Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “direct 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.

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

At least 487 records · Page 27

Computational Aerothermodynamic Simulation Issues on Unstructured Grids

The synthesis of physical models for gas chemistry and turbulence from the structured grid codes LAURA and VULCAN into the unstructured grid code FUN3D is described. A directionally Symmetric, Total Variation Diminishing (STVD) algorithm and an entropy fix (eigenvalue limiter) keyed to local cell Reynolds number are introduced to improve solution quality for hypersonic aeroheating applications. A simple grid-adaptation procedure is incorporated within the flow solver. Simulations of flow over an ellipsoid (perfect gas, inviscid), Shuttle Orbiter (viscous, chemical nonequilibrium) and comparisons to the structured grid solvers LAURA (cylinder, Shuttle Orbiter) and VULCAN (flat plate) are presented to show current capabilities. The quality of heating in 3D stagnation regions is very sensitive to algorithm options in general, high aspect ratio tetrahedral elements complicate the simulation of high Reynolds number, viscous flow as compared to locally structured meshes aligned with the flow.

Gnoffo, Peter A.↗

Numerical Simulations of A Conceptual MSR-EES Shoulder Recession

The present study demonstrates our in-house material response solver, Icarus's capability to simulate the ablative conditions, including pyrolysis effects due to the interaction between hypersonic boundary layers and the thermal protection system (TPS). A conceptual aeroshell shoulder design, which undergoes mission-relevant flow and material conditions, is selected for the demonstration purpose. LAURA, a structured flow solver, is used to solve flow around the shoulder at several trajectory points of a flight path. The aerothermal dataset obtained from LAURA is used to enforce boundary conditions on the aeroshell wall to simulate ablation processes. The two-layered material system is stacked with HEEET (TPS) and Aluminum (actual material). A set of base parameters, such as the angle of material orientation with respect to the flow direction, convective heat-transfer co-efficient, and aerothermal boundary conditions on the rear end of the HEEET material layer, is selected to conduct a base-case simulation. A small amount of recession was observed, indicating that the design should be fine to go through the selected flow and material conditions. Furthermore, the parameters mentioned above are individually altered and are observed to affect the shoulder design's recession compared to the base case. Verification of our Icarus setup was also carried out using a one-dimensional grid and FIAT, a one-dimensional material-response solver, to build credibility for our results. As the current work is an uncoupled fluid-material-response simulation, a local sharp mesh deformation in the recessed surface near the shoulder corner is observed.

Prakash Shrestha↗

An unstructured body-of-revolution electromagnetic particle-in-cell algorithm with radial perfectly matched layers and dual polarizations

A novel electromagnetic particle-in-cell algorithm has been developed for fully kinetic plasma simulations on unstructured (irregular) meshes in complex body-of-revolution geometries. The algorithm, implemented in the BORPIC++ code, utilizes a set of field scalings and a coordinate mapping, reducing the Maxwell field problem in a cylindrical system to a Cartesian finite element Maxwell solver in the meridian plane. The latter obviates the cylindrical coordinate singularity in the symmetry axis. The choice of an unstructured finite element discretization enhances the geometrical flexibility of the BORPIC++ solver compared to the more traditional finite difference solvers. Symmetries in Maxwell’s equations are explored to decompose the problem into two dual polarization states with isomorphic representations that enable code reuse. The particle-in-cell scatter and gather steps preserve charge conservation at the discrete level. Our previous algorithm (BORPIC+) discretized the E and B field components of TE Φ and TM Φ polarizations on the finite element (primal) mesh. Here, we employ a new field-update scheme. Using the same finite element (primal) mesh, this scheme advances two sets of field components independently: (1) E and B of TE Φ polarized fields, (E z , E ρ , B Φ ) and (2) D and H of TM Φ polarized fields, (D Φ , H z , H ρ ). Since these field updates are not explicitly coupled, the new field solver obviates the coordinate singularity, which otherwise arises at the cylindrical symmetric axis, ρ = 0 when defining the discrete Hodge matrices (generalized finite element mass matrices). Here, a cylindrical perfectly matched layer is implemented as a boundary condition in the radial direction to simulate open space problems, with periodic boundary conditions in the axial direction. We investigate effects of charged particles moving next to the cylindrical perfectly matched layer. We model azimuthal currents arising from rotational motion of charged rings, which produce TMΦ polarized fields. Several numerical examples are provided to illustrate the first application of the algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Standard test case for a low-speed, turbulent junction vortex flow

The mean flow structure upstream, around within, and in the near wake of a turbulent junction or horseshoe vortex is reported for an incompressible subsonic flow. Measurements of the primitive variables of velocity and pressure are reported on all surfaces bounding the region of the vortex flow and on three transverse and one streamwise plane within the flowfield itself for comparisons between the measured and any calculated flow variables. Detailed surface flow visualizations and some direct force measurements of surface shear stress are also available. The data is a highly detailed, coherent, self-consistent set offered to the computational fluid mechanics community as a standard test case for the evaluation of the capability of numerical solvers intended for predicting the flowfield in such a complex, separated, three-dimensional turbulent flow. This data base is available for copying to user supplied tapes or for transmission via BITNET, as well as in two National Technical Information Service (NTIS) reports.

Pierce, F. J.↗

LSENS, The NASA Lewis Kinetics and Sensitivity Analysis Code

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS (the NASA Lewis kinetics and sensitivity analysis code), are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include: static system; steady, one-dimensional, inviscid flow; incident-shock initiated reaction in a shock tube; and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method (LSODE, the Livermore Solver for Ordinary Differential Equations), which works efficiently for the extremes of very fast and very slow reactions, is used to solve the "stiff" ordinary differential equation systems that arise in chemical kinetics. For static reactions, the code uses the decoupled direct method to calculate sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters. Solution methods for the equilibrium and post-shock conditions and for perfectly stirred reactor problems are either adapted from or based on the procedures built into the NASA code CEA (Chemical Equilibrium and Applications).

Radhakrishnan, K.↗

Distributed Relaxation for Conservative Discretizations

A multigrid method is defined as having textbook multigrid efficiency (TME) if the solutions to the governing system of equations are attained in a computational work that is a small (less than 10) multiple of the operation count in one target-grid residual evaluation. The way to achieve this efficiency is the distributed relaxation approach. TME solvers employing distributed relaxation have already been demonstrated for nonconservative formulations of high-Reynolds-number viscous incompressible and subsonic compressible flow regimes. The purpose of this paper is to provide foundations for applications of distributed relaxation to conservative discretizations. A direct correspondence between the primitive variable interpolations for calculating fluxes in conservative finite-volume discretizations and stencils of the discretized derivatives in the nonconservative formulation has been established. Based on this correspondence, one can arrive at a conservative discretization which is very efficiently solved with a nonconservative relaxation scheme and this is demonstrated for conservative discretization of the quasi one-dimensional Euler equations. Formulations for both staggered and collocated grid arrangements are considered and extensions of the general procedure to multiple dimensions are discussed.

Diskin, Boris↗

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↗

Using Direct Numerical Simulation of Pore-Level Events to Improve Pore-Network Models for Prediction of Residual Trapping of CO2

Direct numerical simulation and pore-network modeling are common approaches to study the physics of two-phase flow through natural rocks. For assessment of the long-term performance of geological sequestration of CO 2 , it is important to model the full drainage-imbibition cycle to provide an accurate estimate of the trapped CO 2 . While direct numerical simulation using pore geometry from micro-CT rock images accurately models two-phase flow physics, it is computationally prohibitive for large rock volumes. On the other hand, pore-network modeling on networks extracted from micro-CT rock images is computationally efficient but utilizes simplified physics in idealized geometric pore elements. This study uses the lattice-Boltzmann method for direct numerical simulation of CO 2 -brine flow in idealized pore elements to develop a new set of pore-level flow models for the pore-body filling and snap-off events in pore-network modeling of imbibition. Lattice-Boltzmann simulations are conducted on typical idealized pore-network configurations, and the interface evolution and local capillary pressure are evaluated to develop modified equations of local threshold capillary pressure of pore elements as a function of shape factor and other geometrical parameters. The modified equations are then incorporated into a quasi-static pore-network flow solver. The modified model is applied on extracted pore-network of sandstone samples, and saturation of residual trapped CO 2 is computed for a drainage-imbibition cycle. The modified model yields different statistics of pore-level events compared with the original model; in particular, the occurrence of snap-off in pore-throats is reduced resulting in a more frontal displacement pattern along the main injection direction. Compared to the original model, the modified model is in closer agreement with the residual trapped CO 2 obtained from core flow experiments and direct numerical simulation.

Kohanpur, Amir H.↗

Quantum-Assisted Variational Segmentation for Image-to-Image Wildfire Detection Using Satellite Data

The quantum computing community has been searching for suitable applications to demonstrate the potential of near-term quantum devices. Quantum machine learning is a potential candidate, particularly using models that cannot be efficiently simulated with classical computers [1, 2]. This work focuses on a transition phase of quantum computers where the quantum machine learning model is still simulable classically but projected not to be simulable as the size of the model grows. Ultimately quantum computers may have advantages for high-dimensional real-world problems. Due to the limited number of qubits in current noisy intermediate-scale quantum (NISQ) devices, the direct application of quantum computers in high dimensional data is not feasible. To remedy this problem, an encoder-decoder architecture can be utilized. The encoder model would transform the high-dimensional data into a compact representation, to a level that small quantum computers can be used today (or in the near future), and the decoder would take the quantum processed outputs back to the high-dimensional space. Addressing the two challenges of quantum machine learning, this work investigates a hybrid supervised generative model with a quantum Ising Born machine embedded as the latent distribution. The model contains four main parts (Figure 1.a.): (1) a U-NET architecture responsible for learning segmentation flow, (2) a Prior network responsible for learning an encoded latent distribution of the input data, (3) a Born machine which represents the latent distribution, and (4) a Posterior network in charge of learning the joint encoded latent distribution of inputs and target data. The initial model, proposed by [3], is optimized by (1) maximizing the overlap of the prior and posterior latent distributions, and (2) minimizing the segmentation loss. The proposed model is designed to be investigated in a simulation environment applied to the real-world application of wildfire segmentation. Specifically, the model is designed to solve the patchy wildfire segmentations of Moderate Resolution Imaging Spectroradiometer (MODIS) by taking the MODIS observations and using Visible Infrared Imaging Radiometer Suite’s (VIIRS) consistent wildfire product as the target. The model solves patchy wildfire segmentations and provides insight into the epistemic errors sourced from model variation. The model utilizes the Born machine as a QUBO solver to represent the latent space as a Bernoulli distribution. The proposed configuration allows the variational segmentation model to leverage the true quantum probabilistic nature and derive a more expressive latent configuration, increasing the model performance in describing wildfire segmentations. The quantum probabilistic information of the Born machine is directly incorporated in the Kullback-Leibler divergence loss in the prior and posterior distributions, forcing the Bernoulli latent distribution to maximize the overlap of input and joint input-target distributions. The proposed model is then trained and compared with a baseline only consisting of direct Bernoulli latent distribution with no Born machine representing the latent space. The models are evaluated based on the segmentation metrics, such as precision, recall, intersect of union, with uncertainty boundaries accounting for the stochastic nature of the model. Our findings show that even in low latent-dimensional space (due to the limit in computational power of the classical quantum simulator), we are able to effectively capture the latent representation and hence the model performs better than the baseline. The findings are a projection for scaling the model into higher dimensional latent space with the Born machine surpassing the baseline performance. Figure 1. Sub-figure (a) demonstrates the architecture for the training phase. The model consists of a Prior and Posterior network that encode inputs and joint input-target data into compact representations, respectively. The Born machine represents the latent distribution, and the U-NET branch learns the segmentation patterns of the data. The stochasticity is introduced to the U-NET through its last layer to create meaningful but stochastic segmentations. Sub-figure (b) represents the inference phase where the model takes the stochastic behavior from the prior network and injects that into the U-NET. Each attempt of inference will generate different but similar segmentations from the same distribution of the wildfire event. REFERENCES [1] Coyle, B., Mills, D., Danos, V., & Kashefi, E. (2020). The Born supremacy: quantum advantage and training of an Ising Born machine. npj Quantum Information, 6(1), 1-11. [2] Liu, J. G., & Wang, L. (2018). Differentiable learning of quantum circuit born machines. Physical Review A, 98(6), 062324. [3] Kohl, S., Romera-Paredes, B., Meyer, C., De Fauw, J., Ledsam, J. R., Maier-Hein, K., ... & Ronneberger, O. (2018). A probabilistic u-net for segmentation of ambiguous images. Advances in neural information processing systems, 31.

quantum machine learning↗

A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy

The popularity of crystal plasticity finite element method (CPFEM) models is increasing due to their ability to predict the mechanical response of crystalline materials such as metals and metal alloys more accurately than traditional continuum mechanics models. This is since the crystal plasticity models consider the effect of atomic structure, microstructural morphology, and properties of individual grains. These CPFEM models use a large number of material parameters in order to capture the mesoscale physics which comes with the downside of the tedious calibration process. In this paper, a CPFEM code was developed to include the twinning induced grain reorientation and subsequent crystallographic slip for HPC material. The developed code is incorporated in a large-scale, parallelized nonlinear solver WARP3D. Further, a sensitivity analysis with respect to 22 material parameters was then conducted using single crystal and polycrystal representative volume element (RVE) of Zircaloy material. Loading was applied along five different crystallographic orientations for single crystal RVE and along three directions namely, rolling (RD), transverse (TD), and normal (ND) direction for polycrystal RVE. Results obtained from the sensitivity analysis were used for the calibration of material parameters for Zircaloy. Finally, developed code along with calibrated material parameters was used to investigate the effect of the hydride phase formation in Zircaloy which is a typical case observed for nuclear applications. It was found that the volume fraction of the hydride phase has a significant impact on the mechanical properties of Zircaloy.

36 MATERIALS SCIENCE↗

Turbulence modeling: Near-wall turbulence and effects of rotation on turbulence

Many Reynolds averaged Navier-Stokes solvers use closure models in conjunction with 'the law of the wall', rather than deal with a thin, viscous sublayer near the wall. This work is motivated by the need for better models to compute near wall turbulent flow. The authors use direct numerical simulation of fully developed channel flow and one of three dimensional turbulent boundary layer flow to develop new models. These direct numerical simulations provide detailed data that experimentalists have not been able to measure directly. Another objective of the work is to examine analytically the effects of rotation on turbulence, using Rapid Distortion Theory (RDT). This work was motivated by the observation that the pressure strain models in all current second order closure models are unable to predict the effects of rotation on turbulence.

Shih, T.-H.↗

Aerodynamic design of turbomachinery blading in three-dimensional flow - An application to radial inflow turbines

A computational method, based on a theory for turbomachinery blading design in three-dimensional inviscid flow, is applied to a parametric design study of a radial inflow turbine wheel. As the method requires the specification of swirl distribution, a technique for its smooth generation within the blade region is proposed. Excellent agreements have been obtained between the computed results from this design method and those from direct Euler computations, demonstrating the correspondence and consistency between the two. The computed results indicate the sensitivity of the pressure distribution to a lean in the stacking axis and a minor alteration in the hub/shroud profiles. Analysis based on Navier-Stokes solver shows no breakdown of flow within the designed blade passage and agreement with that from design calculation; thus the flow in the designed turbine rotor closely approximates that of an inviscid one. These calculations illustrate the use of a design method coupled to an analysis tool for establishing guidelines and criteria for designing turbomachinery blading.

Yang, Y. L.↗

On the Spatial and Temporal Accuracy of Overset Grid Methods for Moving Body Problems

A study of numerical attributes peculiar to an overset grid approach to unsteady aerodynamics prediction is presented. Attention is focused on the effect of spatial error associated with interpolation of intergrid boundary conditions and temporal error associated with explicit update of intergrid boundary points on overall solution accuracy. A set of numerical experiments are used to verify whether or not the use of simple interpolation for intergrid boundary conditions degrades the formal accuracy of a conventional second-order flow solver, and to quantify the error associated with explicit updating of intergrid boundary points. Test conditions correspond to the transonic regime. The validity of the numerical results presented here are established by comparison with existing numerical results of documented accuracy, and by direct comparison with experimental results.

Meakin, Robert L.↗

Exploiting Power Flow Manifold to Solve AC Optimal Power Flow

AC optimal power flow has proven difficult to solve with interior point methods on GPUs. This is largely due to challenging linear algebra problems that current state of the art massively parallel linear solvers struggle with. However, the advent of Riemannian optimization techniques and the fact that the power flow equations form a smooth manifold present an alternative approach. In this talk, we present the basics of Riemannian optimization techniques in which optimization is done directly on a manifold. Then we present computational results showing that Riemannian techniques are capable of producing solutions of comparable quality as interior point methods.

AC optimal power flow↗

Computational strategies for three-dimensional flow simulations on distributed computer systems

This research effort is directed towards an examination of issues involved in porting large computational fluid dynamics codes in use within the industry to a distributed computing environment. This effort addresses strategies for implementing the distributed computing in a device independent fashion and load balancing. A flow solver called TEAM presently in use at Lockheed Aeronautical Systems Company was acquired to start this effort. The following tasks were completed: (1) The TEAM code was ported to a number of distributed computing platforms including a cluster of HP workstations located in the School of Aerospace Engineering at Georgia Tech; a cluster of DEC Alpha Workstations in the Graphics visualization lab located at Georgia Tech; a cluster of SGI workstations located at NASA Ames Research Center; and an IBM SP-2 system located at NASA ARC. (2) A number of communication strategies were implemented. Specifically, the manager-worker strategy and the worker-worker strategy were tested. (3) A variety of load balancing strategies were investigated. Specifically, the static load balancing, task queue balancing and the Crutchfield algorithm were coded and evaluated. (4) The classical explicit Runge-Kutta scheme in the TEAM solver was replaced with an LU implicit scheme. And (5) the implicit TEAM-PVM solver was extensively validated through studies of unsteady transonic flow over an F-5 wing, undergoing combined bending and torsional motion. These investigations are documented in extensive detail in the dissertation, 'Computational Strategies for Three-Dimensional Flow Simulations on Distributed Computing Systems', enclosed as an appendix.

Sankar, Lakshmi N.↗

Multigrid approaches to non-linear diffusion problems on unstructured meshes

The efficiency of three multigrid methods for solving highly non-linear diffusion problems on two-dimensional unstructured meshes is examined. The three multigrid methods differ mainly in the manner in which the nonlinearities of the governing equations are handled. These comprise a non-linear full approximation storage (FAS) multigrid method which is used to solve the non-linear equations directly, a linear multigrid method which is used to solve the linear system arising from a Newton linearization of the non-linear system, and a hybrid scheme which is based on a non-linear FAS multigrid scheme, but employs a linear solver on each level as a smoother. Results indicate that all methods are equally effective at converging the non-linear residual in a given number of grid sweeps, but that the linear solver is more efficient in cpu time due to the lower cost of linear versus non-linear grid sweeps.

Mavriplis, Dimitri J.↗

Overcoming timestep limitations in boosted-frame particle-in-cell simulations of plasma-based acceleration

Explicit electromagnetic Particle-In-Cell (PIC) codes are typically limited by the Courant- Friedrichs-Lewy (CFL) condition, which implies that the timestep multiplied by the speed of light must be smaller than the smallest cell size. In the case of boosted-frame PIC simulations of plasma-based acceleration, this limitation can be a major hinderance as the cells are often very elongated along the longitudinal direction and the timestep is thus limited by the small, transverse cell size. This entails many small-timestep PIC iterations, and can limit the potential speed-up of the boosted-frame technique. Here, by using a CFL-free analytical spectral solver, and by mitigating additional numerical instabilities that arise at large timestep, we show that it is possible to overcome traditional limitations on the timestep and thereby realize the full potential of the boosted-frame technique over a much wider range of parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Merger of the Dissolved Gas Method into RELAP5-3D

The Dissolved Gas Model (DGM) was developed for Bettis Atomic Power Laboratory in their own special version of RELAP5-3D known as NUPAC by a subcontractor to. Incorporation of this important code capability in RELAP5-3D was necessary for collaboration between INL and Bettis on future code development efforts. The changes necessary to implement DGM are fundamental, changing the very solver technology at the core of RELAP5-3D, and pervasive, requiring the addition of new subprograms and data, alteration of existing data structures, and modification of more than one hundred subprograms. Moreover, NUPAC and RELAP5-3D had evolved separately and in different directions for a decade and were significantly dissimilar, so the effort was both complex and time-consuming. To ensure its correctness, a large test set comprised thousands of input cases had been constructed and had to run correctly to prove DGM was implemented correctly. A novel method for transporting and adjusting the updates for DGM into RELAP5-3D was undertaken. Tens of thousands of lines of code were either changed or added resulting in a 100% successful implementation of DGM in RELAP5-3D.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗