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At least 19 records

Calculation of contact angles at triple phase boundary in solid oxide fuel cell anode using the level set method

A level set method is applied to characterize the three dimensional structures of nickel, yttria stabilized zirconia and pore phases in solid oxide fuel cell anode reconstructed by focused ion beam-scanning electron microscope. A numerical algorithm is developed to evaluate the contact angles at the triple phase boundary based on interfacial normal vectors which can be calculated from the signed distance functions defined for each of the three phases. Furthermore, surface tension force is estimated from the contact angles by assuming the interfacial force balance at the triple phase boundary. The average contact angle values of nickel, yttria stabilized zirconia and pore are found to be 143°–156°, 83°–138° and 82°–123°, respectively. The mean contact angles remained nearly unchanged after 100 hour operation. However, the contact angles just after reduction are different for the cells with different sintering temperatures. In addition, standard deviations of the contact angles are very large especially for yttria stabilized zirconia and pore phases. The calculated surface tension forces from mean contact angles were close to the experimental values found in the literature. Slight increase of surface tensions of nickel/pore and nickel/yttria stabilized zirconia were observed after operation. Present data are expected to be used not only for the understanding of the degradation mechanism, but also for the quantitative prediction of the microstructural temporal evolution of solid oxide fuel cell anode. - Highlights: • A level set method is applied to characterize the 3D structures of SOFC anode. • A numerical algorithm is developed to evaluate the contact angles at the TPB. • Surface tension force is estimated from the contact angles. • The average contact angle values are found to be 143o-156o, 83o-138o and 82o-123o. • Present data are expected to understand degradation and predict evolution of SOFC.

36 MATERIALS SCIENCE↗

Simulation of Heterogeneous Atom Probe Tip Shape Evolution during Field Evaporation Using a Level Set Method and Different Evaporation Models

Accurate reconstruction of spatial positions of field evaporated ions from detector patterns depends on a correct understanding of the tip shape evolution and evaporation laws of component atoms. Reconstruction artifacts introduced in the heterogeneous tip can be contributed by the assumption on homogeneous evaporation behavior. A level set method based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured atom probe tip. The simulation results of the shape evolution by the present level set model agree well with the literature data using other numerical approaches, i.e. finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates that the complex evaporation behavior of heterogeneous tips and interface curvature can potentially lead to the tip reconstruction distortion. Compared with other shape evaporation methods the new method provides considerably higher resolution and computational efficiency with the aid of the intrinsic subgrid scale accuracy.

atom probe tomography, field evaporation, tip shap↗

Identifying attributes of CO 2 leakage zones in shallow aquifers using a parametric level set method: Original Research Article: Identifying attributes of CO 2 leakage zones in shallow aquifers using a parametric level set method

Leakage through abandoned wells and geologic faults poses the greatest risk to CO 2 storage permanence. For shallow aquifers, secondary CO 2 plumes emanating from the leak zones may go undetected for a sustained period of time and has the greatest potential to cause large-scale and long-term environmental impacts. Identification of the attributes of leak zones, including their shape, location, and strength, is required for environmental risk assessment. This study applies a parametric level set (PaLS) method to characterize leak zones. Level set methods are appealing for tracking topological changes and recovering unknown shapes of objects. However, level set evolution using the conventional level set methods is computationally challenging. In PaLS, the level set function is approximated by using a weighted sum of basis functions and the level set evolution problem is replaced by an optimization problem. The efficacy of PaLS is demonstrated by reconstructing attributes of a CO 2 leak zone in a carbonate aquifer. Our results show that PaLS is a robust source identification method that can recover the approximate leak zone locations in the presence of measurement errors, model parameter uncertainty, and inaccurate guesses of source flux strengths. Accurate delineation of source geometry is achievable when a relatively dense observation network is used. The PaLS-based, source recovery framework introduced in this work is generic and can be adapted for any reactive transport model by simply switching the pre- and post-processing routines.

54 ENVIRONMENTAL SCIENCES↗

A level set method for cupping artifact correction in cone-beam CT

Purpose: To reduce cupping artifacts and improve the contrast-to-noise ratio in cone-beam computed tomography (CBCT). Methods: A level set method is proposed to reduce cupping artifacts in the reconstructed image of CBCT. The authors derive a local intensity clustering property of the CBCT image and define a local clustering criterion function of the image intensities in a neighborhood of each point. This criterion function defines an energy in terms of the level set functions, which represent a segmentation result and the cupping artifacts. The cupping artifacts are estimated as a result of minimizing this energy. Results: The cupping artifacts in CBCT are reduced by an average of 90%. The results indicate that the level set-based algorithm is practical and effective for reducing the cupping artifacts and preserving the quality of the reconstructed image. Conclusions: The proposed method focuses on the reconstructed image without requiring any additional physical equipment, is easily implemented, and provides cupping correction through a single-scan acquisition. The experimental results demonstrate that the proposed method successfully reduces the cupping artifacts.

60 APPLIED LIFE SCIENCES↗

Online monitoring of oil film using electrical capacitance tomography and level set method

In the application of oil-air lubrication system, electrical capacitance tomography (ECT) provides a promising way for monitoring oil film in the pipelines by reconstructing cross sectional oil distributions in real time. While in the case of small diameter pipe and thin oil film, the thickness of the oil film is hard to be observed visually since the interface of oil and air is not obvious in the reconstructed images. And the existence of artifacts in the reconstructions has seriously influenced the effectiveness of image segmentation techniques such as level set method. Besides, level set method is also unavailable for online monitoring due to its low computation speed. To address these problems, a modified level set method is developed: a distance regularized level set evolution formulation is extended to image two-phase flow online using an ECT system, a narrowband image filter is defined to eliminate the influence of artifacts, and considering the continuity of the oil distribution variation, the detected oil-air interface of a former image can be used as the initial contour for the detection of the subsequent frame; thus, the propagation from the initial contour to the boundary can be greatly accelerated, making it possible for real time tracking. To testify the feasibility of the proposed method, an oil-air lubrication facility with 4 mm inner diameter pipe is measured in normal operation using an 8-electrode ECT system. Both simulation and experiment results indicate that the modified level set method is capable of visualizing the oil-air interface accurately online.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A mass conserving level set method for detailed numerical simulation of liquid atomization

An improved mass conserving level set method for detailed numerical simulations of liquid atomization is developed to address the issue of mass loss in the existing level set method. This method introduces a mass remedy procedure based on the local curvature at the interface, and in principle, can ensure the absolute mass conservation of the liquid phase in the computational domain. Three benchmark cases, including Zalesak's disk, a drop deforming in a vortex field, and the binary drop head-on collision, are simulated to validate the present method, and the excellent agreement with exact solutions or experimental results is achieved. It is shown that the present method is able to capture the complex interface with second-order accuracy and negligible additional computational cost. The present method is then applied to study more complex flows, such as a drop impacting on a liquid film and the swirling liquid sheet atomization, which again, demonstrates the advantages of mass conservation and the capability to represent the interface accurately.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Level set methods for detonation shock dynamics using high-order finite elements

Level set methods are a popular approach to modeling evolving interfaces. We present a level set ad- vection solver in two and three dimensions using the discontinuous Galerkin method with high-order nite elements. During evolution, the level set function is reinitialized to a signed distance function to maintain ac- curacy. Our approach leads to stable front propagation and convergence on high-order, curved, unstructured meshes. The ability of the solver to implicitly track moving fronts lends itself to a number of applications; in particular, we highlight applications to high-explosive (HE) burn and detonation shock dynamics (DSD). We provide results for two- and three-dimensional benchmark problems as well as applications to DSD.

finite element methods↗

An efficient level set method for tracking many materials

Here, we present an efficient level set method to track an arbitrary number of materials. The algorithm is optimal in the sense that it only needs to store a single unsigned distance-like function and a single integer indicator function, independent of the number of materials or distinct regions being tracked. Furthermore, for smooth velocity fields and smooth interface shape, arbitrarily high order solutions can be demonstrated. For interfaces that are or become kinked, the solution is limited to second-order convergence rates in the L 1 norm and first-order in the L ∞ norm.

97 MATHEMATICS AND COMPUTING↗

Two Dimensional Topology Optimization of Heat Exchangers with the Density and Level-Set Methods

We design heat exchangers using two topology optimization approaches: the density, i.e. volume fraction and level set methods. Our goal is to maximize the heat exchange between two fluids in separate channels while constraining the pressure drop across each channel. The heat exchanger is modeled with a coupled thermal-flow formulation. The flow is governed by an isothermal and incompressible Stokes-Brinkman equation and the heat transfer is governed by a convection-diffusion equation with high Peclet number. We solve one set of Stokes-Brinkman equations per fluid. Each Brinkman term in the flow equation serves to model the other phase as a solid, thereby preventing mixing. We first represent the solid and fluid phases using a volume fraction variable and apply a SIMP-like penalization in the Brinkman term to drive the optimization to a discrete design. The cost and constraint function derivatives are automatically calculated with the library pyadjoint and the optimization is performed by the Method of Moving Asymptotes. In a second optimization formulation, we use the level set approach to define the interface that separates the two fluids. Pyadjoint calculates the shape derivatives of the cost and constraint functions and the Hamilton-Jacobi advects the interface, allowing for topological changes. We present results in two dimensions and discuss the advantages and disadvantages of each approach.

42 ENGINEERING↗

Coalescence Prevention Algorithm for Level Set Method

An algorithm to prevent or delay bubble coalescence for the level set (LS) method is presented. This novel algorithm uses the LS method field to detect when bubbles are in close proximity, indicating a potential coalescence event, and applies a repellent force to simulate the unresolved liquid drainage force. The model is introduced by locally modifying the surface tension force near the liquid film drainage area. The algorithm can also simulate the liquid drainage time of the thin film by controlling the length of time the increased surface tension has been applied. Thus, a new method of modeling bubble coalescence has been developed. Several test cases were designed to demonstrate the capabilities of the algorithm. The simulations, including a mesh study, confirmed the abilities to identify and prevent coalescence as well as implement the time tracking portion, with an additional 10–25% computational cost. Ongoing tests aim to verify the algorithm's functionality for simulations with different flow conditions, a ranging number of bubbles, and both structured and unstructured computational mesh types. Specifically, a bubble rising toward a free surface provides a test of performance and demonstrates the ability to consistently prevent coalescence. In addition, a two bubble case and a seven bubble case provide a more complex demonstration of how the algorithm performs for larger simulations. These cases are compared to much more expensive simulations capable of resolving the liquid film drainage (through very high local mesh resolution) to investigate how the algorithm replicates the liquid film drainage process.

Engineering↗

Stochastic level-set method for shape optimisation

We present a new method for stochastic shape optimisation of engineering structures. The method generalises an existing deterministic scheme, in which the structure is represented and evolved by a level-set method coupled with mathematical programming. The stochastic element of the algorithm is built on the methods of statistical mechanics and is designed so that the system explores a Boltzmann–Gibbs distribution of structures. In non-convex optimisation problems, the deterministic algorithm can get trapped in local optima: the stochastic generalisation enables sampling of multiple local optima, which aids the search for the globally-optimal structure. The method is demonstrated for several simple geometrical problems, and a proof-of-principle calculation is shown for a simple engineering structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Phase field and level set methods for modeling solute precipitation and/or dissolution

The dynamics of solid-liquid interfaces controlled by solute precipitation and/or dissolution due to the chemical reaction at the interface were computed in two dimensions using a phase field models. Sharp-interface asymptotic analysis demonstrated that the phase field solutions should converge to the proper sharp-interface precipitation/dissolution limit. For the purpose of comparison, the numerical solution of the sharp-interface model for solute precipitation/dissolution was directly solved using a level set method. In general, the phase field results are found in good agreement with the level set results for all reaction rates and geometry configurations investigated. Present study supports the applications of both methods to more complicated and realistic reactive systems, including the nuclear waste release and mineral precipitation and dissolution

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Two-phase Flow Regime Transition Study using Level-Set Method

In Boiling Water Reactors (BWRs) the coolant exiting the core often has void fractions as high as 50%, resulting in high gas volume fraction two-phase flow regimes, such as annular or churn-turbulent flow. As the coolant boils along the subchannels it will experience flow regime transitions from bubbly to slug, slug to churn, and, finally, churn to annular. While these transition points are known to occur as a higher void develops along the flow path, the driving physics of the transition phenomenon is not well understood. Currently, experiment based correlations are the most reliable method for predicting where in the core the flow regime transitions will occur. However, experimentally, it's ever difficult to observe the details of the two-phase flow at prototypical pressures/temperatures, or, as with high fidelity experiments, the conditions differ from those in a reactor. Being able to predict these flow regime transitions is critical to safe and efficient reactor operations as well as maintaining fuel rod integrity by avoiding dryout. The characterization of flow regimes has been extensively studied, producing a wide set of flow regime maps based on characteristic parameters such as vapor and liquid superficial velocity, time dependent pressure drop, interfacial area density, etc. While these studies are useful in predicting the flow regime for certain geometry and flow conditions, they do not provide a universal predictive capability for any geometry under any conditions. Additionally, it is difficult to achieve reactor realistic pressure and temperature conditions in experiments. Direct Numerical Simulation (DNS) coupled with Interface Tracking Methods (ITMs) becomes advantageous in this case because the simulations are not limited by the material properties or to the real world conditions. DNS allows for analysis of flows that would be impossible to achieve, or observe in detail, experimentally. The finite element based DNS code, PHASTA (parallel, hierarchic, higher-order accurate, adaptive, stabilized transient analysis flow solver), used in this work utilizes the level set ITM and has been previously shown to properly resolve bubbly, slug, and annular flows, but not transitions between the two-phase flow regimes. The present work uses PHASTA to analyze flow in a pipe for various void fractions and superficial velocities. Flow regime transitions were induced to demonstrate the transient behavior of this phenomenon. With the unique advanced analysis capabilities developed in PHASTA that allow for individual bubble tracking, it becomes possible to extract new localized information about the flow behavior that is currently not attainable from experiments. The potential of this capability is to uncover the underlying physics of the flow regime transition phenomenon. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗