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At least 181 records · Page 10

Investigation of Ring-heterogeneous Geometry Approximation for Efficient and Practical SFR Analysis

A novel geometry approximation scheme named ring-heterogeneous approximation for intermediate resolution multiphysics analysis of SFRs is presented. This approach particularly targets neutronics coupled with thermo-mechanics feedback, which dominate the passive safety of SFR designs. The ring-heterogeneous approximation casts an array of pins into volume-preserving bands of materials that constitute the pins. It allows to efficiently simulate SFRs with an unstructured mesh and also to explicitly consider the deformation of each material by retaining their heterogeneity. Verification results with single assembly and core problems of the ABTR benchmark demonstrated that the ring-heterogeneous approximation is a reasonable approximation for SFRs. For a 2D full core problem, the ring-heterogeneous approximation significantly reduced the number of elements by at least a factor of 70 from a fully-heterogeneous mesh while almost exactly preserving the reference fully-heterogeneous solutions with the RMS error of only 0.02% in the ring-wise fission reaction rate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Status of the MARS code

This report describes major features of the most recent version of the MARS code as well as ongoing developments. The list of features includes various options for geometry models, a beam line builder based on MADX code, import of geometry models in GDML format, use of structured and unstructured meshes for scoring purposes, an update to the recent TENDL library for a number of projectiles at low energies (up to 250 MeV), and a recently implemented method to calculate spatial distribution of residual dose in a single computer run without an intermediate source. Examples of the code application to various projects are presented as well.

Rakhno, Igor [Fermilab] (ORCID:0000000265828058)↗

Simulating dust grain-radiation coupling on a moving mesh

ABSTRACT We present a model for the interaction between dust and radiation fields in the radiation hydrodynamic code arepo-rt, which solves the moment-based radiative transfer equations on an unstructured moving mesh. Dust is directly treated using live simulation particles, each of which represent a population of grains that are coupled to hydrodynamic motion through a drag force. We introduce methods to calculate radiation pressure on and photon absorption by dust grains. By including a direct treatment of dust, we are able to calculate dust opacities and update radiation fields self-consistently based on the local dust distribution. This hybrid scheme coupling dust particles to an unstructured mesh for radiation is validated using several test problems with known analytic solutions, including dust driven via spherically symmetric flux from a constant luminosity source and photon absorption from radiation incident on a thin layer of dust. Our methods are compatible with the multifrequency scheme in arepo-rt, which treats UV, optical photons as single scattered and IR photons as multi scattered. At IR wavelengths, we model heating of and thermal emission from dust. Dust and gas are not assumed to be in local thermodynamic equilibrium but transfer energy through collisional exchange. We estimate dust temperatures by balancing these dust-radiation and dust-gas energy exchange rates. This framework for coupling dust and radiation can be applied in future radiation hydrodynamic simulations of galaxy formation.

79 ASTRONOMY AND ASTROPHYSICS↗

Derivation and verification of the direct-sampling method for simulating Monte Carlo flight paths in tetrahedral meshes with linear finite-element cross sections

This paper provides a derivation of a direct-sampling approach for modeling continuously varying cross sections in tetrahedral-mesh-based Monte Carlo codes. Specifically, cross sections are spatially approximated using linear nodal finite elements. A linearization strategy is provided for non-linearly varying cross sections. The method is verified against seven analytical pure-absorber test problems. These test problems also highlight the benefit of using linear finite elements over element-wise-constant cross sections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking

In this work, we present the Feature Tracking Kit (FTK), a framework that simplifies, scales, and delivers various feature-tracking algorithms for scientific data. The key of FTK is our simplicial spacetime meshing scheme that generalizes both regular and unstructured spatial meshes to spacetime while tessellating spacetime mesh elements into simplices. The benefits of using simplicial spacetime meshes include (1) reducing ambiguity cases for feature extraction and tracking, (2) simplifying the handling of degeneracies using symbolic perturbations, and (3) enabling scalable and parallel processing. The use of simplicial spacetime meshing simplifies and improves the implementation of several feature-tracking algorithms for critical points, quantum vortices, and isosurfaces. As a software framework, FTK provides end users with VTK/ParaView filters, Python bindings, a command line interface, and programming interfaces for feature-tracking applications. We demonstrate use cases as well as scalability studies through both synthetic data and scientific applications including tokamak, fluid dynamics, and superconductivity simulations. We also conduct end-to-end performance studies on the Summit supercomputer. FTK is open sourced under the MIT license: https://github.com/hguo/ftk.

97 MATHEMATICS AND COMPUTING↗

Magnetic mesh generation and field line reconstruction for scrape-off layer and divertor modeling in stellarators

The design of divertor targets and baffles for optimal heat and particle exhaust from magnetically confined fusion plasmas requires a combination of fast, low-fidelity models (such as EMC3-Lite (Feng 2022 Plasma Phys. Control. Fusion 64 125012)) for scoping studies and high-fidelity ones (such as EMC3-EIRENE (Feng et al 2014 Contrib. Plasma Phys. 54 426–31)) for verification. Both of those approaches benefit from a magnetic flux tube mesh for fast interpolation and mapping of field line segments (Feng et al 2005 Phys. Plasmas 12 052505). A new automated mesh generator for unstructured quadrilateral flux tubes with adaptive refinement is presented and integrated into FLARE (Frerichs 2024 Nucl. Fusion 64 106034). For HSX with an extended first wall, it is found that several layers of flux tubes can span the entire half field period before splitting is required. This is an advantage over the traditional setup of the EMC3-EIRENE mesh where careful construction of several sub- domains is required already for the much tighter present first wall. In particular, there is no longer the need to manually construct a suitable outer boundary for the mesh. The divide and conquer paradigm with unstructured mesh layout offers a powerful alternative for fast head load approximation that is suitable for integration into optimization workflows. Further examples for W7-X and CTH demonstrate the versatile application range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A method for generating moving, orthogonal, area preserving polygonal meshes

A new method for generating locally orthogonal polygonal meshes from a set of generator points is presented in which polygon areas are a constraint. The area constraint property is particularly useful for particle methods where moving polygons track a discrete portion of material. Because Voronoi polygon meshes have some very attractive mathematical and numerical properties for numerical computation, a generalization of Voronoi polygon meshes was formulated that enforces a polygon area constraint. Area constrained moving polygonal meshes allow one to develop hybrid particle-mesh numerical methods that display some of the most attractive features of each approach. It is shown that this mesh construction method can continuously reconnect a moving, unstructured polygonal mesh in a pseudo-Lagrangian fashion without change in cell area/volume, and the method's ability to simulate various physical scenarios is shown. Overall, the advantages are identified for incompressible fluid flow calculations, with demonstration cases that include material discontinuities of all three phases of matter and large density jumps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-Fidelity, Low-Dissipation/Symmetry-Preserving Numerical Scheme for Solving the Euler Equations with Unstructured, Metric-Based Mesh Adaptation

This work presents an overview of a high-fidelity compressible Euler solver that utilizes the continuous Galerkin (CG) method with added artificial numerical diffusion for stabilization to solve a variety of unsteady and steady benchmark inviscid flow problems. This work shows that discretizing the Euler equations with this CG approach and first order basis functions produces a cost-effective stencil as well as simple well-posed boundary conditions. We show through convergence testing with manufactured solutions that the reduced stencil of CG, combined with the low amount of artificial diffusion required when using the stabilization method outlined in this work, leads to stable and highly accurate results for a variety of unsteady and steady applications. When combined with the adaptive mesh refinement approach used for many of the cases in this work, our results show that the flow solver achieves even more accurate results. A variety of inviscid flow cases are presented in this work, including transient 2D cases with complex shock structures and several steady 3D airfoils sections with a constant span.

Doetsch, Kevin [ORNL] (ORCID:0000000267051705)↗

Wavelet-based local mesh refinement for rainfall–runoff simulations

A wavelet-based local mesh refinement (wLMR) strategy is designed to generate multiresolution and unstructured triangular meshes from real digital elevation model (DEM) data for efficient hydrological simulations at the catchment scale. The wLMR strategy is studied considering slope- and curvature-based refinement criteria to analyze DEM inputs: the slope-based criterion uses bed elevation data as input to the wLMR strategy, whereas the curvature-based criterion feeds the bed slope data into it. The performance of the wLMR meshes generated by these two criteria is compared for hydrological simulations; first, using three analytical tests with the systematic variation in topography types and then by reproducing laboratory- and real-scale case studies. The bed elevation on the wLMR meshes and their simulation results are compared relative to those achieved on the finest uniform mesh. Repeated analytical tests show that the slope- and curvature-based criteria are equally effective with the wLMR strategy, and that it is easier to decide which criterion to take in relation to the (regular) shape of the topography. For the realistic case studies: (i) slope analysis provides a better metric to assess the correlation of a wLMR mesh to the fine uniform mesh and (ii) both criteria predict outlet hydrographs with a close predictive accuracy to that on the uniform mesh, but the curvature-based criterion is found to slightly better capture the channeling patterns of real DEM data.

54 ENVIRONMENTAL SCIENCES↗

Enhance BISON Metal Fuel Transient Models and Enable Assessment Based on Out-of-Pile Transient Experiments

In this report, the activities and achievements made by Argonne National Laboratory for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) BISON code metallic fuel validation and verification (V&V) project in FY2023, with a focus on the capability development and assessment case development for the out-of-pile transient experiments, are summarized. The liquid cladding penetration model was improved based on a comprehensive set of fuel behavior test apparatus (FBTA) test results. The new model was implemented into BISON along with a simple model to account for fuel melting effects. The metallic fuel meshing capability was also upgraded to allow local refinement using unstructured triangular mesh. Based on the previous success in developing the BISON-FIPD integration powered BISON assessment case, this database enabled BISON evaluation and V&V capability was expanded to the out-of-pile transient experiments by introducing BISON-OPTD integration. A series of initial out-of-pile transient assessment cases were implemented into BISON to provide powerful platforms to evaluate current BISON’s capabilities in simulating metallic fuel performance during out-of-pile transients. The established capabilities will also benefit the calibration and V&V of future advanced mechanistic models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An implicit-in-time DPG formulation of the 1D1V Vlasov-Poisson equations

Efficient solution of the Vlasov equation, which can be up to six-dimensional, is key to the simulation of many difficult problems in plasma physics. The discontinuous Petrov-Galerkin (DPG) finite element methodology provides a framework for the development of stable (in the sense of Ladyzhenskaya–Babuška–Brezzi conditions) finite element formulations, with built-in mechanisms for adaptivity. While DPG has been studied extensively in the context of steady-state problems and to a lesser extent with space-time discretizations of transient problems, relatively little attention has been paid to time-marching approaches. In the present work, we study a first application of time-marching DPG to the Vlasov equation, using backward Euler for a Vlasov-Poisson discretization. We demonstrate adaptive mesh refinement for two problems: the two-stream instability problem, and a cold diode problem. Furthermore, we believe the present work is novel both in its application of unstructured adaptive mesh refinement (as opposed to block-structured adaptivity, which has been studied previously) in the context of Vlasov-Poisson, as well as in its application of DPG to the Vlasov-Poisson system. We also discuss extensive additions to the Camellia library in support of both the present formulation as well as extensions to higher dimensions, Maxwell equations, and space-time formulations.

97 MATHEMATICS AND COMPUTING↗

Gaussian integral method for void fraction

Here, a novel method, the Gaussian Integral Method (GIM), is presented for calculating void fractions in Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) simulations. GIM is versatile and applicable to various grid types, including structured and unstructured polyhedral meshes, without requiring special boundary treatments. An optimization technique is introduced to make GIM independent of grid resolution and type. The method is validated against experimental data from a fluidized bed, demonstrating that GIM produces realistic simulations closely resembling experimental observations. Additionally, unstructured polyhedral grids using GIM outperform structured grids of equivalent resolution, yielding results more aligned with experimental data. The gradient of the void fraction is computed in the CFD solver and utilized in the DEM solver for precise estimation at particle locations. Overall, GIM provides an effective solution for void fraction calculations in particulate media simulations with complex geometries, enhancing the accuracy and applicability of CFD-DEM simulations for industrial processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An unstructured body-of-revolution electromagnetic particle-in-cell algorithm with radial perfectly matched layers and dual polarizations

A novel electromagnetic particle-in-cell algorithm has been developed for fully kinetic plasma simulations on unstructured (irregular) meshes in complex body-of-revolution geometries. The algorithm, implemented in the BORPIC++ code, utilizes a set of field scalings and a coordinate mapping, reducing the Maxwell field problem in a cylindrical system to a Cartesian finite element Maxwell solver in the meridian plane. The latter obviates the cylindrical coordinate singularity in the symmetry axis. The choice of an unstructured finite element discretization enhances the geometrical flexibility of the BORPIC++ solver compared to the more traditional finite difference solvers. Symmetries in Maxwell’s equations are explored to decompose the problem into two dual polarization states with isomorphic representations that enable code reuse. The particle-in-cell scatter and gather steps preserve charge conservation at the discrete level. Our previous algorithm (BORPIC+) discretized the E and B field components of TE Φ and TM Φ polarizations on the finite element (primal) mesh. Here, we employ a new field-update scheme. Using the same finite element (primal) mesh, this scheme advances two sets of field components independently: (1) E and B of TE Φ polarized fields, (E z , E ρ , B Φ ) and (2) D and H of TM Φ polarized fields, (D Φ , H z , H ρ ). Since these field updates are not explicitly coupled, the new field solver obviates the coordinate singularity, which otherwise arises at the cylindrical symmetric axis, ρ = 0 when defining the discrete Hodge matrices (generalized finite element mass matrices). Here, a cylindrical perfectly matched layer is implemented as a boundary condition in the radial direction to simulate open space problems, with periodic boundary conditions in the axial direction. We investigate effects of charged particles moving next to the cylindrical perfectly matched layer. We model azimuthal currents arising from rotational motion of charged rings, which produce TMΦ polarized fields. Several numerical examples are provided to illustrate the first application of the algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An efficient second-order adaptive procedure for inserting CAD geometries into hexahedral meshes using volume fractions

Here, this paper is concerned with inserting three-dimensional computer-aided design (CAD) geometries into meshes composed of hexahedral elements using a volume fraction representation. An adaptive procedure for doing so is presented. The procedure consists of two steps. The first step performs spatial acceleration using a k-d tree. The second step involves subdividing individual hexahedra in an adaptive mesh refinement (AMR)-like fashion and approximating the CAD geometry linearly (as a plane) at the finest subdivision. The procedure requires only two geometric queries from a CAD kernel: determining whether or not a queried spatial coordinate is inside or outside the CAD geometry and determining the closest point on the CAD geometry’s surface from a given spatial coordinate. We prove that the procedure is second-order accurate for sufficiently smooth geometries and sufficiently refined background meshes. We demonstrate the expected order of accuracy is achieved with several verification tests and illustrate the procedure’s effectiveness for several exemplar CAD geometries.

Adaptive↗

Efficient exascale discretizations: High-order finite element methods

Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of floating point operations to energy intensive data movement. One of the few viable approaches to achieve high efficiency in the area of PDE discretizations on unstructured grids is to use matrix-free/partially assembled high-order finite element methods, since these methods can increase the accuracy and/or lower the computational time due to reduced data motion. In this paper we provide an overview of the research and development activities in the Center for Efficient Exascale Discretizations (CEED), a co-design center in the Exascale Computing Project that is focused on the development of next-generation discretization software and algorithms to enable a wide range of finite element applications to run efficiently on future hardware. CEED is a research partnership involving more than 30 computational scientists from two US national labs and five universities, including members of the Nek5000, MFEM, MAGMA and PETSc projects. We discuss the CEED co-design activities based on targeted benchmarks, miniapps and discretization libraries and our work on performance optimizations for large-scale GPU architectures. We also provide a broad overview of research and development activities in areas such as unstructured adaptive mesh refinement algorithms, matrix-free linear solvers, high-order data visualization, and list examples of collaborations with several ECP and external applications.

97 MATHEMATICS AND COMPUTING↗

Massively parallel transport sweeps on meshes with cyclic dependencies

When solving the first-order form of the linear Boltzmann equation, a common misconception is that the matrix-free computational method of “sweeping the mesh”, used in conjunction with the Discrete Ordinates method, is too complex or does not scale well enough to be implemented in modern high performance computing codes. This has led to considerable efforts in the development of matrix-based methods that are computationally expensive and is partly driven by the requirements placed on modern spatial discretizations. In particular, modern transport codes are required to support higher order elements, a concept that invariably adds a lot of complexity to sweeps because of the introduction of cyclic dependencies with curved mesh cells. In this article we will present a comprehensive implementation of sweeping, to a piecewise-linear DFEM spatial discretization with particular focus on handling cyclic dependencies and possible extensions to higher order spatial discretizations. We find that these methods are implemented in a new C++ simulation framework called Chi-Tech (). We present some typical simulation results with some performance aspects that one can expect during real world simulations, we also present a scaling study to >100k processes where Chi-Tech maintains greater than 80% efficiency solving a total of 87.7 trillion angular flux unknowns for a 116 group simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gyrokinetic electromagnetic particle simulations in triangular meshes with C1 finite elements

The triangular mesh-based gyrokinetic scheme enables comprehensive axis-to-edge studies across the entire plasma volume. Our approach employs triangular finite elements with first-derivative continuity (C1), building on previous work to facilitate gyrokinetic simulations. Additionally, we have adopted the mixed variable/pullback scheme for gyrokinetic electromagnetic particle simulations. The filter-free treatment in the poloidal cross-section with triangular meshes introduces unique features and challenges compared to previous treatments using structured meshes. Our implementation has been validated through benchmarks using ITPA-toroidicity-induced Alfvén eigenmode parameters, showing its capability in moderate to small electron skin depth regimes. Additional examinations using experimental parameters confirm its applicability to realistic plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Non-perturbative Approach to Computing Seismic Normal Modes in Rotating Planets

In this work, a continuous Galerkin method based approach is presented to compute the seismic normal modes of rotating planets. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core using a polynomial filtering eigensolver. The relevant elastic-gravitational system of equations, including the Coriolis force, is subjected to a mixed finite-element method, while self-gravitation is accounted for with the fast multipole method. Our discretization utilizes fully unstructured tetrahedral meshes for both solid and fluid regions. The relevant eigenvalue problem is solved by a combination of several highly parallel and computationally efficient methods. We validate our three-dimensional results in the non-rotating case using analytical results for constant elastic balls, as well as numerical results for an isotropic Earth model from standard “radial” algorithms. We also validate the computations in the rotating case, but only in the slowly-rotating regime where perturbation theory applies, because no other independent algorithms are available in the general case. The algorithm and code are used to compute the point spectra of eigenfrequencies in several Earth and Mars models studying the effects of heterogeneity on a large range of scales.

58 GEOSCIENCES↗