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At least 1,171 records · Page 65

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A new procedure for dynamic adaption of three-dimensional unstructured grids

A new procedure is presented for the simultaneous coarsening and refinement of three-dimensional unstructured tetrahedral meshes. This algorithm allows for localized grid adaption that is used to capture aerodynamic flow features such as vortices and shock waves in helicopter flowfield simulations. The mesh-adaption algorithm is implemented in the C programming language and uses a data structure consisting of a series of dynamically-allocated linked lists. These lists allow the mesh connectivity to be rapidly reconstructed when individual mesh points are added and/or deleted. The algorithm allows the mesh to change in an anisotropic manner in order to efficiently resolve directional flow features. The procedure has been successfully implemented on a single processor of a Cray Y-MP computer. Two sample cases are presented involving three-dimensional transonic flow. Computed results show good agreement with conventional structured-grid solutions for the Euler equations.

Biswas, Rupak↗

A structured and unstructured remeshing method for high speed flows

An adaptive remeshing method using both triangular and quadrilateral elements suitable for high speed flows is presented. For inviscid flows the method generates completely unstructured meshes. For viscous flows the boundary layer edge is identified adaptively and a structured mesh is generated in the boundary layer, and an unstructured mesh is generated in the inviscid region. Examples of inviscid and viscous mesh adaptations for high speed flows are presented. A comparison is made between first order and higher order finite element algorithms when used in association with the remeshing method.

Vemaganti, Gururaja R.↗

Analysis of Hydrocyclone Geometry via Rapid Optimization Based on Computational Fluid Dynamics

Abstract Hydrocyclones exploit density gradients for the centrifugal separation of dispersions in a continuous liquid. Selection of the geometrics for optimal separation is case specific, like the media characteristics. The existing optimization method based on computational fluid dynamics (CFD) provides a powerful analytical tool but requires long computational times. The most common praxis for CFD optimization is via the single‐factor optimization method (SFOM). In this study, a novel approach is presented as an improved rapid optimization method that implements a dynamic‐mesh and user‐defined function optimization method (DUOM). The DUOM adapts the dynamic‐mesh approach from other applications to the optimization analysis of hydrocyclones. The DUOM reduced the computational time by 31.1 %, compared to the SFOM.

Liu, Lin↗

An improved random walk algorithm for the implicit Monte Carlo method

In this work, we introduce a modified Implicit Monte Carlo (IMC) Random Walk (RW) algorithm, which increases simulation efficiency for multigroup radiative transfer problems with strongly frequency-dependent opacities. To date, the RW method has only been implemented in “fully-gray” form; that is, the multigroup IMC opacities are group-collapsed over the full frequency domain of the problem to obtain a gray diffusion problem for RW. This formulation works well for problems with large spatial cells and/or opacities that are weakly dependent on frequency; however, the efficiency of the RW method degrades when the spatial cells are thin or the opacities are a strong function of frequency. To address this inefficiency, we introduce a RW frequency group cutoff in each spatial cell, which divides the frequency domain into optically thick and optically thin components. In the modified algorithm, opacities for the RW diffusion problem are obtained by group-collapsing IMC opacities below the frequency group cutoff. Particles with frequencies above the cutoff are transported via standard IMC, while particles below the cutoff are eligible for RW. This greatly increases the total number of RW steps taken per IMC time-step, which in turn improves the efficiency of the simulation. We refer to this new method as Partially-Gray Random Walk (PGRW). We present numerical results for several multigroup radiative transfer problems, which show that the PGRW method is significantly more efficient than standard RW for several problems of interest. In general, PGRW decreases runtimes by a factor of ∼2–4 compared to standard RW, and a factor of ∼3–6 compared to standard IMC. While PGRW is slower than frequency-dependent Discrete Diffusion Monte Carlo (DDMC), it is also easier to adapt to unstructured meshes and can be used in spatial cells where DDMC is not applicable. This suggests that it may be optimal to employ both DDMC and PGRW in a single simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Progress in the Simulation of Steady and Time-Dependent Flows with 3D Parallel Unstructured Cartesian Methods

The proposed paper will present recent extensions in the development of an efficient Euler solver for adaptively-refined Cartesian meshes with embedded boundaries. The paper will focus on extensions of the basic method to include solution adaptation, time-dependent flow simulation, and arbitrary rigid domain motion. The parallel multilevel method makes use of on-the-fly parallel domain decomposition to achieve extremely good scalability on large numbers of processors, and is coupled with an automatic coarse mesh generation algorithm for efficient processing by a multigrid smoother. Numerical results are presented demonstrating parallel speed-ups of up to 435 on 512 processors. Solution-based adaptation may be keyed off truncation error estimates using tau-extrapolation or a variety of feature detection based refinement parameters. The multigrid method is extended to for time-dependent flows through the use of a dual-time approach. The extension to rigid domain motion uses an Arbitrary Lagrangian-Eulerlarian (ALE) formulation, and results will be presented for a variety of two- and three-dimensional example problems with both simple and complex geometry.

Aftosmis, M. J.↗

Target Formulation and Construction in Mesh Quality Improvement

In the Target-matrix Optimization Paradigm (TMOP), it’s long been understood that one must create a set of target matrices before the mesh can be optimized. But there is still no general method to create correct, effective targets in response to a specific mesh quality improvement goal. The TMOP literature describes how certain sets of target matrices can be used to control the shape or size of mesh elements, but those examples address only a fraction of the problems that can occur in mesh quality improvement and were not derived from a general framework for target matrix construction. In this work, a general method of target construction is introduced based on an independent set of geometric parameters which are intrinsic to the Jacobian matrices upon which TMOP is based. The parameters enable a systematic approach to target definition and construction. The approach entails two parts. The first part defines correspondences between available raw data (stuff about the mesh and/or the physical solution) and intermediate data (e.g., a field of error estimates). Once the correspondences are established, the raw data is processed into intermediate field data existing on mesh sample points. The second part is to create a model that represents the values of the geometric target parameters as functions of the intermediate data. The model is then tested numerically to establish model constants and effectiveness. This systematic approach to target construction is illustrated in a set of examples to show how it can be applied to common problems in mesh optimization such as equidistribution of geometric properties, preservation of existing good quality, and adaptation of the mesh to the solution. The result is a systematic method of target construction for TMOP which can be applied to a wide variety of planar and volume mesh quality improvement tasks.

97 MATHEMATICS AND COMPUTING↗

Mesh refinement for anisotropic diffusion in magnetized plasmas

Highly accurate simulation of plasma transport is needed to drive the successful design and operation of magnetically confined fusion reactors. Unfortunately, the extreme anisotropy present in magnetized plasmas results in thin boundary layers that are expensive to resolve. Here, this work investigates how various mesh refinement strategies might reduce that expense to allow for more efficient simulation by comparing standard variable refinement approaches that use a field quantity to an adaptive approach that uses an error estimator. It is first verified that higher order discretization only realizes the proper rate of convergence once the mesh resolves the thin boundary layer, therefore motivating the focusing of refinement on the boundary layer. For three two-dimensional test cases that contain characteristic features of tokamak magnetic fields, an exponential refinement strategy based on the magnetic flux function, which is the standard refinement approach in the field, is compared to an adaptive strategy utilizing the established Zienwiekicz and Zhu error estimator. The adaptive mesh refinement strategy consistently achieves the same accuracy using orders of magnitude less degrees of freedom than either exponential or uniform refinement. This result makes the adaptive refinement strategy more efficient than the exponential refinement strategy while also being more generalizable to problems with complex magnetic geometries. Scaling laws are derived that quantify the improvement in cost of the adaptive refinement strategy over other refinement approaches in 2D and 3D.

97 MATHEMATICS AND COMPUTING↗

An accuracy assessment of Cartesian-mesh approaches for the Euler equations

A critical assessment of the accuracy of Cartesian-mesh approaches for steady, transonic solutions of the Euler equations of gas dynamics is made. An exact solution of the Euler equations (Ringleb's flow) is used not only to infer the order of the truncation error of the Cartesian-mesh approaches, but also to compare the magnitude of the discrete error directly to that obtained with a structured mesh approach. Uniformly and adaptively refined solutions using a Cartesian-mesh approach are obtained and compared to each other and to uniformly refined structured mesh results. The effect of cell merging is investigated as well as the use of two different K-exact reconstruction procedures. The solution methodology of the schemes is explained and tabulated results are presented to compare the solution accuracies.

Coirier, William J.↗

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of new models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.

36 MATERIALS SCIENCE↗

PDE-constrained high-order mesh optimization

Here, we present a novel framework for PDE-constrained r-adaptivity of high-order meshes. The proposed method formulates mesh movement as an optimization problem, with an objective function defined as a convex combination of a mesh quality metric and a measure of the accuracy of the PDE solution obtained via finite element discretization. The proposed formulation achieves optimized, well-defined high-order meshes by integrating mesh quality control, PDE solution accuracy, and robust gradient regularization. We adopt the Target-Matrix Optimization Paradigm to control geometric properties across the mesh, independent of the PDE of interest. To incorporate the accuracy of the PDE solution, we introduce error measures that control the finite element discretization error. The implicit dependence of these error measures on the mesh nodal positions is accurately captured by adjoint sensitivity analysis. Additionally, a convolution-based gradient regularization strategy is used to ensure stable and effective adaptation of high-order meshes. We demonstrate that the proposed framework can improve mesh quality and reduce the error by up to 10 times for the solution of Poisson and linear elasto-static problems. The approach is general with respect to the dimensionality, the order of the mesh, the types of mesh elements, and can be applied to any PDE that admits well-defined adjoint operators.

Computer science↗

Adaptive Multilinear Tensor Product Wavelets

Many foundational visualization techniques including isosurfacing, direct volume rendering and texture mapping rely on piecewise multilinear interpolation over the cells of a mesh. However, there has not been much focus within the visualization community on techniques that efficiently generate and encode globally continuous functions defined by the union of multilinear cells. Wavelets provide a rich context for analyzing and processing complicated datasets. In this paper, we exploit adaptive regular refinement as a means of representing and evaluating functions described by a subset of their nonzero wavelet coefficients. We analyze the dependencies involved in the wavelet transform and describe how to generate and represent the coarsest adaptive mesh with nodal function values such that the inverse wavelet transform is exactly reproduced via simple interpolation (subdivision) over the mesh elements. This allows for an adaptive, sparse representation of the function with on-demand evaluation at any point in the domain. In conclusion, we focus on the popular wavelets formed by tensor products of linear B-splines, resulting in an adaptive, nonconforming but crack-free quadtree (2D) or octree (3D) mesh that allows reproducing globally continuous functions via multilinear interpolation over its cells.

97 MATHEMATICS AND COMPUTING↗

An adaptive finite element scheme for the Euler and Navier-Stokes equations

The implementation of two explicit finite element schemes for the solution of the compressible Euler and Navier-Stokes equations is presented. The schemes can be employed with general unstructured triangular meshes in two dimensions. Either scheme can therefore be used as the basic solver in a solution adaptive mesh procedure in a direct manner. The particular adaptive approach which is advocated here is intended for the solution of steady state problems only and involves an adaptive regeneration of the grid at prescribed stages during the false transient. The grid regeneration is accomplished by a mesh generator which has the capability of generating triangular grids over computational domains of arbitrary shape. The procedure is illustrated by solving transonic flows over multi-airfoil configurations and high speed flows, involving shock interactions, past circular cylinders.

Morgan, K.↗

Compact feature-aware Hermite-style high-order surface reconstruction

High-order surface reconstruction is now a commonly used technique for mesh generation and adaptation, geometric and physical modeling, and high-order numerical methods for solving partial differential equations (PDEs). However, surface reconstruction from a relatively coarse mesh remained a challenging problem, especially for surfaces with sharp features. Here in this paper, we introduce a new method to address this challenge by improving the previous state of the art, including continuous moving frames (CMF) and weighted averaging of local fittings (WALF) (Eng Comput 28 (2012)), in two aspects. First, we significantly improve the robustness of reconstruction from coarse meshes using a Hermite-style least squares approximation to incorporate normals of the surface and tangents of the feature curves. Second, we ensure both G 0 continuity and high-order accuracy of the reconstruction near sharp features by generating parametric surface elements with an iterative feature-aware parameterization. We present the theoretical framework of our method and compare it against point-based methods in terms of accuracy and stability. We demonstrate the use of the proposed technique in generating high-order meshes for finite element methods, and show that it enables nearly identical solutions as using the meshes generated from exact geometry, while allowing additional flexibility.

42 ENGINEERING↗

Unstructured viscous flow solution using adaptive hybrid grids

A three dimensional finite volume scheme based on hybrid grids containing both tetrahedral and hexahedral cells is presented. The application to hybrid grids offers the possibility to combine the flexibility of tetrahedral meshes with the accuracy of hexahedral grids. An algorithm to compute a dual mesh for the entire computational domain was developed. The dual mesh technique guarantees conservation in the whole flow field even at interfaces between hexahedral and tetrahedral domains and enables the employment of an accurate upwind flow solver. The hybrid mesh can be adapted to the solution by dividing cells in areas of insufficient resolution. The method is tested on different viscous and inviscid cases for hypersonic, transonic and subsonic flows.

Galle, Martin↗

HiPACE++ v0.1

Hipace++ is the new implementation of the DESY-LBNL code Hipace (not distributed nor licensed) for plasma acceleration, relying on the quasi-static particle-in-cell (PIC) method, enabling fast and accurate simulations of plasma accelerators for problems satisfying the quasi-static approximation. Plasma acceleration is a priority in the ATAP division, and such problems represent a wide range of parameters. Hipace++ is an HPC (high-performance computing) code running on supercomputers and it provides the first efficient implementation of the quasi-static PIC method on Graphic Processing Units (GPU), showing 10x speedup and using much less resources than CPU implementations for production simulations. It currently runs on Nvidia GPUs and will ultimately be portable to more accelerated HPC platforms. The porting strategy is novel, and can be adapted to other flavors of quasi-static PIC. Besides, Hipace++ aims at using mesh refinement for higher efficiency, thus enabling simulations unfeasible today. For this purpose, Hipace++ depends on the open-source library AMReX (Adaptive Mesh Refinement at EXascale) developed at LBNL.

Vay, Jean-Luc↗

Moving and adaptive grid methods for compressible flows

This paper describes adaptive grid methods developed specifically for compressible flow computations. The basic flow solver is a finite-volume implementation of Roe's flux difference splitting scheme or arbitrarily moving unstructured triangular meshes. The grid adaptation is performed according to geometric and flow requirements. Some results are included to illustrate the potential of the methodology.

Trepanier, Jean-Yves↗