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

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At least 19 records

Efficient Conservative Numerical Schemes for 1D Nonlinear Spherical Diffusion Equations with Applications in Battery Modeling

Mathematical models of batteries which make use of the intercalation of a species into a solid phase need to solve the corresponding mass transfer problem. Because solving this equation can significantly add to the computational cost of a model, various methods have been devised to reduce the computational time. In this paper we focus on a comparison of the formulation, accuracy, and order of the accuracy for two numerical methods of solving the spherical diffusion problem with a constant or non-constant diffusion coefficient: the finite volume method and the control volume method. Both methods provide perfect mass conservation and second order accuracy in mesh spacing, but the control volume method provides the surface concentration directly, has a higher accuracy for a given numbers of mesh points and can also be easily extended to variable mesh spacing. Variable mesh spacing can significantly reduce the number of points that are required to achieve a given degree of accuracy in the surface concentration (which is typically coupled to the other battery equations) by locating more points where the concentration gradients are highest. (C) 2013 The Electrochemical Society. All rights reserved.

Zeng, Y↗

FEHM V3.0 - V3.X

The numerical background of the FEHM computer code can be traced to the early 1970s when it was used to simulate geothermal and hot dry rock reservoirs. The primary use over a number of years was to assist in the understanding of flow fields and mass transport in the saturated and unsaturated zones below the potential Yucca Mountain repository. Today FEHM is used to simulate groundwater and contaminant flow and transport in deep and shallow, fractured and un-fractured porous media throughout the US DOE complex. FEHM has proved to be a valuable asset on a variety of projects of national interest including Environmental Remediation of the Nevada Test Site, the LANL Groundwater Protection Program, geologic CO2 sequestration, Enhanced Geothermal Energy (EGS) programs, Oil and Gas production, Nuclear Waste Isolation, and Arctic Permafrost. Subsurface physics has ranged from single fluid/single phase fluid flow when simulating basin scale groundwater aquifers to complex multifluid/ multi-phase fluid flow that includes phase change with boiling and condensing in applications such as unsaturated zone surrounding nuclear waste storage facility or leakage of CO2/brine through faults or wellbores. The numerical method used in FEHM is the control volume method (CV) for fluid flow and heat transfer equations which allows FEHM to exactly enforce energy/mass conservation; while an option is available to use the finite element (FE) method for displacement equations to obtain more accurate stress calculations. In addition to these standard methods, an option to use FE for flow is available, as well as a simple Finite Difference scheme.

Pawar, Rajesh↗

A fast matrix-free approach to the high-order control volume finite element method with application to low-Mach flow

Here, a fast matrix-free formulation of the control volume finite element method is presented, requiring much less memory and computational work than previous efforts. The method is implemented and evaluated as a solver for low-Mach flow, including the evaluation of a preconditioning strategy for the pressure Poisson equation. The efficiency and scaling with polynomial order is evaluated on simple turbulent flows of interest, with appropriate solution quality metrics, and compared with a reference node-centered finite volume discretization. For a turbulent channel flow test, we show improvement in computational work for a given accuracy with the high-order scheme. The performance on a GPU accelerated platform is also investigated, with benefit shown for the matrix-free discretization.

42 ENGINEERING↗

Control Volume Finite Element Method with Multidimensional Edge Element Scharfetter-Gummel upwinding. Part 2. Computational Study

In [3] we proposed a new Control Volume Finite Element Method with multi-dimensional, edge- based Scharfetter-Gummel upwinding (CVFEM-MDEU). This report follows up with a detailed computational study of the method. The study compares the CVFEM-MDEU method with other CVFEM and FEM formulations for a set of standard scalar advection-diffusion test problems in two dimensions. The first two CVFEM formulations are derived from the CVFEM-MDEU by simplifying the computation of the flux integrals on the sides of the control volumes, the third is the nodal CVFEM [2] without upwinding, and the fourth is the streamline upwind version of CVFEM [10]. The finite elements in our study are the standard Galerkin, SUPG and artificial diffusion methods. All studies employ logically Cartesian partitions of the unit square into quadrilateral elements. Both uniform and non-uniform grids are considered. Our results demonstrate that CVFEM-MDEU and its simplified versions perform equally well on rectangular or nearly rectangular grids. However, performance of the simplified versions significantly degrades on non-affine grids, whereas the CVFEM-MDEU remains stable and accurate over a wide range of mesh Peclet numbers and non-affine grids. Compared to FEM formulations the CVFEM-MDEU appears to be slightly more dissipative than the SUPG, but has much less local overshoots and undershoots.

97 MATHEMATICS AND COMPUTING↗

A multiscale control volume finite element method for advection–diffusion equations

Summary We present a new stabilized method for advection–diffusion equations, which combines a control volume FEM formulation of the governing equations with a novel multiscale approximation of the total flux. The latter incorporates information about the exact solution that cannot be represented on the mesh. To define this flux, we solve the governing equations along suitable mesh segments under the assumption that the flux varies linearly along these segments. This procedure yields second‐order accurate fluxes on the edges of the mesh. Then, we use curl‐conforming elements of the same order to lift these edge fluxes into the mesh elements. In so doing, we obtain a stabilized control volume FEM formulation that is second‐order accurate and does not require mesh‐dependent stabilization parameters. Numerical convergence studies on uniform and nonuniform grids along with several standard advection tests illustrate the computational properties of the new method. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.

Bochev, Pavel↗

Consideration of the Impact of the Environmental Conditions when Designing Heat-Receiving Systems of the Solar Cylindrical Parabolic Modules

The aerohydrodynamic and heat exchange characteristics in the cylindrical heat receiver of a solar cylindrical parabolic concentrating module are investigated. The mathematical model is based on the Navier- Stokes equation system for a laminar flow in a channel. The model is implemented using the control volume method. The created computer algorithm allows carrying out parametric studies and revealing the most rational geometric, dynamic, and power parameters of the process. The proposed model describes the general physical outlines of the heat exchange in a cylindrical heat receiver which allows estimating the influence of the environment—wind velocity, ambient temperature, etc.—on it.

14 SOLAR ENERGY↗

Nonlinear bioheat transfer models and multi-objective numerical optimization of the cryosurgery operations

Numerical computation of the three dimensional problem of the freezing interface propagation during the cryosurgery coupled with the multi-objective optimization methods is used in order to improve the efficiency and safety of the cryosurgery operations performing. Prostate cancer treatment and cutaneous cryosurgery are considered. The heat transfer in soft tissue during the thermal exposure to low temperature is described by the Pennes bioheat model and is coupled with an enthalpy method for blurred phase change computations. The finite volume method combined with the control volume approximation of the heat fluxes is applied for the cryosurgery numerical modeling on the tumor tissue of a quite arbitrary shape. The flux relaxation approach is used for the stability improvement of the explicit finite difference schemes. The method of the additional heating elements mounting is studied as an approach to control the cellular necrosis front propagation. Whereas the undestucted tumor tissue and destucted healthy tissue volumes are considered as objective functions, the locations of additional heating elements in cutaneous cryosurgery and cryotips in prostate cancer cryotreatment are considered as objective variables in multi-objective problem. The quasi-gradient method is proposed for the searching of the Pareto front segments as the multi-objective optimization problem solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cervical Gross Tumor Volume Dose Predicts Local Control Using Magnetic Resonance Imaging/Diffusion-Weighted Imaging—Guided High-Dose-Rate and Positron Emission Tomography/Computed Tomography—Guided Intensity Modulated Radiation Therapy

Purpose: Magnetic resonance imaging/diffusion weighted-imaging (MRI/DWI)-guided high-dose-rate (HDR) brachytherapy and {sup 18}F-fluorodeoxyglucose (FDG) — positron emission tomography/computed tomography (PET/CT)-guided intensity modulated radiation therapy (IMRT) for the definitive treatment of cervical cancer is a novel treatment technique. The purpose of this study was to report our analysis of dose-volume parameters predicting gross tumor volume (GTV) control. Methods and Materials: We analyzed the records of 134 patients with International Federation of Gynecology and Obstetrics stages IB1-IVB cervical cancer treated with combined MRI-guided HDR and IMRT from July 2009 to July 2011. IMRT was targeted to the metabolic tumor volume and lymph nodes by use of FDG-PET/CT simulation. The GTV for each HDR fraction was delineated by use of T2-weighted or apparent diffusion coefficient maps from diffusion-weighted sequences. The D100, D90, and Dmean delivered to the GTV from HDR and IMRT were summed to EQD2. Results: One hundred twenty-five patients received all irradiation treatment as planned, and 9 did not complete treatment. All 134 patients are included in this analysis. Treatment failure in the cervix occurred in 24 patients (18.0%). Patients with cervix failures had a lower D100, D90, and Dmean than those who did not experience failure in the cervix. The respective doses to the GTV were 41, 58, and 136 Gy for failures compared with 67, 99, and 236 Gy for those who did not experience failure (P<.001). Probit analysis estimated the minimum D100, D90, and Dmean doses required for ≥90% local control to be 69, 98, and 260 Gy (P<.001). Conclusions: Total dose delivered to the GTV from combined MRI-guided HDR and PET/CT-guided IMRT is highly correlated with local tumor control. The findings can be directly applied in the clinic for dose adaptation to maximize local control.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Particle tracking approach for transport in three-dimensional discrete fracture networks: Particle tracking in 3-D DFNs

The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates mass balance-related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces, and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. As a result, we demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.

58 GEOSCIENCES↗

Deploy production sliding mesh capability with linear solver benchmarking.

Wind applications require the ability to simulate rotating blades. To support this use-case, a novel design-order sliding mesh algorithm has been developed and deployed. The hybrid method combines the control volume finite element methodology (CVFEM) with concepts found within a discontinuous Galerkin (DG) finite element method (FEM) to manage a sliding mesh. The method has been demonstrated to be design-order for the tested polynomial basis (P=1 and P=2) and has been deployed to provide production simulation capability for a Vestas V27 (225 kW) wind turbine. Other stationary and canonical rotating ow simulations are also presented. As the majority of wind-energy applications are driving extensive usage of hybrid meshes, a foundational study that outlines near-wall numerical behavior for a variety of element topologies is presented. Results indicate that the proposed nonlinear stabilization operator (NSO) is an effective stabilization methodology to control Gibbs phenomena at large cell Peclet numbers. The study also provides practical mesh resolution guidelines for future analysis efforts. Application-driven performance and algorithmic improvements have been carried out to increase robustness of the scheme on hybrid production wind energy meshes. Specifically, the Kokkos-based Nalu Kernel construct outlined in the FY17/Q4 ExaWind milestone has been transitioned to the hybrid mesh regime. This code base is exercised within a full V27 production run. Simulation timings for parallel search and custom ghosting are presented. As the low-Mach application space requires implicit matrix solves, the cost of matrix reinitialization has been evaluated on a variety of production meshes. Results indicate that at low element counts, i.e., fewer than 100 million elements, matrix graph initialization and preconditioner setup times are small. However, as mesh sizes increase, e.g., 500 million elements, simulation time associated with \setup-up" costs can increase to nearly 50% of overall simulation time when using the full Tpetra solver stack and nearly 35% when using a mixed Tpetra- Hypre-based solver stack. The report also highlights the project achievement of surpassing the 1 billion element mesh scale for a production V27 hybrid mesh. A detailed timing breakdown is presented that again suggests work to be done in the setup events associated with the linear system. In order to mitigate these initialization costs, several application paths have been explored, all of which are designed to reduce the frequency of matrix reinitialization. Methods such as removing Jacobian entries on the dynamic matrix columns (in concert with increased inner equation iterations), and lagging of Jacobian entries have reduced setup times at the cost of numerical stability. Artificially increasing, or bloating, the matrix stencil to ensure that full Jacobians are included is developed with results suggesting that this methodology is useful in decreasing reinitialization events without loss of matrix contributions. With the above foundational advances in computational capability, the project is well positioned to begin scientific inquiry on a variety of wind-farm physics such as turbine/turbine wake interactions.

97 MATHEMATICS AND COMPUTING↗