SEARCH · Search NASA

Results for “numerical solver”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4

All sources NASA NTRS DOE OSTI

NASA NTRS1982

Numerical solution of transonic wing flow fields

A fast, fully implicit, approximate factorization algorithm designed to solve the conservative full-potential equation is used to compute lifting-wing flow fields with embedded transonic flow. The computer program (TWING - transonic wing analysis) uses an elliptic-solver numerical grid-generation routine and is capable of analyzing arbitrary wing geometries with sweep, twist, taper, and section variation. Computed flowfield results for several wing geometries are presented; they demonstrate substantial improvement in convergence speed relative to the FL028 computer code.

Holst, T. L.↗

DOE OSTI2023

A parallel p ‐adaptive discontinuous Galerkin method for the Euler equations with dynamic load‐balancing on tetrahedral grids

Abstract A novel p ‐adaptive discontinuous Galerkin (DG) method has been developed to solve the Euler equations on three‐dimensional tetrahedral grids. Hierarchical orthogonal basis functions are adopted for the DG spatial discretization while a third order TVD Runge‐Kutta method is used for the time integration. A vertex‐based limiter is applied to the numerical solution in order to eliminate oscillations in the high order method. An error indicator constructed from the solution of order and is used to adapt degrees of freedom in each computational element, which remarkably reduces the computational cost while still maintaining an accurate solution. The developed method is implemented with under the Charm++ parallel computing framework. Charm++ is a parallel computing framework that includes various load‐balancing strategies. Implementing the numerical solver under Charm++ system provides us with access to a suite of dynamic load balancing strategies. This can be efficiently used to alleviate the load imbalances created by p ‐adaptation. A number of numerical experiments are performed to demonstrate both the numerical accuracy and parallel performance of the developed p ‐adaptive DG method. It is observed that the unbalanced load distribution caused by the parallel p ‐adaptive DG method can be alleviated by the dynamic load balancing from Charm++ system. Due to this, high performance gain can be achieved. For the testcases studied in the current work, the parallel performance gain ranged from 1.5× to 3.7×. Therefore, the developed p ‐adaptive DG method can significantly reduce the total simulation time in comparison to the standard DG method without p ‐adaptation.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2003

Study of Unsteady Flows with Concave Wall Effect

This paper presents computational fluid dynamic studies of the inlet turbulence and wall curvature effects on the flow steadiness at near wall surface locations in boundary layer flows. The time-stepping RANS numerical solver of the NASA Glenn-HT RANS code and a one-equation turbulence model, with a uniform inlet turbulence modeling level of the order of 10 percent of molecular viscosity, were used to perform the numerical computations. The approach was first calibrated for its predictabilities of friction factor, velocity, and temperature at near surface locations within a transitional boundary layer over concave wall. The approach was then used to predict the velocity and friction factor variations in a boundary layer recovering from concave curvature. As time iteration proceeded in the computations, the computed friction factors converged to their values from existing experiments. The computed friction factors, velocity, and static temperatures at near wall surface locations oscillated periodically in terms of time iteration steps and physical locations along the span-wise direction. At the upstream stations, the relationship among the normal and tangential velocities showed vortices effects on the velocity variations. Coherent vortices effect on the velocity components broke down at downstream stations. The computations also predicted the vortices effects on the velocity variations within a boundary layer flow developed along a concave wall surface with a downstream recovery flat wall surface. It was concluded that the computational approach might have the potential to analyze the flow steadiness in a turbine blade flow.

Wang, Chi R.↗

DOE OSTI2024

Numerical simulation of RHIC polarized proton run 17 spin flipper experiments

RHIC nine-magnet spin flipper has been operated successfully during RHIC polarized proton Run 17, with 97% spin flip efficiency achieved. The results show the importance of mirror resonance removal, small spin tune spread, and proper spin flipper driving tune sweep speed. Detailed spin tracking simulations, based on a Lorentz force and Thomas-BMT differential equation numerical solver code for accuracy, have been carried out to understand the experimental results. Agreement within measurement accuracy is obtained at injection energy, 23.8 GeV. It is not as tight at 255 GeV, reasons for that are exposed. These measurements and numerical studies allow to determine the sensitivity of spin-flip efficiency to the dispersion slopes at the two Siberian snakes and to the ac dipole frequency sweep speed. They also provide guidance for future developments at BNL’s electron-ion collider. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Numerical calculation of ion runaway distributions

Ions accelerated by electric fields (so-called runaway ions) in plasmas may explain observations in solar flares and fusion experiments; however, limitations of previous analytic work have prevented definite conclusions. In this work, we describe a numerical solver of the 2D non-relativistic linearized Fokker-Planck equation for ions. It solves the initial value problem in velocity space with a spectral-Eulerian discretization scheme, allowing arbitrary plasma composition and time-varying electric fields and background plasma parameters. The numerical ion distribution function is then used to consider the conditions for runaway ion acceleration in solar flares and tokamak plasmas. Typical time scales and electric fields required for ion acceleration are determined for various plasma compositions, ion species, and temperatures, and the potential for excitation of toroidal Alfvén eigenmodes during tokamak disruptions is considered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRSDate not supplied

High Speed Data Investigation of an LOX/LNG Combustor Assisted by Non-linear Acoustic Simulations

During testing of a regenerative cooled liquid oxygen/liquid natural gas combustor large amplitude combustion instabilities were observed in half of the series conducted. These instabilities produced an unsteady pressure Root Mean Square (RMS) value greater than the chamber steady state pressure. Quick look investigations of the test data presented some standard indications of non-linear tangential instability such as a non-sinusoidal time series, and larger peaks than trough. Also observed in the data quick look were some atypical findings including a first harmonic amplitude larger than the fundamental, and numerous side bands on the fundamental and subsequent harmonics. A simplified model of the combustor was created using a commercially available finite element software. The first tangential acoustic mode was then simulated using a non-linear wave equation in conjunction with a time explicit discontinuous Gelarkin flow solver. Numerous simulations were evaluated providing valuable insight and reproducing the atypical findings in the data. Side bands were created through non-linear signal modulation like an AM radio. This happens due to the non-linear steepening and relaxing that occurs in large amplitude oscillations. The simulation was also able to reproduce a signal with a first harmonic amplitude larger than the fundamental. Investigating the pressure signal at multiple locations across the chamber head end revealed radial dependent frequency content. A literature review of the topic revealed corroboration of these effect in idealized geometries.

Combustion Stability↗

NASA NTRSDate not supplied

High Speed Data Investigation of an LOX/LNG Combustor Assisted by Non-linear Acoustic Simulations

Combustion Stability↗

DOE OSTI2020

Adaptive Hybridizable Discontinuous Galerkin discretization of the Grad–Shafranov equation by extension from polygonal subdomains

In this work, we propose a high-order adaptive numerical solver for the semilinear elliptic boundary value problem modeling magnetic plasma equilibrium in axisymmetric confinement devices. In the fixed boundary case, the equation is posed on curved domains with piecewise smooth curved boundaries that may present corners. The solution method we present is based on the hybridizable discontinuous Galerkin method and sidesteps the need for geometry-conforming triangulations thanks to a transfer technique that allows to approximate the solution using only a polygonal subset as computational domain. Moreover, the solver features automatic mesh refinement driven by a residual-based a posteriori error estimator. As the mesh is locally refined, the computational domain is automatically updated in order to always maintain the distance between the actual boundary and the computational boundary of the order of the local mesh diameter. Numerical evidence is presented of the suitability of the estimator as an approximate error measure for physically relevant equilibria with pressure pedestals, internal transport barriers, and current holes on realistic geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

FIERRO V.X

FIERRO is a modern C++ code intended to simulate quasi-static solid mechanics problems and transient, compressible material dynamic problems with Lagrangian methods, which have meshes with constant mass elements that move with the material. FIERRO is designed to aid a) material model research that has historically been done using commercial implicit and explicit finite element codes, b) numerical methods research, and c) computer science research. FIERRO supports user developed material models that adhere to several industry standard formats by using a C++ to Fortran interface to couple the model to the numerical solvers. FIERRO is built on the ELEMENTS library that supports a diverse suite of element types, including high-order elements, and quadrature rules. The mesh class within the ELEMENTS library is designed for efficient calculations on unstructured meshes and to minimize memory usage. FIERRO is designed to readily accommodate a range of numerical methods including continuous finite element, finite volume, and discontinuous Galerkin methods. FIERRO is designed to support explicit and implicit time integration methods. FIERRO only supports a single material in an element. No physical data exists within the code.

Morgan, Nathaniel↗

DOE OSTI2024

Lattice Green’s Functions for High-Order Finite Difference Stencils

Lattice Green's Functions (LGFs) are fundamental solutions to discretized linear operators, and as such they are a useful tool for solving discretized elliptic PDEs on domains that are unbounded in one or more directions. The majority of existing numerical solvers that make use of LGFs rely on a second-order discretization and operate on domains with free-space boundary conditions in all directions. Under these conditions, fast expansion methods are available that enable precomputation of 2D or 3D LGFs in linear time, avoiding the need for brute-force multi-dimensional quadrature of numerically unstable integrals. Here we focus on higher-order discretizations of the Laplace operator on domains with more general boundary conditions, by (1) providing an algorithm for fast and accurate evaluation of the LGFs associated with high-order dimension-split centered finite differences on unbounded domains, and (2) deriving closed-form expressions for the LGFs associated with both dimension-split and Mehrstellen discretizations on domains with one unbounded dimension. Through numerical experiments we demonstrate that these techniques provide LGF evaluations with near machine-precision accuracy, and that the resulting LGFs allow for numerically consistent solutions to high-order discretizations of the Poisson's equation on fully or partially unbounded 3D domains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials↗

DOE OSTI2015

Generalized correlation integral vectors: A distance concept for chaotic dynamical systems

Several concepts of fractal dimension have been developed to characterise properties of attractors of chaotic dynamical systems. Numerical approximations of them must be calculated by finite samples of simulated trajectories. In principle, the quantities should not depend on the choice of the trajectory, as long as it provides properly distributed samples of the underlying attractor. In practice, however, the trajectories are sensitive with respect to varying initial values, small changes of the model parameters, to the choice of a solver, numeric tolerances, etc. The purpose of this paper is to present a statistically sound approach to quantify this variability. We modify the concept of correlation integral to produce a vector that summarises the variability at all selected scales. The distribution of this stochastic vector can be estimated, and it provides a statistical distance concept between trajectories. Here, we demonstrate the use of the distance for the purpose of estimating model parameters of a chaotic dynamic model. The methodology is illustrated using computational examples for the Lorenz 63 and Lorenz 95 systems, together with a framework for Markov chain Monte Carlo sampling to produce posterior distributions of model parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

SPUS-Small-PDE-U-net-Solver

Small PDE U-Net Solver (SPUS) is a compact and efficient foundation model (FM) designed as a unified neural operator for solving a wide range of partial differentialequations (PDEs). SPUS leverages a lightweight residual U-Net-based architecture as a foundation model architecture. To enable effective learning in this minimalist framework, SPUS utilizes a simple yet powerful auto-regressive pretraining strategy which closely replicates the behavior of numerical solvers to learn the underlying physics. SPUS is designed to be pretrained on a diverse set of fluid dynamics PDEs from public benchmark datasets.

Siddik, Abu↗

NASA NTRS1991

One shot methods for optimal control of distributed parameter systems 1: Finite dimensional control

The efficient numerical treatment of optimal control problems governed by elliptic partial differential equations (PDEs) and systems of elliptic PDEs, where the control is finite dimensional is discussed. Distributed control as well as boundary control cases are discussed. The main characteristic of the new methods is that they are designed to solve the full optimization problem directly, rather than accelerating a descent method by an efficient multigrid solver for the equations involved. The methods use the adjoint state in order to achieve efficient smoother and a robust coarsening strategy. The main idea is the treatment of the control variables on appropriate scales, i.e., control variables that correspond to smooth functions are solved for on coarse grids depending on the smoothness of these functions. Solution of the control problems is achieved with the cost of solving the constraint equations about two to three times (by a multigrid solver). Numerical examples demonstrate the effectiveness of the method proposed in distributed control case, pointwise control and boundary control problems.

Taasan, Shlomo↗

DOE OSTI2025

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Relaxation approximations to second-order traffic flow models by high-resolution schemes

A relaxation-type approximation of second-order non-equilibrium traffic models, written in conservation or balance law form, is considered. Using the relaxation approximation, the nonlinear equations are transformed to a semi-linear diagonilizable problem with linear characteristic variables and stiff source terms with the attractive feature that neither Riemann solvers nor characteristic decompositions are in need. In particular, it is only necessary to provide the flux and source term functions and an estimate of the characteristic speeds. To discretize the resulting relaxation system, high-resolution reconstructions in space are considered. Emphasis is given on a fifth-order WENO scheme and its performance. The computations reported demonstrate the simplicity and versatility of relaxation schemes as numerical solvers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

PINN surrogate of Li-ion battery models for parameter inference, Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of ~2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. Finally, in the low-data availability scenario, the testing error was estimated to ~2 mV for the SPM surrogate and ~10 mV for the P2D surrogate which could be mitigated with additional data.

25 ENERGY STORAGE↗

DOE OSTI2021

Insights on the continuous representations of piecewise-smooth nonlinear systems: limits of applicability and effectiveness

Dynamical systems subject to intermittent contact are often modeled with piecewise-smooth contact forces. However, the discontinuous nature of the contact can cause inaccuracies in numerical results or failure in numerical solvers. Representing the piecewise contact force with a continuous and smooth function can mitigate these problems, but not all continuous representations may be appropriate for this use. Here, five representations used by previous researchers (polynomial, rational polynomial, hyperbolic tangent, arctangent, and logarithm-arctangent functions) are studied to determine which ones most accurately capture nonlinear behaviors including super- and subharmonic resonances, multiple solutions, and chaos. The test case is a single-DOF forced Duffing oscillator with freeplay nonlinearity, solved using direct time integration. This work intends to expand on past studies by determining the limits of applicability for each representation and what numerical problems may occur.

42 ENGINEERING↗