of condensable gas (vapor) and liquids. The modeling formulation is based on the Reynolds averaged Navier-Stokes (RANS) type multi-field approach which utilizes a complete set of conservation equations for each fluid component 1. The modeled interfacial interactions include energy, mass, and momentum transfer. Emphasis in the model development work has been placed on the mechanisms governing coupled interfacial heat and mass transfer between the liquid and vapor fields (condensation and/or boiling). A method for tracking changes in bubble size is presented and tested. Locally based models of multidimensional effects have been analyzed, including distributions of fluid temperatures and volume fractions. The overall model accounts for both kinematic and thermodynamic nonequilibrium between the component fluids including superheated vapor. The model has been implemented in the NPHASE-CMFD computer code. Results from the kinematic model are compared to experimental data and good agreement is demonstrated. The heat and mass transfer model is parametrically tested to show the multidimensional effects on the rate of heat and mass transfer. These effects are explained in terms of local characteristics of the two-phase flow. The model is applied to a scenario of saturated vapor injected into a subcooled flow through a heated, porous wall. This provides a reasonable approximation to subcooled boiling. The results are found to be dependent on the partitioning of the wall heat flux between direct liquid heating and vapor generation. However, the observed dependencies are explained and the modeling is considered consistent. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Effect of wettability alteration on long-term behavior of fluids in subsurface

Wettability is an important factor affecting fluid behavior in the subsurface, including oil, gas, and supercritical CO$_2$ in deep geological reservoirs. For example, CO$_2$ is generally assumed to behave as a non-wetting fluid, which favors safe storage. However, because of chemical heterogeneity of the reservoirs, mixed wettability conditions can exist. Furthermore, recent experiments suggest that with time, the wettability of super-critical CO$_2$ may change from non-wetting to partially-wetting due to changes in electrostatic interactions. These changes are caused by chemical reactions between dissolved CO$_2$ and its environment. To date, the effect of wettability alteration and mixed wettability on the long term fate of injected CO$_2$ has not well been studied. Here, we use the multiphase Pairwise Force Smoothed Particle Hydrodynamics (PF-SPH) Model to study complex pore-scale processes involved in geological CO$_2$ sequestration, including the effect of spatial and temporal wettability variations on long-term distribution of CO$_2$ in porous media. Results reveal that in the absence of dissolution of supercritical CO$_2$ and precipitation of carbonate minerals (mineral trapping), the amount of trapped supercritical CO$_2$ significantly decreases as the wettability of the porous media changes from brine-wet to partial-wet or CO$_2$-wet.

CO2 sequestration↗

Modeling of coupled thermodynamic and geomechanical performance of underground compressed air energy storage in lined rock caverns

We applied coupled nonisothermal, multiphase fluid flow and geomechanical numerical modeling to study the coupled thermodynamic and geomechanical performance of underground compressed air energy storage (CAES) in concrete-lined rock caverns. The paper focuses on CAES in lined caverns at relatively shallow depth (e.g., 100 m depth) in which a typical CAES operational pressure of 5 to 8 MPa is significantly higher than both ambient fluid pressure and in situ stress. We simulated a storage operation that included cyclic compression and decompression of air in the cavern, and investigated how pressure, temperature and stress evolve over several months of operation. We analyzed two different lining options, both with a 50 cm thick low permeability concrete lining, but in one case with an internal synthetic seal such as steel or rubber. For our simulated CAES system, the thermodynamic analysis showed that 96.7% of the energy injected during compression could be recovered during subsequent decompression, while 3.3% of the energy was lost by heat conduction to the surrounding media. Our geomechanical analysis showed that tensile effective stresses as high as 8 MPa could develop in the lining as a result of the air pressure exerted on the inner surface of the lining, whereas thermal stresses were relatively smaller and compressive. With the option of an internal synthetic seal, the maximum effective tensile stress was reduced from 8 to 5 MPa, but was still in substantial tension. We performed one simulation in which the tensile tangential stresses resulted in radial cracks and air leakage though the lining. This air leakage, however, was minor (about 0.16% of the air mass loss from one daily compression) in terms of CAES operational efficiency, and did not significantly impact the overall energy balance of the system. However, despite being minor in terms of energy balance, the air leakage resulted in a distinct pressure increase in the surrounding rock that could be quickly detected using pressure monitoring outside the concrete lining.

25 ENERGY STORAGE↗

Predictions of the near edge transport shortfall in DIII-D L-mode plasmas using the trapped gyro-Landau-fluid model

Previous studies of DIII-D L-mode plasmas have shown that a transport shortfall exists in that our current models of turbulent transport can significantly underestimate the energy transport in the near edge region. In this paper, the Trapped Gyro-Landau-Fluid (TGLF) drift wave transport model is used to simulate the near edge transport in a DIII-D L-mode experiment designed to explore the impact of varying the safety factor on the shortfall. We find that the shortfall systematically increases with increasing safety factor and is more pronounced for the electrons than for the ions. Within the shortfall dataset, a single high current case has been found where no transport shortfall is predicted. Reduced neutral beam injection power has been identified as the key parameter separating this discharge from other discharges exhibiting a shortfall. Further analysis shows that the energy transport in the L-mode near edge region is not stiff according to TGLF. Unlike the H-mode core region, the predicted temperature profiles are relatively more responsive to changes in auxiliary heating power. In testing the fidelity of TGLF for the near edge region, we find that a recalibration of the collision model is warranted. A recalibration improves agreement between TGLF and nonlinear gyrokinetic simulations performed using the GYRO code with electron-ion collisions. The recalibration only slightly impacts the predicted shortfall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling the spectral modification of lower hybrid wave in the presence of drift-wave type density fluctuation in the scrape-off-layer of the EAST tokamak

In this work, the spectrum change of the lower hybrid (LH) waves caused by a low-frequency density fluctuation in the scrape-off-layer is studied by applying the wave scattering model developed by Bonoli and Ott [Phys. Fluids 25, 359 (1982)] via a Monte Carlo method. A ray-tracing model specific to this purpose is developed to evaluate the probability distribution of both the poloidal refractive index (N θ ) and the parallel refractive index (N ∥ ) of the LH wave at the last closed flux surface (LCFS).The probability distributions of N ∥ and N θ at the LCFS are studied using the EAST parameters as a function of wave frequency, the initial N ∥ , and the polar injection position, which may influence the lower hybrid current drive efficiency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗