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At least 1,513 records · Page 84

A diffuse interface model with immiscibility preservation

A new, simple, and computationally efficient interface capturing scheme based on a diffuse interface approach is presented for simulation of compressible multiphase flows. Multi-fluid interfaces are represented using field variables (interface functions) with associated transport equations that are augmented, with respect to an established formulation, to enforce a selected interface thickness. The resulting interface region can be set just thick enough to be resolved by the underlying mesh and numerical method, yet thin enough to provide an efficient model for dynamics of well-resolved scales. A key advance in the present method is that the interface regularization is asymptotically compatible with the thermodynamic mixture laws of the mixture model upon which it is constructed. It incorporates first-order pressure and velocity non-equilibrium effects while preserving interface conditions for equilibrium flows, even within the thin diffused mixture region. We first quantify the improved convergence of this formulation in some widely used one-dimensional configurations, then show that it enables fundamentally better simulations of bubble dynamics. Demonstrations include both a spherical-bubble collapse, which is shown to maintain excellent symmetry despite the Cartesian mesh, and a jetting bubble collapse adjacent a wall. Comparisons show that without the new formulation the jet is suppressed by numerical diffusion leading to qualitatively incorrect results.

42 ENGINEERING↗

Computations of Boiling in Microgravity

The absence (or reduction) of gravity, can lead to major changes in boiling heat transfer. On Earth, convection has a major effect on the heat distribution ahead of an evaporation front, and buoyancy determines the motion of the growing bubbles. In microgravity, convection and buoyancy are absent or greatly reduced and the dynamics of the growing vapor bubbles can change in a fundamental way. In particular, the lack of redistribution of heat can lead to a large superheat and explosive growth of bubbles once they form. While considerable efforts have been devoted to examining boiling experimentally, including the effect of microgravity, theoretical and computational work have been limited. Here, the growth of boiling bubbles is studied by direct numerical simulations where the flow field is fully resolved and the effects of inertia, viscosity, surface deformation, heat conduction and convection, as well as the phase change, are fully accounted for. Boiling involves both fluid flow and heat transfer and thus requires the solution of the Navier-Stokes and the energy equations. The numerical method is based on writing one set of governing transport equations which is valid in both the liquid and vapor phases. This local, single-field formulation incorporates the effect of the interface in the governing equations as source terms acting only at the interface. These sources account for surface tension and latent heat in the equations for conservation of momentum and energy as well as mass transfer across the interface due to phase change. The single-field formulation naturally incorporates the correct mass, momentum and energy balances across the interface. Integration of the conservation equations across the interface directly yields the jump conditions derived in the local instant formulation for two-phase systems. In the numerical implementation, the conservation equations for the whole computational domain (both vapor and liquid) are solved using a stationary grid and the phase boundary is followed by a moving unstructured two-dimensional grid. While two-dimensional simulations have been used for preliminary studies and to examine the resolution requirement, the focus is on fully three-dimensional simulations. The numerical methodology, including the parallelization and grid refinement strategy is discussed, and preliminary results shown. For buoyancy driven flow, the heat transfer is in good agreement with experimental correlations. The changes when gravity is turned off and/or fluid shear is added are discussed, as well as the difference between simulations of a layer freely releasing bubbles versus simulations using only one wavelength initial perturbation. Figure 1 shows the early stages of the formation of a three-dimensional bubble from a thin vapor layer. The boundary conditions are periodic in the x and y direction, the bottom is a hot and the top allows a free outflow. The jagged edge of the surface close to the bottom of the computational domain is due to some of the surface elements being on the other side of the domain and some elements not plotted by our plotting routine. In the second figure, we show the temperature distribution through two perpendicular planes.

Tryggvason, G.↗

Large-Eddy Simulations of a Single-Injector Cooling Flow Using the High-Order Flux Reconstruction Method

A single-injector cooling flow into a heated crossflow was used as a validation case for large eddy simulations (LES) from two high-order CFD codes with comparisons to a state-of-the-art Reynolds averaged Navier-Stokes (RANS) turbulence model. The focus of this paper is on the validation of LES for one of the high-order CFD codes, namely the GFR (Glenn Flux Reconstruction) code that is being developed at NASA Glenn Research Center. Fourth-order LES were performed for the single-injector cooling flow configuration at blowing ratios of both 1.0 and 2.0, and a fifth-order LES was also performed with a blowing ratio of 1.0. The GFR simulations agree very well with the experiment mean quantities and reasonably well with the experiment turbulence quantities. The LES solutions from GFR and the other high-order CFD code, FDL3DI, agreed very closely for nearly every flow quantity examined, despite the fact that these two codes use completely different numerical methods, different grid geometries and domains, and different inflow boundary conditions. Finally, both LES show a significant accuracy improvement over RANS turbulence models for flows with large temperature gradients, where the standard gradient diffusion approximation is insufficient for temperature predictions.

Large Eddy Simulations↗

Large Eddy Simulations of a Single-Injector Cooling Flow Using the High-Order Flux Reconstruction Method

A single-injector cooling flow into a heated crossflow was used as a validation case for large eddy simulations (LES) from two high-order CFD codes with comparisons to a state-of-the-art Reynolds averaged Navier-Stokes (RANS) turbulence model. The focus of this paper is on the validation of LES for one of the high-order CFD codes, namely the GFR (Glenn Flux Reconstruction) code that is being developed at NASA Glenn Research Center. Fourth-order LES were performed for the single-injector cooling flow configuration at blowing ratios of both 1.0 and 2.0, and a fifth-order LES was also performed with a blowing ratio of 1.0. The GFR simulations agree very well with the experiment mean quantities and reasonably well with the experiment turbulence quantities. The LES solutions from GFR and the other high-order CFD code, FDL3DI, agreed very closely for nearly every flow quantity examined, despite the fact that these two codes use completely different numerical methods, different grid geometries and domains, and different inflow boundary conditions. Finally, both LES show a significant accuracy improvement over RANS turbulence models for flows with large temperature gradients, where the standard gradient diffusion approximation is insufficient for temperature predictions.

Large Eddy Simulation↗

Simulation of the conditions of wave excitation for the optimization of the lower hybrid current drive in the Globus-M spherical tokamak

At present, the method of current drive by means of lower hybrid waves is not applied to low-aspect-ratio tokamaks, because, in the traditional approach, it would be necessary to use waves with a very high slowing-down factor. However, studies of new transparency regions for waves in a nonuniform magnetized plasma, performed earlier at the Ioffe Physical Technical Institute, Russian Academy of Sciences, made it possible to develop an approach in which slow waves are excited in the poloidal (rather than toroidal) direction. In this approach, moderately slowed-down waves first propagate in the poloidal direction, but then turn in the toroidalal direction and get into the dense plasma. In this work, this approach is further developed using numerical methods. In particular, the influence of the density profile in the edge plasma on the efficiency of wave excitation for given antenna parameters is studied in detail.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Resonant frequency calculations using a hybrid perturbation-Galerkin technique

A two-step hybrid perturbation Galerkin technique is applied to the problem of determining the resonant frequencies of one or several degree of freedom nonlinear systems involving a parameter. In one step, the Lindstedt-Poincare method is used to determine perturbation solutions which are formally valid about one or more special values of the parameter (e.g., for large or small values of the parameter). In step two, a subset of the perturbation coordinate functions determined in step one is used in Galerkin type approximation. The technique is illustrated for several one degree of freedom systems, including the Duffing and van der Pol oscillators, as well as for the compound pendulum. For all of the examples considered, it is shown that the frequencies obtained by the hybrid technique using only a few terms from the perturbation solutions are significantly more accurate than the perturbation results on which they are based, and they compare very well with frequencies obtained by purely numerical methods.

Geer, James F.↗

Resonant frequency calculations using a hybrid perturbation-Galerkin technique

A two-step hybrid perturbation Galerkin technique is applied to the problem of determining the resonant frequencies of one or several degrees of freedom nonlinear systems involving a parameter. In one step, the Lindstedt-Poincare method is used to determine perturbation solutions which are formally valid about one or more special values of the parameter (e.g., for large or small values of the parameter). In step two, a subset of the perturbation coordinate functions determined in step one is used in Galerkin type approximation. The technique is illustrated for several one degree of freedom systems, including the Duffing and van der Pol oscillators, as well as for the compound pendulum. For all of the examples considered, it is shown that the frequencies obtained by the hybrid technique using only a few terms from the perturbation solutions are significantly more accurate than the perturbation results on which they are based, and they compare very well with frequencies obtained by purely numerical methods.

Geer, James F.↗

Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials↗

Benchmark study of a new simplified DFN model for shearing of intersecting fractures and faults

It is challenging to quantitatively predict shearing of intersecting fractures/faults because of dynamic frictional contacts accompanied by possible nonlinear rock deformation. To address such challenges, a new conceptual model—the simplified DFN model—was proposed and validated by Hu et al. 46 to use major paths (MPs) to represent complicated DFNs for calculation of shearing. In this work, we conducted a benchmark study for three examples that involve different levels of complexity of intersecting fractures, and correspondingly different numbers of MPs. The codes and software that were used in the benchmark cover a range of continuum, discontinuum and hybrid numerical methods: NMM (LBNL), FLAC3D (LBNL), GBDEM (KIGAM), FRACOD (DynaFrax), and CASRock (CAS). The general consistency between DFN and MP cases as predicted by all the codes/software demonstrates that major paths can be used to simplify the geometry of DFNs in a wide range of software. Disagreement in results made by some software and potential future improvements are discussed. We show that (1) shearing of one or multiple major fractures can be reduced if there are multiple smaller intersecting fractures in that area, which is a useful basis for understanding and controlling induced seismicity and merits further analysis, and (2) the agreement achieved in the benchmark examples provide confidence that the simplified DFN model is a promising conceptual model that can be used for different types of numerical approaches and software for simplifying the analysis of the shearing of intersecting fractures and faults.

58 GEOSCIENCES↗

Physics‐based iterative reconstruction for dual‐source and flying focal spot computed tomography

Purpose For single‐source helical Computed Tomography (CT), both Filtered‐Back Projection (FBP) and statistical iterative reconstruction have been investigated. However, for dual‐source CT with flying focal spot (DS‐FFS CT), a statistical iterative reconstruction that accurately models the scanner geometry and acquisition physics remains unknown to researchers. Therefore, our purpose is to present a novel physics‐based iterative reconstruction method for DS‐FFS CT and assess its image quality. Methods Our algorithm uses precise physics models to reconstruct from the native cone‐beam geometry and interleaved dual‐source helical trajectory of a DS‐FFS CT. To do so, we construct a noise physics model to represent data acquisition noise and a prior image model to represent image noise and texture. In addition, we design forward system models to compute the locations of deflected focal spots, the dimension, and sensitivity of voxels and detector units, as well as the length of intersection between x‐rays and voxels. The forward system models further represent the coordinated movement between the dual sources by computing their x‐ray coverage gaps and overlaps at an arbitrary helical pitch. With the above models, we reconstruct images by an advanced Consensus Equilibrium (CE) numerical method to compute the maximum a posteriori estimate to a joint optimization problem that simultaneously fits all models. Results We compared our reconstruction with Siemens ADMIRE, which is the clinical standard hybrid iterative reconstruction (IR) method for DS‐FFS CT, in terms of spatial resolution, noise profile, and image artifacts through both phantoms and clinical scan datasets. Experiments show that our reconstruction has a higher spatial resolution, with a Task‐Based Modulation Transfer Function (MTF task ) consistently higher than the clinical standard hybrid IR. In addition, our reconstruction shows a reduced magnitude of image undersampling artifacts than the clinical standard. Conclusions By modeling a precise geometry and avoiding data rebinning or interpolation, our physics‐based reconstruction achieves a higher spatial resolution and fewer image artifacts with smaller magnitude than the clinical standard hybrid IR.

Wang, Xiao↗

A Segregated Approach for Modeling the Electrochemistry in the 3-D Microstructure of Li-Ion Batteries and Its Acceleration Using Block Preconditioners

Abstract Battery performance is strongly correlated with electrode microstructure. Electrode materials for lithium-ion batteries have complex microstructure geometries that require millions of degrees of freedom to solve the electrochemical system at the microstructure scale. A fast-iterative solver with an appropriate preconditioner is then required to simulate large representative volume in a reasonable time. In this work, a finite element electrochemical model is developed to resolve the concentration and potential within the electrode active materials and the electrolyte domains at the microstructure scale, with an emphasis on numerical stability and scaling performances. The block Gauss-Seidel (BGS) numerical method is implemented because the system of equations within the electrodes is coupled only through the nonlinear Butler–Volmer equation, which governs the electrochemical reaction at the interface between the domains. The best solution strategy found in this work consists of splitting the system into two blocks—one for the concentration and one for the potential field—and then performing block generalized minimal residual preconditioned with algebraic multigrid, using the FEniCS and the Portable, Extensible Toolkit for Scientific Computation libraries. Significant improvements in terms of time to solution (six times faster) and memory usage (halving) are achieved compared with the MUltifrontal Massively Parallel sparse direct Solver. Additionally, BGS experiences decent strong parallel scaling within the electrode domains. Last, the system of equations is modified to specifically address numerical instability induced by electrolyte depletion, which is particularly valuable for simulating fast-charge scenarios relevant for automotive application.

25 ENERGY STORAGE↗

Transfer of autocollimator calibration for use with scanning gantry profilometers for accurate determination of surface slope and curvature of state-of-the-art x-ray mirrors

X-ray optics, desired for beamlines at free-electron-laser and diffraction-limited-storage-ring x-ray light sources, must have almost perfect surfaces, capable of delivering light to experiments without significant degradation of brightness and coherence. To accurately characterize such optics at an optical metrology lab, two basic types of surface slope profilometers are used: The long trace profilers (LTPs) and nanometer optical measuring (NOM) like angular deflectometers, based on electronic autocollimator (AC) ELCOMAT-3000. The inherent systematic errors of the instrument's optical sensors set the principle limit to their measuring performance. Where autocollimator of a NOM-like profiler may be calibrated at a unique dedicated facility, this is for a particular configuration of distance, aperture size, and angular range that does not always match the exact use in a scanning measurement with the profiler. Here we discuss the developed methodology, experimental set-up, and numerical methods of transferring the calibration of one reference AC to the scanning AC of the Optical Surface Measuring System (OSMS), recently brought to operation at the ALS Xray Optics Laboratory. We show that precision calibration of the OSMS performed in three steps, allows us to provide high confidence and accuracy low-spatial-frequency metrology and not â€print into' measurements the inherent systematic error of tool in use. Here, with the examples of the OSMS measurements with a state-of-The-Art x-ray aspherical mirror, available from one of the most advanced vendors of X-ray optics, we demonstrate the high efficacy of the developed calibration procedure. The results of our work are important for obtaining high reliability data, needed for sophisticated numerical simulations of beamline performance and optimization of beamline usage of the optics. This work was supported by the U. S. Department of Energy under contract number DE-AC02-05CH11231.

47 OTHER INSTRUMENTATION↗

Micromechanics Analysis Code (MAC) Developed

The ability to accurately predict the thermomechanical deformation response of advanced composite materials continues to play an important role in the development of these strategic materials. Analytical models that predict the effective behavior of composites are used not only by engineers in performing structural analysis of large-scale composite components but also by material scientists in developing new material systems. For an analytical model to fulfill these two distinct functions, it must be based on a micromechanics approach that uses physically based deformation and life constitutive models, and it must allow one to generate the average (macro) response of a composite material given the properties of the individual constituents and their geometric arrangement. Only then can such a model be used by a material scientist to investigate the effect of different deformation mechanisms on the overall response of the composite and, thereby, identify the appropriate constituents for a given application. However, if a micromechanical model is to be used in a large-scale structural analysis it must be (1) computationally efficient, (2) able to generate accurate displacement and stress fields at both the macro and micro level, and (3) compatible with the finite element method. In addition, new advancements in processing and fabrication techniques now make it possible to engineer the architectures of these advanced composite systems. Full utilization of these emerging manufacturing capabilities require the development of a computationally efficient micromechanics analysis tool that can accurately predict the effect of microstructural details on the internal and macroscopic behavior of composites. Computational efficiency is required because (1) a large number of parameters must be varied in the course of engineering (or designing) composite materials and (2) the optimization of a material's microstructure requires that the micromechanics model be integrated with optimization algorithms. From this perspective, analytical approaches that produce closed-form expressions which describe the effect of a material's internal architecture on the overall material behavior are preferable to numerical methods such as the finite element or finite difference schemes.

Source record↗

Microwave-based laboratory experiments for internally-heated mantle convection

The thermal evolution of terrestrial planets is mainly controlled by the amount of radioactive heat sources in their mantle, and by the geometry and efficiency of solid state thermo-chemical convection within. So far, these systems have been studied using numerical methods only and cross validation by laboratory analogous experiments has not been conducted yet. To fill this gap we perform the first laboratory experiments of mantle convection driven by microwave-generated internal heating. We use a 30×30×5 cm{sup 3} experimental tank filled with 0.5 % Natrosol in water mixture (viscosity 0.6 Pa.s at 20°C). The fluid is heated from within by a microwave device that delivers a uniform volumetric heating from 10 to 70 kW/m{sup 3}; the upper boundary of the fluid is kept at constant temperature, whereas the lower boundary is adiabatic. The velocity field is determined with particle image velocimetry and the temperature field is measured using thermochromic liquid crystals which enable us to charaterize the geometry of the convective regime as well as its bulk thermal evolution. Numerical simulations, conducted using Stag-3D in 3D cartesian geometry, reproduce the experimental setup (i.e., boundary conditions, box aspect ratio, temperature dependence of physical parameters, internal heating rate). The successful comparison between the experimental and numerical results validates our approach of modelling internal heating using microwaves.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Study of stopping power for a proton moving in a plasma with arbitrary degeneracy

Excitation of bulk solid electrons with arbitrary degeneracy, by external charged particles, is investigated by a two-dimensional nonlinear quantum hydrodynamic (QHD) model. The nonlinear stopping power and wake potential are calculated by solving the nonlinear QHD equations with the flux corrected transport numerical method. Two cases of fully degenerated and partially degenerated electrons are compared and discussed in the same self-consistent QHD model. Our results are consistent with the well known dielectric calculation of the stopping power at higher velocity, but include the nonlinear terms of the interactions and give larger stopping power at smaller velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of a Numerical Wave Tank to Support WETS Activities, 3rd Marine Energy Technology Symposium (METS), Washington, D.C.

This paper outlines a suite of numerical methods developed to aid in the power prediction of Wave Energy Conversion (WEC) devices such as may be tested at the Navy's Wave Energy Test Site (WETS) in Hawaii. The NWT developed with the open-source OpenFOAM CFD solver has been successfully validated with well-known experimental data. Currently, work is in progress to combine drag data from CFD/SPH, WAMIT output and wave climate data at the site into a single time domain framework, to efficiently predict WEC power performance.

16 TIDAL AND WAVE POWER↗

PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method

Abstract A new phase-field modeling framework with an emphasis on performance, flexibility, and ease of use is presented. Foremost among the strategies employed to fulfill these objectives are the use of a matrix-free finite element method and a modular, application-centric code structure. This approach is implemented in the new open-source PRISMS-PF framework. Its performance is enabled by the combination of a matrix-free variant of the finite element method with adaptive mesh refinement, explicit time integration, and multilevel parallelism. Benchmark testing with a particle growth problem shows PRISMS-PF with adaptive mesh refinement and higher-order elements to be up to 12 times faster than a finite difference code employing a second-order-accurate spatial discretization and first-order-accurate explicit time integration. Furthermore, for a two-dimensional solidification benchmark problem, the performance of PRISMS-PF meets or exceeds that of phase-field frameworks that focus on implicit/semi-implicit time stepping, even though the benchmark problem’s small computational size reduces the scalability advantage of explicit time-integration schemes. PRISMS-PF supports an arbitrary number of coupled governing equations. The code structure simplifies the modification of these governing equations by separating their definition from the implementation of the numerical methods used to solve them. As part of its modular design, the framework includes functionality for nucleation and polycrystalline systems available in any application to further broaden the phenomena that can be used to study. The versatility of this approach is demonstrated with examples from several common types of phase-field simulations, including coarsening subsequent to spinodal decomposition, solidification, precipitation, grain growth, and corrosion.

36 MATERIALS SCIENCE↗

SU-E-CAMPUS-J-04: Image Guided Radiation Therapy (IGRT): Review of Technical Standards and Credentialing in Radiotherapy Clinical Trials

Purpose: To review IGRT credentialing experience and unexpected technical issues encountered in connection with advanced radiotherapy technologies as implemented in RTOG clinical trials. To update IGRT credentialing procedures with the aim of improving the quality of the process, and to increase the proportion of IGRT credentialing compliance. To develop a living disease site-specific IGRT encyclopedia. Methods: Numerous technical issues were encountered during the IGRT credentialing process. The criteria used for credentialing review were based on: image quality; anatomy included in fused data sets and shift results. Credentialing requirements have been updated according to the AAPM task group reports for IGRT to ensure that all required technical items are included in the quality review process. Implementation instructions have been updated and expanded for recent protocols. Results: Technical issues observed during the credentialing review process include, but are not limited to: poor quality images; inadequate image acquisition region; poor data quality; shifts larger than acceptable; no soft tissue surrogate. The updated IGRT credentialing process will address these issues and will also include the technical items required from AAPM: TG 104; TG 142 and TG 179 reports. An instruction manual has been developed describing a remote credentialing method for reviewers. Submission requirements are updated, including images/documents as well as facility questionnaire. The review report now includes summary of the review process and the parameters that reviewers check. We have reached consensus on the minimum IGRT technical requirement for a number of disease sites. RTOG 1311(NRG-BR002A Phase 1 Study of Stereotactic Body Radiotherapy (SBRT) for the Treatment of Multiple Metastases) is an example, here; the protocol specified the minimum requirement for each anatomical sites (with/without fiducials). Conclusion: Technical issues are identified and reported. IGRT guidelines are updated, with the corresponding credentialing requirements. An IGRT encyclopedia describing site-specific implementation issues is currently in development.

60 APPLIED LIFE SCIENCES↗