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Malachi Phillips

Publications and source records attributed to Malachi Phillips.

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Multi-physics Preconditioning for Thermally Activated Batteries

Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on multiphysics modeling to evaluate performance and behavior under various conditions. This paper presents advancements in scalable preconditioning strategies for the Thermally Activated Battery Simulator (TABS) tool, enabling efficient solutions to the coupled electrochemical systems that dominate computational costs in thermal battery simulations. We propose a hierarchical block Gauss-Seidel preconditioner implemented through the Teko package in Trilinos, which effectively addresses the challenges posed by tightly coupled physics, including charge transport, porous flow, and species diffusion. The preconditioner leverages scalable subblock solvers, including smoothed aggregation algebraic multigrid (SA-AMG) methods and domain-decomposition techniques, to achieve robust convergence and parallel scalability. Strong and weak scaling studies demonstrate the solver's ability to handle problem sizes up to 51.3 million degrees of freedom on 2048 processors, achieving near sub-second setup and solve times for the end-to-end electrochemical solve. These advancements significantly improve the computational efficiency and turnaround time of thermal battery simulations, paving the way for higher-resolution models and enabling the transition from 2D axisymmetric to full 3D simulations.

math.NA

Smoothed aggregation algebraic multigrid for problems with heterogeneous and anisotropic materials

This paper introduces a material-aware strength-of-connection measure for smoothed aggregation algebraic multigrid methods, aimed at improving robustness for scalar partial differential equations with heterogeneous and anisotropic material properties. Classical strength-of-connection measures typically rely only on matrix entries or geometric distances, which often fail to capture weak couplings across material interfaces or align with anisotropy directions, ultimately leading to poor convergence. The proposed approach directly incorporates material tensor information into the coarsening process, enabling a reliable detection of weak connections and ensuring that coarse levels preserve the true structure of the underlying problem. As a result, smooth error components are represented properly and sharp coefficient jumps or directional anisotropies are handled consistently. A wide range of academic tests and real-world applications, including thermally activated batteries and solar cells, demonstrate that the proposed method maintains robustness across material contrasts, anisotropies, and mesh variations. Scalability and parallel performance of the algebraic multigrid method highlight the suitability for large-scale, high-performance computing environments.

cs.CE

Optimal Chebyshev Smoothers and One-sided V-cycles

The solution to the Poisson equation arising from the spectral element discretization of the incompressible Navier-Stokes equation requires robust preconditioning strategies. One such strategy is multigrid. To realize the potential of multigrid methods, effective smoothing strategies are needed. Chebyshev polynomial smoothing proves to be an effective smoother. However, there are several improvements to be made, especially at the cost of symmetry. For the same cost per iteration, a full V-cycle with $k$ order Chebyshev polynomial smoothing may be substituted with a half V-cycle with order $2k$ Chebyshev polynomial smoothing, wherein the smoother is omitted on the up-leg of the V-cycle. The choice of omitting the post-smoother in favor of higher order Chebyshev pre-smoothing is shown to be advantageous in cases where the multigrid approximation property constant, $C$, is large. Results utilizing Lottes's fourth-kind Chebyshev polynomial smoother are shown. These methods demonstrate substantial improvement over the standard Chebyshev polynomial smoother. The authors demonstrate the effectiveness of this scheme in $p$-geometric multigrid, as well as a 2D model problem with finite differences.

math.NA

Tuning Spectral Element Preconditioners for Parallel Scalability on GPUs

The Poisson pressure solve resulting from the spectral element discretization of the incompressible Navier-Stokes equation requires fast, robust, and scalable preconditioning. In the current work, a parallel scaling study of Chebyshev-accelerated Schwarz and Jacobi preconditioning schemes is presented, with special focus on GPU architectures, such as OLCF's Summit. Convergence properties of the Chebyshev-accelerated schemes are compared with alternative methods, such as low-order preconditioners combined with algebraic multigrid. Performance and scalability results are presented for a variety of preconditioner and solver settings. The authors demonstrate that Chebyshev-accelerated-Schwarz methods provide a robust and effective smoothing strategy when using $p$-multigrid as a preconditioner in a Krylov-subspace projector. The variety of cases to be addressed, on a wide range of processor counts, suggests that performance can be enhanced by automated run-time selection of the preconditioner and associated parameters.

math.NA

Highly Optimized Full-Core Reactor Simulations on Summit

Nek5000/RS is a highly-performant open-source spectral element code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on high-order discretizations that realize the same (or lower) cost per gridpoint as traditional low-order methods. State-of-the-art multilevel preconditioners, efficient high-order time-splitting methods, and runtime-adaptive communication strategies are built on a fast OCCA-based kernel library, libParanumal, to provide scalability and portability across the spectrum of current and future high-performance computing platforms. On Summit, Nek5000/RS has recently achieved an milestone in the simulation of nuclear reactors: the first full-core computational fluid dynamics simulations of reactor cores, including pebble beds with > 350,000 pebbles and 98M elements advanced in less than 0.25 seconds per Navier-Stokes timestep. With carefully tuned algorithms, it is possible to simulate a single flow-through time for a full reactor core in less than six hours on all of Summit.

physics.comp-ph

GPU Algorithms for Efficient Exascale Discretizations

In this paper we describe the research and development activities in the Center for Efficient Exascale Discretization within the US Exascale Computing Project, targeting state-of-the-art high-order finite-element algorithms for high-order applications on GPU-accelerated platforms. We discuss the GPU developments in several components of the CEED software stack, including the libCEED, MAGMA, MFEM, libParanumal, and Nek projects. We report performance and capability improvements in several CEED-enabled applications on both NVIDIA and AMD GPU systems.

cs.DC

NekRS, a GPU-Accelerated Spectral Element Navier-Stokes Solver

The development of NekRS, a GPU-oriented thermal-fluids simulation code based on the spectral element method (SEM) is described. For performance portability, the code is based on the open concurrent compute abstraction and leverages scalable developments in the SEM code Nek5000 and in libParanumal, which is a library of high-performance kernels for high-order discretizations and PDE-based miniapps. Critical performance sections of the Navier-Stokes time advancement are addressed. Performance results on several platforms are presented, including scaling to 27,648 V100s on OLCF Summit, for calculations of up to 60B gridpoints.

cs.PF