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At least 433 records · Page 24

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor↗

Simulation of discrete cracks driven by nearly incompressible fluid via 2D combined finite-discrete element method

Here, we propose a novel hydraulic solver in order to simulate key mechanisms that control fluid-driven cracks in the framework of the combined finite-discrete element method (FDEM). The main innovative aspect of the present work is the independence of the fluid's critical time step size with the fracture opening. This advantage is extremely important because it means that very fine meshes can be used around areas of interest, such as boreholes, without penalizing the computational cost as fractures propagate (ie, open) and the fluid flows through them. This is a great advantage over other recently introduced approaches that exhibit a dependency of the time step in the form of Δt crit ∝ (l/a) 2 where l is the element size and a is the fracture aperture. This paper presents a series of benchmark cases for the proposed solver. The rationale adopted by the authors was to benchmark and validate the implementation of the hydraulic solver in an incremental fashion, starting from the simplest cases and building in complexity. The calculations shown in this work clearly demonstrate that the proposed approach is able to reproduce analytical results for fluid flow through a single crack. The results presented in this paper also demonstrate that the new approach is robust enough to deal with complex fracture patterns and complex geometries; the obtained fluid-driven fracture patterns in the vicinity of a borehole certainly stand to the scrutiny of human visual perception.

58 GEOSCIENCES↗

Physics–Informed Neural Networks of the Saint–Venant Equations for Downscaling a Large–Scale River Model

Large-scale river models are being refined over coastal regions to improve the scientific understanding of coastal processes, hazards and responses to climate change. However, coarse mesh resolutions and approximations in physical representations of tidal rivers limit the performance of such models at resolving the complex flow dynamics near the river-ocean interface, resulting in inaccurate simulations of flood inundation. In this research, we propose a machine learning (ML) framework based on the state-of-the-art physics-informed neural network (PINN) to simulate the downscaled flow at the subgrid scale. First, we demonstrate that PINN is able to assimilate observations of various types and solve the one-dimensional (1-D) Saint-Venant equations (SVE) directly. We perform the flow simulations over a floodplain and along an open channel in several synthetic case studies. The PINN performance is evaluated against analytical solutions and numerical models. Our results indicate that the PINN solutions of water depth have satisfactory accuracy with limited observations assimilated. In the case of flood wave propagation induced by storm surge and tide, a new neural network architecture is proposed based on Fourier feature embeddings that seamlessly encodes the periodic tidal boundary condition in the PINN's formulation. Furthermore, we show that the PINN-based downscaling can produce more reasonable subgrid solutions of the along-channel water depth by assimilating observational data. The PINN solution outperforms the simple linear interpolation in resolving the topography and dynamic flow regimes at the subgrid scale. This study provides a promising path towards improving emulation capabilities in large-scale models to characterize fine-scale coastal processes.

54 ENVIRONMENTAL SCIENCES↗

Analysis of the uncertainties in the physical calculations of water-moderated power reactors of the VVER type by the parameters of models of preparing few-group constants

The article covers the uncertainty analysis of the physical calculations of the VVER reactor core for different meshes of the reference values of the feedback parameters (FBP). Various numbers of nodes of the parametric axes of FBPs and different ranges between them are investigated. The uncertainties of the dynamic calculations are analyzed using RTS RCCA ejection as an example within the framework of the model with the boundary conditions at the core inlet and outlet.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Fast Solution of Fully Implicit Runge--Kutta and Discontinuous Galerkin in Time for Numerical PDEs, Part I: the Linear Setting

Fully implicit Runge--Kutta (IRK) methods have many desirable properties as time integration schemes in terms of accuracy and stability, but high-order IRK methods are not commonly used in practice with numerical PDEs due to the difficulty of solving the stage equations. This paper introduces a theoretical and algorithmic preconditioning framework for solving the systems of equations that arise from IRK methods applied to linear numerical PDEs (without algebraic constraints). Additionally, this framework also naturally applies to discontinuous Galerkin discretizations in time. Under quite general assumptions on the spatial discretization that yield stable time integration, the preconditioned operator is proven to have condition number bounded by a small, order-one constant, independent of the spatial mesh and time-step size, and with only weak dependence on number of stages/polynomial order; for example, the preconditioned operator for 10th-order Gauss IRK has condition number less than two, independent of the spatial discretization and time step. The new method can be used with arbitrary existing preconditioners for backward Euler-type time-stepping schemes and is amenable to the use of three-term recursion Krylov methods when the underlying spatial discretization is symmetric. The new method is demonstrated to be effective on various high-order finite-difference and finite element discretizations of linear parabolic and hyperbolic problems, demonstrating fast, scalable solution of up to 10th-order accuracy. The new method consistently outperforms existing block preconditioning approaches, and in several cases, the new method can achieve 4th-order accuracy using Gauss integration with roughly half the number of preconditioner applications and wallclock time as required using standard diagonally IRK methods.

97 MATHEMATICS AND COMPUTING↗

A Finite Element Method for Compressible and Turbulent Multiphase Flow Instabilities with Heat Transfer

We present a new finite element framework for modeling compressible, turbulent multiphase flows with heat transfer. For two-fluid systems with a free surface, the Volume of Fluid (VOF) method is implemented without the need for interface reconstruction, while turbulence is resolved using a dynamic Vreman large eddy simulation (LES) model. Unlike most two-phase VOF studies, which neglect heat transfer, the present approach incorporates energy transport equations within the VOF formulation to account for heat exchange, an effect particularly important in turbulent flows. Conjugate heat transfer is often challenging in finite volume methods, which require explicit specification of heat fluxes at the solid–fluid interface, limiting accuracy and predictive capability. By contrast, the finite element formulation does not require heat flux inputs, allowing more accurate and robust simulation of heat transfer between solids and fluids. The method is demonstrated through three representative cases. First, a two-fluid instability with a single-mode perturbation is simulated and validated against analytical growth rates. Second, conjugate heat transfer is examined in a high-temperature flow over a cold metal cylinder, with validation performed both quantitatively—via pressure coefficient comparisons with experimental data—and qualitatively using vector field topology. Finally, compressible spray injection and breakup are modeled, demonstrating the ability of the framework to capture interfacial dynamics and atomization under turbulent, high-speed conditions. In the compressible spray injection and breakup case, the results indicate that the finite element formulation achieved higher predictive accuracy and robustness than the finite-volume method. With the same mesh resolution, the FEM reduced the root mean square error (RMSE) and mean absolute percentage error (MAPE) from 6.96 mm and 26.0% (for the FVM) to 4.85 mm and 12.7%, respectively, demonstrating improved accuracy and robustness in capturing interfacial dynamics and heat transfer. The study also introduced vector field topology to visualize and interpret coherent flow structures and instabilities, offering insights beyond conventional scalar-field analyses.

97 MATHEMATICS AND COMPUTING↗

A linear aerodynamic analysis for unsteady transonic cascades

A potential flow analysis to predict unsteady airloads produced by the vibrations of turbomachinery blades operating at transonic Mach numbers is presented. The unsteady aerodynamic model includes the effects of blade geometry, finite mean pressure variation across the blade row, high frequency blade motion, and shock motion within the framework of a linearized, frequency domain formulation. The unsteady equations are solved implicit, least squares, finite difference approximation which is applicable on arbitrary grids. A numerical solution for the entire unsteady field is determined by matching a solution determined on a rectilinear type cascade mesh, which covers an extended blade passage region, to a solution determined on a detailed polar type local mesh, which covers and extends well beyond the supersonic region(s) adjacent to a blade surface. Cascades of double circular arc and flat plate blades demonstrate the unsteady analysis, and partially illustrate the effects of blade geometry, inlet Mach number, blade vibration frequency and shock motion on unsteady response.

Verdon, J. M.↗

A Posteriori Error Estimation for Finite Volume and Finite Element Approximations Using Broken Space Approximation

We consider a posteriori error estimates for finite volume and finite element methods on arbitrary meshes subject to prescribed error functionals. Error estimates of this type are useful in a number of computational settings: (1) quantitative prediction of the numerical solution error, (2) adaptive meshing, and (3) load balancing of work on parallel computing architectures. Our analysis recasts the class of Godunov finite volumes schemes as a particular form of discontinuous Galerkin method utilizing broken space approximation obtained via reconstruction of cell-averaged data. In this general framework, weighted residual error bounds are readily obtained using duality arguments and Galerkin orthogonality. Additional consideration is given to issues such as nonlinearity, efficiency, and the relationship to other existing methods. Numerical examples are given throughout the talk to demonstrate the sharpness of the estimates and efficiency of the techniques. Additional information is contained in the original.

Barth, Timothy J.↗

Latent space dynamics identification for interface tracking with application to shock-induced pore collapse

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. Here, we propose LaSDI-IT (Latent Space Dynamics Identification for Interface Tracking), a data-driven framework that combines low-dimensional latent dynamics learning with explicit interface-aware encoding to enable accurate and efficient modeling of physical systems involving moving material boundaries. At the core of LaSDI-IT is a revised autoencoder architecture that jointly reconstructs the physical field and an indicator function representing material regions or phases, allowing the model to track complex interface evolution without requiring detailed physical models or mesh adaptation. The latent dynamics are learned through linear regression in the encoded space and generalized across parameter regimes using Gaussian process interpolation with greedy sampling. We demonstrate LaSDI-IT on the problem of shock-induced pore collapse in high explosives, a process characterized by sharp temperature gradients and dynamically deforming pore geometries. The method achieves relative prediction errors below 9% across the parameter space, accurately recovers key quantities of interest such as pore area and hot spot formation, and matches the performance of dense training with only half the data. This latent dynamics prediction was 10 6 times faster than the conventional high-fidelity simulation, proving its utility for multi-query applications. These results highlight LaSDI-IT as a general, data-efficient framework for modeling discontinuity-rich systems in computational physics, with potential applications in multiphase flows, fracture mechanics, and phase change problems.

Gaussian process↗

Discontinuous Galerkin gradient discretisations for the approximation of second-order differential operators in divergence form

We include in the gradient discretisation method (GDM) framework two numerical schemes based on discontinuous Galerkin approximations: the symmetric interior penalty Galerkin (SIPG) method, and the scheme obtained by averaging the jumps in the SIPG method. We prove that these schemes meet the main mathematical gradient discretisation properties on any kind of polytopal mesh, by adapting discrete functional analysis properties to our precise geometrical hypotheses. Therefore, these schemes inherit the general convergence properties of the GDM, which hold for instance in the cases of the p-Laplace problem and of the anisotropic and heterogeneous diffusion problem. This is illustrated by simple 1D and 2D numerical examples.

97 MATHEMATICS AND COMPUTING↗

Portable Parallel Programming for the Dynamic Load Balancing of Unstructured Grid Applications

The ability to dynamically adapt an unstructured -rid (or mesh) is a powerful tool for solving computational problems with evolving physical features; however, an efficient parallel implementation is rather difficult, particularly from the view point of portability on various multiprocessor platforms We address this problem by developing PLUM, tin automatic anti architecture-independent framework for adaptive numerical computations in a message-passing environment. Portability is demonstrated by comparing performance on an SP2, an Origin2000, and a T3E, without any code modifications. We also present a general-purpose load balancer that utilizes symmetric broadcast networks (SBN) as the underlying communication pattern, with a goal to providing a global view of system loads across processors. Experiments on, an SP2 and an Origin2000 demonstrate the portability of our approach which achieves superb load balance at the cost of minimal extra overhead.

Biswas, Rupak↗

MECHANISTIC MULTIPHYSICS MODELING OF CLADDING RUPTURE IN NUCLEAR FUEL RODS DURING LOSS-OF-COOLANT ACCIDENT CONDITIONS

The Loss of Coolant Accident (LOCA) is a design basis accident that is included as part of the safety analysis of nuclear power plants. As the nuclear industry desires to increase the cycle length and discharge burnup of existing nuclear power plants they must demonstrate safe operation during a LOCA on high burnup fuel. During a LOCA transient on high burnup fuel rods, the rods may undergo a process known as fuel fragmentation, relocation, and dispersal (FFRD). To permit dispersal, the cladding encapsulating the fuel must rupture with an opening size large enough to allow the fragmented fuel particles to release. Current licensing tools used by industry and the United States Nuclear Regulatory Commission are limited in geometric fidelity and materials that can be analyzed. These simulation tools generally employ a quasi-two-dimensional (1.5D or Layered1D) or 2D-RZ axisymmetric geometric representations exclusively. While a valid approach under some instances, there are times when important physics have an asymmetric behavior in the fuel rod. Examples include fuel fragmentation, thermal-hydraulic boundary conditions, and cladding rupture, all of which are important for LOCA analysis. As industry pursues burnup extensions it must be demonstrated that fuel dispersal can be mitigated or eliminated. To do this, an understanding of the rupture opening after cladding failure is required. This work presents the development of a model for predicting the size and location of the rupture opening in failed fuel rods during LOCA conditions using advanced modeling and simulation tools. In order to supply the rupture model with appropriate boundary conditions, improvements to fuel fragmentation, axial relocation and oxidation modeling were required. First, the eXtended Finite Element Method (XFEM) is used to mechanistically predict the number of fuel fragments that form due to material strength randomization, criteria for strength randomization, mesh density, power ramping rates and irradiation effects. These predictions with associated uncertainty were compared to empirical correlations developed for UO2 verifying that they can be used with increased confidence in subsequent axial relocation analyses. Secondly, a new first-of-its-kind Layered2D computational framework was developed that provides the ability to apply azimuthally varying boundary conditions while providing discrete layers to track fuel movement during the LOCA. An existing fuel axial relocation model developed for Layered1D was extended to work within the Layered2D framework. A large sensitivity study was performed on the initial version of the model to identify modeling parameters of particular importance, with the emissivity used for radiation after blowdown being the primary source of uncertainty. Then, a simplistic approach to incorporate mechanical degradation of the cladding due to oxidation was also developed to investigate the impact of reduced cladding thickness on predictions of the time to failure of cladding tubes. It was found that the cladding will typically rupture prior to a reduction in thickness that is sufficient to impact the rupture behavior. A model was then developed for predicting cladding rupture that transfers the cladding surface temperatures, rod internal and external pressures, fast neutron fluence, and fast neutron flux from a more detailed Layered1D, Layered2D, or 2D-RZ analysis to a 3D cladding only analysis. Comparisons of the rupture model to a few experiments indicate reasonable predictions. The rupture model was then applied to two accident tolerant fuel concepts (FeCrAl and Cr-coated Zircaloy) where it predicted that both ATF concepts would have smaller rupture openings and delayed rupture times than the standard Zircaloy-4 cladding material under identical loading conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Composite matrix construction for structured grid adaptive mesh refinement

Structured-grid adaptive mesh refinement (SAMR) is an approach to mesh generation that supports structured access to data and adaptive mesh refinement for discretized partial differential equations (PDEs). Solution algorithms often require that an inverse of an operator be applied, a system of algebraic equations must be solved, and this process is often the primary computational cost in an application. SAMR is well suited to geometric multigrid solvers, which can be effective, but often do not adapt well to complex geometry including material coefficients. Algebraic multigrid (AMG) is more robust in the face of complex geometry, in both boundary conditions and internal material interfaces. AMG requires a stored matrix linearization of the operator. We discuss an approach, and an implementation in the Chombo block-structured AMR framework, for constructing composite grid matrices from a SAMR hierarchy of grids for use in linear solvers in the PETSc numerical library. We consider a case study with the Chombo-based BISICLES ice sheet modeling application.

97 MATHEMATICS AND COMPUTING↗

Grad–Shafranov equilibria via data-free physics informed neural networks

A large number of magnetohydrodynamic (MHD) equilibrium calculations are often required for uncertainty quantification, optimization, and real-time diagnostic information, making MHD equilibrium codes vital to the field of plasma physics. In this paper, we explore a method for solving the Grad–Shafranov equation by using physics-informed neural networks (PINNs). For PINNs, we optimize neural networks by directly minimizing the residual of the partial differential equation as a loss function. We show that PINNs can accurately and effectively solve the Grad–Shafranov equation with several different boundary conditions, making it more flexible than traditional solvers. This method is flexible as it does not require any mesh and basis choice, thereby streamlining the computational process. We also explore the parameter space by varying the size of the model, the learning rate, and boundary conditions to map various tradeoffs such as between reconstruction error and computational speed. Additionally, we introduce a parameterized PINN framework, expanding the input space to include variables such as pressure, aspect ratio, elongation, and triangularity in order to handle a broader range of plasma scenarios within a single network. Parameterized PINNs could be used in future work to solve inverse problems such as shape optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A GPU-based compressible combustion solver for applications exhibiting disparate space and time scales

High-speed chemically active flows pose significant computational challenges due to their disparate space and time scales, with stiff chemistry often dominating simulation time. While modern scientific computing programs achieve exascale performance by leveraging graphics processing units (GPUs), existing GPU-based compressible combustion solvers face critical limitations in memory management, load balancing, and handling the highly localized nature of chemical reactions. To this end, we present a high-performance compressible reacting flow solver built on the AMReX framework and optimized for multi-GPU settings. Here, our approach addresses three GPU performance bottlenecks: memory access patterns through column-major storage optimization, computational workload variability via a bulk-sparse integration strategy for chemical kinetics, and multi-GPU load distribution for adaptive mesh refinement applications. The solver adapts existing matrix-based chemical kinetics formulations to multi-grid contexts. Using representative combustion applications, including 2D and 3D detonations and a 3D jet-in-crossflow configuration, we demonstrate 1.4–5× performance improvements over initial implementations on an in-house cluster of NVIDIA H100 GPUs, and near-ideal weak scaling on the Frontier supercomputer (Oak Ridge Leadership Computing Facility) with up to 1024 AMD Instinct MI250X GPUs. Roofline analysis reveals substantial improvements in arithmetic intensity for both convection (∼ 10 ×) and chemistry (∼ 4 ×) routines, confirming efficient utilization of GPU memory bandwidth and computational resources.

42 ENGINEERING↗

On the convergence of Neumann series for electrostatic fracture response

Here, the feasibility of Neumann series expansion of Maxwell’s equations in the electrostatic limit is investigated for potentially rapid and approximate subsurface imaging of geologic features proximal to metallic infrastructure in an oilfield environment. While generally useful for efficient modeling of mild conductivity perturbations in uncluttered settings, we raise the question of its suitability for situations, such as oilfield, where metallic artifacts are pervasive, and in some cases, in direct electrical contact with the conductivity perturbation on which the Neumann series is computed. Convergence of the Neumann series and its residual error are computed using the hierarchical finite element framework for a canonical oilfield model consisting of an “L” shaped, steel-cased well, energized by a steady state electrode, and penetrating a small set of mildly conducting fractures near the heel of the well. For a given node spacing h in the finite element mesh, we find that the Neumann series is ultimately convergent if the conductivity is small enough - a result consistent with previous presumptions on the necessity of small conductivity perturbations. However, we also demonstrate that the spectral radius of the Neumann series operator grows as ~ 1/ h , thus suggesting that in the limit of the continuous problem h → 0, the Neumann series is intrinsically divergent for all conductivity perturbation, regardless of their smallness. The hierarchical finite element methodology itself is critically analyzed and shown to possess the h 2 error convergence of traditional linear finite elements, thereby supporting the conclusion of an inescapably divergent Neumann series for this benchmark example. Application of the Neumann series to oilfield problems with metallic clutter should therefore be done with careful consideration to the coupling between infrastructure and geology. Here, the methods used here are demonstrably useful in such circumstances.

58 GEOSCIENCES↗

FleCSPH notes

FleCSI is a compile-time con gurable framework designed to support multi-physics application development. As such, FleCSI provides a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. FleCSI currently supports multi-dimensional mesh topology, geometry, and adjacency information, as well as n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures. FleCSI introduces a functional programming model with control, execution, and data abstractions that are consistent both with MPI and with state-of-the-art, task-based runtimes such as Legion and Charm++. The abstraction layer insulates developers from the underlying runtime, while allowing support for multiple runtime systems including conventional models like asynchronous MPI. The intent is to provide developers with a concrete set of user-friendly programming tools that can be used now, while allowing exibility in choosing runtime implementations and optimization that can be applied to future architectures and runtimes. FleCSI's control and execution models provide formal nomenclature for describing poorly understood concepts such as kernels and tasks. FleCSI's data model provides a low-buy-in approach that makes it an attractive option for many application projects, as developers are not locked into particular layouts or data structure representations. FleCSI currently provides a parallel but not distributed implementation of Binary, Quad and Oct-tree topology. This implementation is base on space lling curves domain decomposition, the Morton order. The current FleCSI version requires the implementation of a driver and a specialization driver. The role of the specialization driver is to provide the data distribution. This feature is not complete in FleCSI code and we provide it. The next step will be to incorporate it directly from FleCSPH to FleCSI as we reach a good level of performance. Then the driver represent the general execution of the resolution without worrying of the data locality and communications. As FleCSI is an On-Development code the structure may change in the future and we keep track of these changes in FleCSPH.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Global seamless tidal simulation using a 3D unstructured-grid model (SCHISM v5.10.0)

We present a new 3D unstructured-grid global ocean model to study both tidal and nontidal processes, with a focus on the total water elevation. Unlike existing global ocean models, the new model resolves estuaries and rivers down to ~8 m without the need for grid nesting. The model is validated with both satellite and in situ observations for elevation, temperature, and salinity. Tidal elevation solutions have a mean complex root-mean-square error (RMSE) of 4.2 cm for M2 and 5.4 cm for all five major constituents in the deep ocean. The RMSEs for the other four constituents, S2, N2, K1, and O1, are, respectively, 2.05, 0.93, 2.08, and 1.34 cm). The nontidal residual assessed by a tide gauge dataset (GESLA) has a mean RMSE of 7 cm. For the first time ever, we demonstrate the potential for seamless simulation on a single mesh from the global ocean into several estuaries along the US West Coast. The model is able to accurately capture the total elevation, even at some upstream stations. The model can therefore potentially serve as the backbone of a global tide surge and compound flooding forecasting framework.

54 ENVIRONMENTAL SCIENCES↗