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At least 307 records · Page 17

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DOE OSTI2025

Parallel-in-Time Solution of Scalar Nonlinear Conservation Laws

Here, we consider the parallel-in-time solution of scalar nonlinear conservation laws in one spatial dimension. The equations are discretized in space with a conservative finite-volume method using weighted essentially nonoscillatory (WENO) reconstructions, and in time with high-order explicit Runge–Kutta methods. The solution of the global, discretized space-time problem is sought via a nonlinear iteration that uses a novel linearization strategy in cases of nondifferentiable equations. Under certain choices of discretization and algorithmic parameters, the nonlinear iteration coincides with Newton’s method, although, more generally, it is a preconditioned residual correction scheme. At each nonlinear iteration, the linearized problem takes the form of a certain discretization of a linear conservation law over the space-time domain in question. An approximate parallel-in-time solution of the linearized problem is computed with a single multigrid reduction-in-time (MGRIT) iteration; however, any other effective parallel-in-time method could be used in its place. The MGRIT iteration employs a novel coarse-grid operator that is a modified conservative semi-Lagrangian discretization and generalizes those we have developed previously for nonconservative scalar linear hyperbolic problems. Numerical tests are performed for the inviscid Burgers and Buckley–Leverett equations. For many test problems, the solver converges in just a handful of iterations with a convergence rate independent of mesh resolution, including problems with (interacting) shocks and rarefactions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗

NASA NTRS2016

A Nonlinear Modal Aeroelastic Solver for FUN3D

A nonlinear structural solver has been implemented internally within the NASA FUN3D computational fluid dynamics code, allowing for some new aeroelastic capabilities. Using a modal representation of the structure, a set of differential or differential-algebraic equations are derived for general thin structures with geometric nonlinearities. ODEPACK and LAPACK routines are linked with FUN3D, and the nonlinear equations are solved at each CFD time step. The existing predictor-corrector method is retained, whereby the structural solution is updated after mesh deformation. The nonlinear solver is validated using a test case for a flexible aeroshell at transonic, supersonic, and hypersonic flow conditions. Agreement with linear theory is seen for the static aeroelastic solutions at relatively low dynamic pressures, but structural nonlinearities limit deformation amplitudes at high dynamic pressures. No flutter was found at any of the tested trajectory points, though LCO may be possible in the transonic regime.

Goldman, Benjamin D.↗

NASA NTRSDate not supplied

A Framework for Mesh-Geometry Associativity during Mesh Adaptation

A framework has been developed for describing how a computational mesh is associated to the geometry model it discretizes. The target application of this framework is surface mesh adaptation in a CFD flow solver. The framework, called MeshLink, consists of two components. First, a schema has been defined for describing the one-to-many associativity of a surface mesh to the geometry model entities to which it is attached. Second, a high-level library provides a kernel-agnostic wrapper for providing the necessary geometry queries to an application (e.g., mesher, flow solver). Both the schema and library are provided freely and openly. MeshLink’s ability to support solution mesh adaptation on linear and curved meshes for a high-order flow solution is demonstrated on several test cases relevant to the aerospace and automotive industries.

mesh adaptation↗

NASA NTRS1976

NASA-Ames three-dimensional potential flow analysis system (POTFAN) equation solver code (SOLN) version 1

A computer program known as SOLN was developed as an independent segment of the NASA-Ames three-dimensional potential flow analysis systems of linear algebraic equations. Methods used include: LU decomposition, Householder's method, a partitioning scheme, and a block successive relaxation method. Due to the independent modular nature of the program, it may be used by itself and not necessarily in conjunction with other segments of the POTFAN system.

Davis, J. E.↗

NASA NTRS1993

High order finite difference and multigrid methods for spatially evolving instability in a planar channel

The fourth-order finite-difference scheme with fully implicit time-marching presently used to computationally study the spatial instability of planar Poiseuille flow incorporates a novel treatment for outflow boundary conditions that renders the buffer area as short as one wavelength. A semicoarsening multigrid method accelerates convergence for the implicit scheme at each time step; a line-distributive relaxation is developed as a robust fast solver that is efficient for anisotropic grids. Computational cost is no greater than that of explicit schemes, and excellent agreement with linear theory is obtained.

Liu, C.↗

NASA NTRSDate not supplied

Component-Based Development of CFD Software FUN3D

FUN3D, a suite of Computational Fluid Dynamics simulation and design tools developed at the NASA Langley Research Center, has undergone continuous development since the late1980s. It contains a large portion of legacy code. Extending it with new capabilities becomes increasingly difficult. To improve the extensibility and reusability, FUN3D is moving toward component-based development. New features, such as Stabilized Finite Elements, Yoga, and Sparse Linear Algebra Toolkit, are integrated into the system as components. Some existing features such as the Node-Centered Finite Volume Solver, are also being refactored to components. The integration of these components poses new requirements on the development workflow. In this paper, we describe the Continuous Integration of FUN3D to support component-based development, and discuss the tools used, the practices followed, and lessons learned during the transition from the traditional approach.

computational fluid dynamics software↗

NASA NTRS2018

Progress Towards Integrating the Finite-Volume Cubed-Sphere (FV3) Dynamical Core Tangent Linear and Adjoint Models into JEDI

The Joint Effort for Data assimilation Integration (JEDI) -- led by the Joint Center for Satellite Data Assimilation (JCSDA) -- is an inter-organizational endeavor to develop a common framework for performing data assimilation. This extensive framework will ultimately provide solvers, observation operators, interpolation and model interfaces using object oriented modeling. Two partners involved in JEDI use or plan to use the Finite Volume Cubed-Sphere (FV3) dynamical core to produce weather forecasts; these are NASA's Global Modeling and Assimilation Office and NOAA's National Center for Environment Prediction. In this work we present an update on ongoing efforts to integrate the FV3 tangent linear and adjoint models into the prototype JEDI framework. We setup and run a simple cycled data assimilation experiment using 4DVAR on the cubed sphere grid and with the FV3 tangent linear and adjoint models. Development of the observation operators for JEDI is separately underway. Instead of using real observations a simplified set of simulated observations will be used. We discuss the steps required to bring the FV3 linearized model into the object oriented framework and consider what would be the computational requirements of running this configuration for an operational system. FV3 uses a small time-step to ensure that small scales are well resolved, however this presents design challenges when running 4DVAR with the adjoint. An approach to storing the FV3 model trajectory has been developed that maintains the flexibility of using automatic differentiation. We discuss how this approach is incorporated into the framework. Other important uses of adjoint models include computing observation impacts and singular vectors, we consider how these tools can be included in JEDI.

Holdaway, Daniel↗

NASA NTRS2023

Implementation, Realization and an Effective Solver of Two-Equation Turbulence Models

Currently, when the Reynolds-Averaged Navier-Stokes (RANS) equations are solved using turbulence modeling, most often the one-equation model of Spalart and Allmaras is used. Then, it is only necessary to solve the RANS equations in conjunction with a single transport equation for modeling turbulence. For this model, considerable assessment and analysis has been performed, allowing the possibility of a reliable solution method for an eddy viscosity required to compute the Reynolds stresses in the RANS equations. Such evaluation along with analysis has not been achieved to realize similar performance with two-equation models of the k-w type. The primary objective of this paper is to present and discuss the components of an effective numerical algorithm for solving the RANS equations and the two transport equations of k-w type turbulence models. All the important details of the turbulence model as actually implemented are given, which is sometimes not done in various papers considering such modeling. The viability and effectiveness of this solution algorithm are demonstrated by solving both two-dimensional and three-dimensional aerodynamic flows. In all applications, a linear rate of convergence without oscillations or other evidence of unstable behavior is observed. This behavior is also particularly true when the proposed algorithm is applied to systematically renewed mesh sequences, which is generally not observed with algorithms solving more than one transport equation. Thus, numerical integration errors are systematically reduced, allowing for a significantly more reliable assessment of the effectiveness of the turbulence model. Additionally, in this paper, analysis of the solution algorithm, including linear stability, is also performed for a particular flow problem.

Turbulence↗

DOE OSTI2024

IDAES-PSE 2.5.0 Release

AS↗

DOE OSTI2024

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗

DOE OSTI2025

Peeling-ballooning modes in spherical tokamaks: Multi-branch instabilities and effects beyond ideal MHD

A number of important physics effects on the stability of relatively high-n (n is the toroidal mode number) peeling-ballooning modes (PBMs) are investigated based on an equilibrium reconstructed from a NSTX discharge, utilizing extended magnetohydrodynamic (MHD) eigenvalue solvers. For a given toroidal mode number n, multiple branches of instabilities are computed, with the total number of unstable branches roughly linearly scaling with n. Most of the unstable branches are located in the plasma core region, but edge-localized branches, i.e., PBMs, are also identified at higher n-numbers. For the single-fluid-wise most unstable PBM with n = 19⁠, stabilizing/destabilizing effects due to various physics beyond ideal MHD are systematically investigated. Plasma toroidal flow is found to be weakly stabilizing. Local flow shear is generally stabilizing as well, with the degree of stabilization depending on the initial growth rate (without flow shear) of the mode. The plasma resistivity can strongly destabilize the PBM within the single-fluid framework. Anisotropic thermal transport, strong parallel sound wave damping, as well as two-fluid effects are all stabilizing to the mode. In particular, diamagnetic stabilization (within the two-fluid model) is found to be very strong for this mode.

Linear stability analysis↗

NASA NTRS1983

Computational methods for ideal compressible flow

Conservative dissipative difference schemes for computing one dimensional flow are introduced, and the recognition and representation of flow discontinuities are discussed. Multidimensional methods are outlined. Second order finite volume schemes are introduced. Conversion of difference schemes for a single linear convection equation into schemes for the hyperbolic system of the nonlinear conservation laws of ideal compressible flow is explained. Approximate Riemann solvers are presented. Monotone initial value interpolation; and limiters, switches, and artificial dissipation are considered.

Vanleer, B.↗

NASA NTRS1995

Computation of wave propagation in a complex flow

A numerical method has been developed in order to address aeroacoustic problems modeled by the linearized Euler equations. A weak formulation of the equations leads to a time-dependent equation for the test functions. The basic solver being one dimensional, two dimensional problems are handled by directional splitting. This method shows low dissipation and dispersion errors.

Lafon, Philippe↗

DOE OSTI2026

Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation

This Final Scientific and Technical Report summarizes work performed under the Phase IIA SBIR project “Enabling the Broader Use of MOOSE for Nuclear Energy and Other Simulation” (DE-SC0020906) from August 2023 through August 2025. The objective of the Phase IIA effort was to mature and harden capabilities developed during Phase II, with the goal of enabling practical interoperability between Coreform’s isogeometric analysis (IGA) technologies and the Multiphysics Object-Oriented Simulation Environment (MOOSE), while improving robustness, performance, and scalability for complex, nuclear-relevant geometries. Over the course of Phase IIA, the project established and validated an extraction-based interoperability pathway between Coreform tools and MOOSE. A combined mesh and matrix format was defined collaboratively with MOOSE developers and integrated into the solver, enabling standard MOOSE workflows to operate on data exported from Coreform’s IGA and Flex Representation Method (FRM) pipelines. Early demonstrations validated architectural compatibility using linear solid mechanics problems, while later efforts focused on benchmark testing and external use. By the end of the project period, engineers at BWXT were able to independently set up and execute a simulation using the Coreform–MOOSE workflow and provide direct feedback that informed further refinement. In parallel, substantial effort was devoted to improving the robustness of trimmed U-spline construction for complex CAD geometries. A growing test suite of nuclear-relevant models was compiled through collaboration with multiple stakeholders and used to drive extensive bug fixing and reliability improvements. These efforts resulted in improved robustness and performance, including the addition of fallback capabilities that enhance reliability when the underlying commercial CAD kernel fails. Performance-oriented work progressed later in the project, with the development and demonstration of methods to decompose complex geometries into structured subregions and updated data representations to support more efficient solver processing. Additionally, extensive enhancements to threadsafe parallel data structures and trimming operations established a foundation for scalable processing of large assemblies. Collaboration with Sandia National Laboratories on the SGM geometric modeling kernel advanced to a functioning interface test case, positioning the workflow for future kernel integration. Overall, the Phase IIA effort successfully transitioned the project from architectural proof-of-concept to externally exercised, solver-integrated capability, while clarifying remaining technical challenges related to standardization, performance optimization, and kernel integration.

42 ENGINEERING↗

NASA NTRS1991

Parallelized solvers for heat conduction formulations

Based on multilevel partitioning, this paper develops a structural parallelizable solution methodology that enables a significant reduction in computational effort and memory requirements for very large scale linear and nonlinear steady and transient thermal (heat conduction) models. Due to the generality of the formulation of the scheme, both finite element and finite difference simulations can be treated. Diverse model topologies can thus be handled, including both simply and multiply connected (branched/perforated) geometries. To verify the methodology, analytical and numerical benchmark trends are verified in both sequential and parallel computer environments.

Padovan, Joe↗

NASA NTRS1992

Aerodynamic shape optimization via sensitivity analysis on decomposed computational domains

Direct and iterative method considered to be most applicable to large systems of linear equations arising in discrete sensitivity analysis are assessed. Based on a single-domain grid, computations are performed using a banded matrix solver and an iterative solver, the generalized minimum residual (GMRES) method. The banded matrix solver is found to be generally the most economical method for those applications where the number of right-hand sides is large (i.e., a large number of design variables or a large number of adjoint vectors). For systems of equations that are too large to be solved by direct methods, an approach is proposed whereby the computational domain is divided into small subdomains, and each subdomain is solved separately.

Eleshaky, Mohamed E.↗

NASA NTRSDate not supplied

Development of Physics-Based Transition Models for Unstructured-Mesh CFD Codes Using Deep Learning Models

Predicting transition locations over a vehicle surface is of fundamental importance for many engineering applications. With the transition information, the Reynolds-averaged Navier-Stokes (RANS) computations can turn on the turbulence model at the right locations so that drag, lift and other aerodynamic quantities can be accurately predicted. In contrast to the popularity of RANS-based transition modeling in which transition onset is governed by the turbulence equations, physics-based transition models that account for instability waves within the boundary layer, thus more compliant to flow physics, only gained more attention in recent years. This paper describes the development of a new physics-based transition model based on either the linear stability theory (LST) or parabolized stability equations (PSE). The model is designed to communicate with a structured or unstructured-mesh RANS solver back and forth in order to more accurately compute transition fronts over a three-dimensional body. In the developed model, the Python suite of interface codes in conjunction with the LASTRAC software can be executed autonomously to produce transition onset locations for a given laminar or RANS-computed transitional state. In addition, as a proof of concept, the tool set consists of a deep learning neural network model that has been designed and trained to predict instability wave evolutions inside the boundary layer for various instability wave mechanisms across a selected speed range. A machine-learned intelligent profile interpolation model has also been devised to enable reliable instability-wave spectra predictions with just a few points in the mean flow profiles.

Transition Modeling↗