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At least 487 records · Page 27

Numerical simulation projects in micromagnetics with Jupyter

We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to solve problems computationally. The simulation software is controlled through the Python code in Jupyter notebooks. Our experience is that the self-paced problem-solving nature of the project work can facilitate a better in-depth exploration of the course contents. We discuss which aspects of the Ubermag and the project Jupyter ecosystem have been beneficial for the students' learning experience and which could be transferred to similar teaching activities in other subject areas.

97 MATHEMATICS AND COMPUTING↗

Numerical simulation of narrow bipolar electromagnetic pulses generated by thunderstorm discharges

Using the concept of avalanche relativistic runaway electrons (REs), we perform numerical simulations of compact intracloud discharge (CID) as a generator of powerful natural electromagnetic pulses (EMPs) in the HF-VHF range, called narrow bipolar pulses (NBPs). For several values of the field overvoltage and altitude at which the discharge develops, the numbers of seed electrons initiating the avalanche are evaluated, with which the calculated EMP characteristics are consistent with the measured NBP parameters. We note shortcomings in the hypothesis assuming participation of cosmic ray air showers in avalanche initiation. The discharge capable of generating NBPs produces REs in numbers close to those in the source of terrestrial {gamma}-ray flashes (TGFs), which can be an argument in favor of a unified NBP and TGF source.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical Simulations of Geologic Storage Reservoir Management to Support Risk Mitigation Evaluation

This report provides a detailed description of a set of numerical simulations that represent reservoir behavior over time in response to different operational decision scenarios for detection of potential leakage and reduction or avoidance of leakage impact at a hypothetical geological carbon storage (GCS) site. These simulations serve as the basis for a series of GCS leakage risk forecasts that are to be developed using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM), and a demonstration of a simple decision support workflow for evaluation of mitigation strategies based on results of those system model forecasts. This risk assessment and decision support study is forthcoming. Four injection scenarios were considered: a constant rate carbon dioxide (CO 2 ) injection case (base case), a case with CO 2 injection rate adjustment, a case with early termination of injection operations, and a case with brine extraction. CO 2 injection operations were controlled to ensure that the pressure transient remains below the defined manageable reservoir fracture pressure, with consideration shown to hypothetical locations within the modeled spatial domain where the overburden was weaker and lower transient pressure increases were allowable. Additionally, a brine extraction alternative was considered as a reservoir management and risk mitigation option to reduce reservoir pressure, steer the plume away from any hypothetical geohazard such as fault as needed, and enhance storage capacity. Such operational actions contribute to risk management overtime. This study explores the potential utility of reservoir management for risk reduction at GCS sites. This study shows that the injection design may modify the time to CO 2 breakthrough at a legacy well; in particular, these results show that brine extraction can add value for mitigating risk both by delaying leakage and reducing pressure build-up. For the scenario considered, both pressure plots and pressure distributions demonstrate that pressure build-up was decreased by 3% with brine extraction. Additionally, extraction of brine afforded enhancement of CO 2 storage capacity by 5% compared to the base case. These findings suggest that brine extraction has substantial potential to steer the risk-related reservoir effects away from known geohazards (e.g., faults and legacy wells) by conducting pressure transient effects and CO 2 plume movement toward the production well. Injection rate adjustment scenarios considered in this study show potential value for managing both reservoir pressure transients and CO 2 plume behavior. Operational actions for reducing injection and/or early termination of injection (as compared to the base case), however, require careful design; tailoring both the extent and timing of injection rate adjustment over the injection and post-injection operational period must be thoroughly planned to balance maximizing storage and minimizing subsurface environmental risk. The study also gives preliminary consideration to the effectiveness that monitoring strategy may play in providing useful information to inform reservoir management decisions for risk reduction. Two types of monitoring were considered: 1) pressure build-up or pressure transient; and 2) potential leakage detection from a CO 2 mass or plume. Four hypothetical legacy wells, two plugged and two abandoned, were placed in the model domain. Monitoring along these wells was measured over time in individual stacked reservoir formations and shale formations to support risk mitigation decisions, especially operational decisions that assisted in risk reduction. These simulations will serve as the basis for a series of GCS leakage risk forecasts that are to be developed using NRAP’s Open-IAM, and demonstration of a simple decision support workflow for comparative assessment of mitigation alternatives based on results of those system model forecasts. This risk assessment and decision support study is forthcoming.

54 ENVIRONMENTAL SCIENCES↗

Direct Numerical Simulation of Acoustic Waves Interacting with a Shock Wave in a Quasi-1D Convergent-Divergent Nozzle Using an Unstructured Finite Volume Algorithm

Numerical simulation of a very small amplitude acoustic wave interacting with a shock wave in a quasi-1D convergent-divergent nozzle is performed using an unstructured finite volume algorithm with a piece-wise linear, least square reconstruction, Roe flux difference splitting, and second-order MacCormack time marching. First, the spatial accuracy of the algorithm is evaluated for steady flows with and without the normal shock by running the simulation with a sequence of successively finer meshes. Then the accuracy of the Roe flux difference splitting near the sonic transition point is examined for different reconstruction schemes. Finally, the unsteady numerical solutions with the acoustic perturbation are presented and compared with linear theory results.

Bui, Trong T.↗

Direct numerical simulation of transitional and turbulent flow over a heated flat plate using finite-difference schemes

This report deals with the direct numerical simulation of transitional and turbulent flow at low Mach numbers using high-order-accurate finite-difference techniques. A computation of transition to turbulence of the spatially-evolving boundary layer on a heated flat plate in the presence of relatively high freestream turbulence was performed. The geometry and flow conditions were chosen to match earlier experiments. The development of the momentum and thermal boundary layers was documented. Velocity and temperature profiles, as well as distributions of skin friction, surface heat transfer rate, Reynolds shear stress, and turbulent heat flux, were shown to compare well with experiment. The results indicate that the essential features of the transition process have been captured. The numerical method used here can be applied to complex geometries in a straightforward manner.

Madavan, Nateri K.↗

Pore-Scale and Multiscale Numerical Simulation of Flow and Transport in a Laboratory-Scale Column

Pore-scale models are useful for studying relationships between fundamental processes and phenomena at larger (i.e., Darcy) scales. However, the size of domains that can be simulated with explicit pore-scale resolution is limited by computational and observational constraints. Direct numerical simulation of pore-scale flow and transport is typically performed on millimeter-scale volumes at which X-ray computed tomography (XCT), often used to characterize pore geometry, can achieve micrometer resolution. In contrast, the scale at which a continuum approximation of a porous medium is valid is usually larger, on the order of centimeters to decimeters. Furthermore, laboratory experiments that measure continuum properties are typically performed on decimeter-scale columns. At this scale, XCT resolution is coarse (tens to hundreds of micrometers) and prohibits characterization of small pores and grains. We performed simulations of pore-scale processes over a decimeter-scale volume of natural porous media with a wide range of grain sizes, and compared to results of column experiments using the same sample. Simulations were conducted using high-performance codes executed on a supercomputer. Two approaches to XCT image segmentation were evaluated, a binary (pores and solids) segmentation and a ternary segmentation that resolved a third category (porous solids with pores smaller than the imaged resolution). We used a mixed Stokes-Darcy simulation method to simulate the combination of Stokes flow in large open pores and Darcy-like flow in porous solid regions. Simulations based on the ternary segmentation provided results that were consistent with experimental observations, demonstrating our ability to successfully model pore-scale flow over a column-scale domain.

CFD↗

Direct numerical simulations of a reacting turbulent mixing layer by a pseudospectral-spectral element method

An account is given of the implementation of the spectral-element technique for simulating a chemically reacting, spatially developing turbulent mixing layer. Attention is given to experimental and numerical studies that have investigated the development, evolution, and mixing characteristics of shear flows. A mathematical formulation is presented of the physical configuration of the spatially developing reacting mixing layer, in conjunction with a detailed representation of the spectral-element method's application to the numerical simulation of mixing layers. Results from 2D and 3D calculations of chemically reacting mixing layers are given.

Mcmurtry, Patrick A.↗

Less can be more: Insights on the role of electrode microstructure in redox flow batteries from two-dimensional direct numerical simulations

Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhancing the performance of electrochemical devices, such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Here, using a parallel computational framework, direct numerical simulations are carried out on idealized porous electrode microstructures for RFBs. Strategies to improve an electrode design starting from a regular lattice are explored. By introducing vacancies in the ordered arrangement, it is possible to achieve higher voltage efficiency at a given current density, thanks to improved mixing of reactive species, despite reducing the total reactive surface. Careful engineering of the location of vacancies, resulting in a density gradient, outperforms disordered configurations. Our simulation framework is a new tool to explore transport phenomena in RFBs, and our findings suggest new ways to design performant electrodes.

25 ENERGY STORAGE↗

The application of the mesh-free method in the numerical simulations of the higher-order continuum structures

This paper attempts to study the application of mesh-free method in the numerical simulations of the higher-order continuum structures. A high-order bending beam considers the effect of the third-order derivative of deflections, and can be viewed as a one-dimensional higher-order continuum structure. The moving least-squares method is used to construct the shape function with the high-order continuum property, the curvature and the third-order derivative of deflections are directly interpolated with nodal variables and the second- and third-order derivative of the shape function, and the mesh-free computational scheme is establish for beams. The coupled stress theory is introduced to describe the special constitutive response of the layered rock mass in which the bending effect of thin layer is considered. The strain and the curvature are directly interpolated with the nodal variables, and the mesh-free method is established for the layered rock mass. The good computational efficiency is achieved based on the developed mesh-free method, and some key issues are discussed.

97 MATHEMATICS AND COMPUTING↗

Numerical simulation of diffusion-controlled droplet growth Dynamical correlation effects

Diffusion-controlled coarsening (Ostwald ripening) of precipitated solutions is studied by numerical simulation. An algorithm is devised which exploits the screening of solute concentration fields, thereby removing the restriction to small systems of previous work. Simulation of the coarsening of 5000 droplets at 10-percent volume fraction reveals long-ranged dynamical correlations which broaden the droplet size-distribution function and increase the coarsening-rate coefficient.

Beenakker, C. W. J.↗

Direct numerical simulations of leading-edge receptivity for freestream sound

The objective of this paper is to review our efforts in spatial direct numerical simulations for modeling leading-edge receptivity to freestream sound and vorticity. These results begin to provide the link between the freestream and the initial boundary-layer response and can provide the upstream conditions for further simulations marching through the transition process toward turbulence.

Fuciarelli, David A.↗

Numerical Simulations of Homogeneous Turbulence Using Lagrangian-Averaged Navier-Stokes Equations

The Lagrangian-averaged Navier-Stokes (LANS) equations are numerically evaluated as a turbulence closure. They are derived from a novel Lagrangian averaging procedure on the space of all volume-preserving maps and can be viewed as a numerical algorithm which removes the energy content from the small scales (smaller than some a priori fixed spatial scale alpha) using a dispersive rather than dissipative mechanism, thus maintaining the crucial features of the large scale flow. We examine the modeling capabilities of the LANS equations for decaying homogeneous turbulence, ascertain their ability to track the energy spectrum of fully resolved direct numerical simulations (DNS), compare the relative energy decay rates, and compare LANS with well-accepted large eddy simulation (LES) models.

Mohseni, Kamran↗

Numerical Simulations of Two-Phase Reacting Flow in a Single-Element Lean Direct Injection (LDI) Combustor Using NCC

A series of numerical simulations of Jet-A spray reacting flow in a single-element lean direct injection (LDI) combustor have been conducted by using the National Combustion Code (NCC). The simulations have been carried out using the time filtered Navier-Stokes (TFNS) approach ranging from the steady Reynolds-averaged Navier-Stokes (RANS), unsteady RANS (URANS), to the dynamic flow structure simulation (DFS). The sub-grid model employed for turbulent mixing and combustion includes the well-mixed model, the linear eddy mixing (LEM) model, and the filtered mass density function (FDF/PDF) model. The starting condition of the injected liquid spray is specified via empirical droplet size correlation, and a five-species single-step global reduced mechanism is employed for fuel chemistry. All the calculations use the same grid whose resolution is of the RANS type. Comparisons of results from various models are presented.

Liu, Nan-Suey↗

Numerical simulation of controlled flow tunnel for V/STOL testing

A 'smart' wind tunnel concept for V/STOL transition regime studies is presented and performance is projected with numerical simulations. The wind tunnel would provide a flow that faithfully represents free air flow and thereby permits accurate lift calculations for V/STOL aircraft. The design concept is based on free-air tunnels used for planar wings. Modifications are necessary to account for the highly deflected, vortical wake produced in low-speed take-off and landing situations. A three-step numerical procedure covering the potential flow of a high lift system in free-air, controlled flow data with a model in a wind tunnel and addition of the wall conditions to the simulation as a feedback loop to correct the closed-tunnel is described. The initial simulation is for three-dimensional full span jet flapped wings, and is derived from extended two-dimensional calculations. The results indicate that only partial control of the tunnel flow is sufficient to serve as a valid environment for V/STOl studies.

Joppa, R. G.↗

Turbulent nonpremixed cool flames: Experimental measurements, Direct Numerical Simulation, and manifold-based combustion modeling

Turbulence, low-temperature chemistry, and their interactions in the form of turbulent cool flames are critical to understanding and improving advanced engines. Design of such engines requires tractable simulations which in turn necessitate turbulent combustion models that can account for cool flames. While manifold-based turbulent combustion models are an attractive option for hot flames, their applicability to cool flames is not yet fully understood. This is partially due to the lack of turbulent cool flame experiments, which has made model validation difficult. This work addresses these points with a combined experimental and computational investigation of turbulent nonpremixed dimethyl ether cool flames. First, a Co-flow Axisymmetric Reactor-Assisted Turbulent (CARAT) burner is developed and tested. Turbulent cool flames are studied using the formaldehyde planar laser-induced fluorescence (PLIF), acetone PLIF, and planar Rayleigh scattering techniques. The acetone PLIF signals are converted into mixture fraction values, and measurements of time-averaged temperature are derived from the Rayleigh scattering signals by taking advantage of the similarities between cool flames and unburned mixtures. Second, a Direct Numerical Simulation (DNS) of the CARAT burner is conducted. The flame is shown to be sensitive to thermal boundary conditions such that the stabilization method is dependent on a 10 K change in inlet temperature. Comparisons of first- and second-order statistics of temperature, mixture fraction, and formaldehyde between the DNS and experiment show good agreement. The validity of manifold-based turbulent combustion models in turbulent cool flames is then explored by first studying the effective Lewis numbers in the flame using a local differential diffusion parameter analysis. Turbulent cool flames are shown to have effective unity Lewis number transport even at a much lower Reynolds number than typically required for hot flames. Good agreement is shown for temperature and formaldehyde between DNS conditional means and one-dimensional nonpremixed flame solutions. Additionally, the motion of the cool flame in mixture fraction space is shown to be well described by one-dimensional nonpremixed flame solutions. These points indicate that the fundamental physics of turbulent cool flames are analogous to turbulent hot flames, implying that the same reduced-order manifold-based modeling approaches utilized for turbulent hot flames can be utilized for turbulent cool flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical simulation of a powered-lift landing, tracking flow features using overset grids, and simulation of high lift devices on a fighter-lift-and-control wing

Attached as appendices to this report are documents describing work performed on the simulation of a landing powered-lift delta wing, the tracking of flow features using overset grids, and the simulation of flaps on the Wright Patterson Lab's fighter-lift-and-control (FLAC) wing. Numerical simulation of a powered-lift landing includes the computation of flow about a delta wing at four fixed heights as well as a simulated landing, in which the delta wing descends toward the ground. Comparison of computed and experimental lift coefficients indicates that the simulations capture the qualitative trends in lift-loss encountered by thrust-vectoring aircraft operating in ground effect. Power spectra of temporal variations of pressure indicate computed vortex shedding frequencies close to the jet exit are in the experimentally observed frequency range; the power spectra of pressure also provide insights into the mechanisms of lift oscillations. Also, a method for using overset grids to track dynamic flow features is described and the method is validated by tracking a moving shock and vortices shed behind a circular cylinder. Finally, Chimera gridding strategies were used to develop pressure coefficient contours for the FLAC wing for a Mach no. of 0.18 and Reynolds no. of 2.5 million.

Chawla, Kalpana↗

Numerical simulation of experiments in the Giant Planet Facility

Utilizing a series of existing computer codes, ablation experiments in the Giant Planet Facility are numerically simulated. Of primary importance is the simulation of the low Mach number shock layer that envelops the test model. The RASLE shock-layer code, used in the Jupiter entry probe heat-shield design, is adapted to the experimental conditions. RASLE predictions for radiative and convective heat fluxes are in good agreement with calorimeter measurements. In simulating carbonaceous ablation experiments, the RASLE code is coupled directly with the CMA material response code. For the graphite models, predicted and measured recessions agree very well. Predicted recession for the carbon phenolic models is 50% higher than that measured. This is the first time codes used for the Jupiter probe design have been compared with experiments.

Green, M. J.↗