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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.

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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method

Reverse Osmosis (RO) is a promising technology to address the impending water-crisis in the upcoming decades. RO at high salinities and high pressures is challenging due to membrane compaction that changes its porosity and permeability. In this study, we present a simulation methodology for membrane structural mechanics to understand pore size distribution and permeability variations under high pressure. We use the material point method (MPM), that solves the solid mechanics equations in a Lagrangian framework. MPM provides many features that make it well-suited for simulating mesoporous membranes. The Lagrangian framework allows for large deformations, easy integration of constitutive models and direct import of complex geometries as particles. The spatial discretization in our MPM solver is achieved using linear or cubic-spline shape functions while the time integration is carried out using the explicit Euler method. A series of images containing detailed pore structures obtained from X-ray tomography is first converted to a collection of material points. Compressive loads are applied to the top layer of the membrane to simulate the application of pressure. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compact in detail.

compaction↗
NASA NTRS2021

Transition Analysis for the CRM-NLF Wind Tunnel Configuration using Transport Equation Models and Linear Stability Correlations

Transition models based on auxiliary transport equations augmenting the Reynolds-averaged Navier-Stokes (RANS) framework rely upon transition correlations that were derived from a limited number of low-speed experiments. Furthermore, these models often account for only a subset of the relevant transition mechanisms and/or cannot accurately predict the sensitivity of those mechanisms to the changes in significant flow parameters. A preceding investigation had targeted the assessment of the transport-equation-based transition models in NASA's OVERFLOW 2.3b solver, namely, the amplification factor transport (AFT-2017b) equation model coupled with the Spalart-Allmaras RANS model and the Langtry-Menter transition models (LM2009 without crossflow effects and LM2015 including the modeling of crossflow transition) implemented with Menter’s shear-stress transport equation (SST2003) RANS model. Comparisons with recent measurements at transonic freestream conditions on the Common Research Model with Natural Laminar Flow (CRM-NLF) reinforced our earlier finding that all three of the above models significantly underpredict the reported extent of the laminar flow region over the entire span of the wing, regardless of the dominant instability mechanism(s) underlying the onset of the transition process. The underprediction of the laminar flow extent was attributed to the failure of the above models in accounting for the stabilizing effect of compressibility on the amplification of Tollmien-Schlichting instabilities. Based on previous linear stability studies related to compressibility effects, the present work proposes modifications to the two classes of transition models that reduce to the original form of each model at low subsonic speeds and do not require any nonlocal flow information or additional transport equation(s). The modifications are shown to significantly improve the predicted laminar extent of the flow and compare well against the data from the CRM-NLF experiment. Additionally, a previous assessment of transition prediction based on the dual, nonparallel N -factor method in conjunction with linear parabolized stability equations (PSE) is extended to additional angles of attack to provide the first comprehensive assessment of transition models based on nonparallel disturbance amplification over the CRM-NLF. In general, the transition criterion based on the dual, nonparallel N-factor method with N TS = N CF = 6 is reasonably successful at correlating with the measured transition fronts at R eMAC = 15 million for all angles of attack investigated herein and provides additional validation of the improved predictions from the compressibility-corrected transition models.

CFD modeling↗
NASA NTRS2022

Transition Analysis for the CRM-NLF Wind Tunnel Configuration using Transport Equation Models and Linear Stability Correlations

Transition models based on auxiliary transport equations augmenting the Reynolds-averaged Navier-Stokes (RANS) framework rely upon transition correlations that were derived from a limited number of low-speed experiments. Furthermore, these models often account for only a subset of the relevant transition mechanisms and/or cannot accurately predict the sensitivity of those mechanisms to the changes in significant flow parameters. A preceding investigation had targeted the assessment of the transport-equation-based transition models in NASA's OVERFLOW 2.3b solver, namely, the amplification factor transport (AFT-2017b) equation model coupled with the Spalart-Allmaras RANS model and the Langtry-Menter transition models (LM2009 without crossflow effects and LM2015 including the modeling of crossflow transition) implemented with Menter’s shear-stress transport equation (SST2003) RANS model. Comparisons with recent measurements at transonic freestream conditions on the Common Research Model with Natural Laminar Flow (CRM-NLF) reinforced our earlier finding that all three of the above models significantly underpredict the reported extent of the laminar flow region over the entire span of the wing, regardless of the dominant instability mechanism(s) underlying the onset of the transition process. The underprediction of the laminar flow extent was attributed to the failure of the above models in accounting for the stabilizing effect of compressibility on the amplification of Tollmien-Schlichting instabilities. Based on previous linear stability studies related to compressibility effects, the present work proposes modifications to the two classes of transition models that reduce to the original form of each model at low subsonic speeds and do not require any nonlocal flow information or additional transport equation(s). The modifications are shown to significantly improve the predicted laminar extent of the flow and compare well against the data from the CRM-NLF experiment. Additionally, a previous assessment of transition prediction based on the dual, nonparallel N -factor method in conjunction with linear parabolized stability equations (PSE) is extended to additional angles of attack to provide the first comprehensive assessment of transition models based on nonparallel disturbance amplification over the CRM-NLF. In general, the transition criterion based on the dual, nonparallel N-factor method with N TS = N CF = 6 is reasonably successful at correlating with the measured transition fronts at R eMAC = 15 million for all angles of attack investigated herein and provides additional validation of the improved predictions from the compressibility-corrected transition models.

CFD modeling↗
DOE OSTI2020

A Scalable Multigrid Reduction Framework for Multiphase Poromechanics of Heterogeneous Media

Simulation of multiphase poromechanics involves solving a multiphysics problem in which multiphase flow and transport are tightly coupled with the porous medium deformation. To capture this dynamic interplay, fully implicit methods, also known as monolithic approaches, are usually preferred. The main bottleneck of a monolithic approach is that it requires solution of large linear systems that result from the discretization and linearization of the governing balance equations. Because such systems are nonsymmetric, indefinite, and highly ill-conditioned, preconditioning is critical for fast convergence. Recently, most efforts in designing efficient preconditioners for multiphase poromechanics have been dominated by physics-based strategies. Current state-of-the-art “black-box” solvers such as algebraic multigrid (AMG) are ineffective because they cannot effectively capture the strong coupling between the mechanics and the flow subproblems, as well as the coupling inherent in the multiphase flow and transport process. In this work, we develop an algebraic framework based on multigrid reduction (MGR) that is suited for tightly coupled systems of PDEs. Using this framework, the decoupling between the equations is done algebraically through defining appropriate interpolation and restriction operators. One can then employ existing solvers for each of the decoupled blocks or design a new solver based on knowledge of the physics. We demonstrate the applicability of our framework when used as a “black-box” solver for multiphase poromechanics. Here, we show that the framework is flexible to accommodate a wide range of scenarios, as well as efficient and scalable for large problems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

A staggered mesh finite difference scheme for the computation of compressible flows

A simple high resolution finite difference technique is presented to approximate weak solutions to hyperbolic systems of conservation laws. The method does not rely on Riemann problem solvers and is therefore easy to extend to a wide variety of problems. The overall performance (resolution and CPU requirements) is competitive, with other state-of-the-art techniques offering sharp nonoscillatory shocks and contacts. Theoretical results confirm the reliability of the approach for linear systems and nonlinear scalar equations.

Sanders, Richard↗
DOE OSTI2022

MFIX-Exa: Performance prediction of multiphase energy conversion devices

MFIX-Exa targets the high-fidelity CFD-DEM model in which particles are unresolved by the fluid grid (typically using a fluid mesh approximately twice the particle diameter) but discrete particle dynamics including collisions are resolved with a simple linear-spring dashpot model. The fluid field is solved with a modern low Mach number formation of a cell-centered, nodal-pressure approximate projection method using a Godunov scheme . Physics capabilities include: complex geometries via embedded boundaries (EBs), open and closed system ideal gas equations of state, species transport and heterogeneous chemi- cal reactions. MFIX-Exa is built on the AMReX software framework, the ECP Block-Structured Adaptive Mesh Refinement (AMR) Co-Design Center, which allows the code to be portable and performant.Further integration into the ECP ecosystem includes HYPRE linear solvers and Ascent for in situ visualization. Current project efforts focus on scaling up realistic simulations to the KPP of the challenge problem: NETs 50kW chemical looping reactor, shakedown and scaling on JSLE and OLCF TDS systems and reaching for any remaining performance improvements.

Musser, Jordan↗
DOE OSTI2017

Approximate tensor-product preconditioners for very high order discontinuous Galerkin methods

In this study, we develop a new tensor-product based preconditioner for discontinuous Galerkin methods with polynomial degrees higher than those typically employed. This preconditioner uses an automatic, purely algebraic method to approximate the exact block Jacobi preconditioner by Kronecker products of several small, one-dimensional matrices. Traditional matrix-based preconditioners require O ( p 2d ) storage and O ( p 3d ) computational work, where p is the degree of basis polynomials used, and d is the spatial dimension. Our SVD-based tensor-product preconditioner requires O ( p d+1 ) storage, O ( p d+1 ) work in two spatial dimensions, and O ( p d+2 ) work in three spatial dimensions. Combined with a matrix-free Newton–Krylov solver, these preconditioners allow for the solution of DG systems in linear time in p per degree of freedom in 2D, and reduce the computational complexity from O ( p 9 ) to O ( p 5 ) in 3D. Numerical results are shown in 2D and 3D for the advection, Euler, and Navier–Stokes equations, using polynomials of degree up to p = 30. For many test cases, the preconditioner results in similar iteration counts when compared with the exact block Jacobi preconditioner, and performance is significantly improved for high polynomial degrees p .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Review and analysis of dense linear system solver package for distributed memory machines

A dense linear system solver package recently developed at the University of Texas at Austin for distributed memory machine (e.g. Intel Paragon) has been reviewed and analyzed. The package contains about 45 software routines, some written in FORTRAN, and some in C-language, and forms the basis for parallel/distributed solutions of systems of linear equations encountered in many problems of scientific and engineering nature. The package, being studied by the Computer Applications Branch of the Analysis and Computation Division, may provide a significant computational resource for NASA scientists and engineers in parallel/distributed computing. Since the package is new and not well tested or documented, many of its underlying concepts and implementations were unclear; our task was to review, analyze, and critique the package as a step in the process that will enable scientists and engineers to apply it to the solution of their problems. All routines in the package were reviewed and analyzed. Underlying theory or concepts which exist in the form of published papers or technical reports, or memos, were either obtained from the author, or from the scientific literature; and general algorithms, explanations, examples, and critiques have been provided to explain the workings of these programs. Wherever the things were still unclear, communications were made with the developer (author), either by telephone or by electronic mail, to understand the workings of the routines. Whenever possible, tests were made to verify the concepts and logic employed in their implementations. A detailed report is being separately documented to explain the workings of these routines.

Narang, H. N.↗
NASA NTRS2025

PSE-Based Aerodynamic Flow Transition Prediction Using Automated Unstructured CFD Integration

Accurate, robust, and efficient prediction of transition in viscous flows is a significant challenge in computational fluid dynamics. We present a coupled, high-fidelity, iterative approach that leverages the FUN3D flow solver and the LASTRAC stability code to predict transition in low-disturbance environments, initiated by the linear growth of boundary-layer instability modes. Our method integrates the ability of FUN3D to compute mixed laminar-transitional-turbulent mean flows via transition-sensitized Reynolds-Averaged Navier-Stokes equations with the ability of LASTRAC to perform linear stability analysis, all within an automated framework that requires no intermediate user involvement. Unlike conventional frameworks that rely on classical stability theory or reduced-order metamodels, our approach employs the parabolized stability equations to provide more accurate and reliable estimates of disturbance growth for multiple instability mechanisms, including Tollmien-Schlichting, Kelvin-Helmholtz, and crossflow modes. By accounting for the effects of mean-flow nonparallelism as well as the surface curvature, this approach lays the foundation for improved N-factor correlations for transition onset prediction in a broad class of flows. We apply this method to three distinct flow configurations: 1) flow over a zero-pressure-gradient flat plate, 2) the NLF-0416 airfoil with both natural and separation-induced transitions, and 3) a 6:1 prolate spheroid, where transition is primarily driven by crossflow instability. For the two-dimensional cases, a formulated intermittency distribution is used to model the transition zone in between the laminar and fully turbulent flows. The results include comparisons with experimental measurements, similar numerical approaches, and transport-equations-based models, demonstrating good agreement in surface pressure coefficients, transition onset locations, and skin-friction coefficients for all three configurations. Besides contributing a couple of new insights into boundary-layer transition in these canonical cases, this study provides a powerful tool for transition modeling in both research and design applications in aerodynamics.

Transition Prediction↗
DOE OSTI2022

Advanced Quantum Poisson Solver in the NISQ era

The Poisson equation has many applications across the broad areas of science and engineering. Most quantum algorithms for the Poisson solver presented so far, either suffer from lack of accuracy and/or are limited to very small sizes of the problem, and thus have no practical usage. Here we present an advanced quantum algorithm for solving the Poisson equation with high accuracy and dynamically tunable problem size. After converting the Poisson equation to the linear systems through the finite difference method, we adopt the Harrow-Hassidim-Lloyd (HHL) algorithm as the basic framework. Particularly, in this work we present an advanced circuit that ensures the accuracy of the solution by implementing non-truncated eigenvalues through eigenvalue amplification as well as by increasing the accuracy of the controlled rotation angular coefficients, which are the critical factors in the HHL algorithm. We show that our algorithm not only increases the accuracy of the solutions, but also composes more practical and scalable circuits by dynamically controlling problem size in the NISQ devices. We present both simulated and experimental results, and discuss the sources of errors. Finally, we conclude that overall results on the quantum hardware are dominated by the error in the CNOT gates.

Robson, Walter↗
DOE OSTI2024

Georgia Tech Accelerated, Compressed, and Regularized Compute of Kinetic-based PDEs (Final Report)

This report summarizes the collaborative effort between Lawrence Livermore National Laboratory and Georgia Tech to enhance the BoBa library for tensor train computation in PDE solvers, with a target on kinetic equations and their continuum limits. We aimed to reduce computational cost and memory usage by replacing traditional array-based computations with tensor trains. We examined the compressibility of time-evolving solutions to the Euler equations with discontinuities. We also explored using the first invsicid and linear regularization of the compressible flow equations via the information geometric regularization (IGR). We explored this in a tensor train formulation. To identify that inverse terms in the IGR equations pose problems for tensor train formulations and investigate efficient methods for batched inversion of tensor trains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

HFEM3D

Software solves the three-dimensional Poisson equation div(k(grad(u)) = f, by the finite element method for the case when material properties, k, are distributed over hierarchy of edges, facets and tetrahedra in the finite element mesh. Method is described in Weiss, CJ, Finite element analysis for model parameters distributed on a hierarchy of geometric simplices, Geophysics, v82, E155-167, doi:10.1190/GEO2017-0058.1 (2017). A standard finite element method for solving Poisson’s equation is augmented by including in the 3D stiffness matrix additional 2D and 1D stiffness matrices representing the contributions from material properties associated with mesh faces and edges, respectively. The resulting linear system is solved iteratively using the conjugate gradient method with Jacobi preconditioning. To minimize computer storage for program execution, the linear solver computes matrix-vector contractions element-by-element over the mesh, without explicit storage of the global stiffness matrix. Program output vtk compliant for visualization and rendering by 3rd party software. Program uses dynamic memory allocation and as such there are no hard limits on problem size outside of those imposed by the operating system and configuration on which the software is run. Dimension, N, of the finite element solution vector is constrained by the the addressable space in 32-vs-64 bit operating systems. Total storage requirements for the problem. Total working space required for the program is approximately 13*N double precision words.

Weiss, Chester J↗
NASA NTRS2008

The Adaptively-Refined MHD Solver (ARMS)

ARMS is a robust code for solving the single-fluid, fully compressible equations of magnetohydrodynamics. In this presentation I will describe how to access and run ARMS and how to use HelioSpace to analyze the results. The main features of the code are the following: 1. Equations are solved in either Cartesian or Spherical coordinates. For the latter, either a linear or a Log(r) coordinate can be used. 2. The latest flux-corrected-transport schemes developed at NRZ, are used to advance the convective equations. All waves and shocks are accurately captured. 3. A fully adaptive grid can be used. The code incorporates the PARAMESH technology for block-adaptation. Arbitrary adaptation criteria can be specified. 4. The code maintains a divergence-free magnetic field to machine accuracy throughout all refinement and de-refinement. 5. A uniform resistivity and thermal conduction can be included. Solution is either explicit or implicit. 6. Arbitrary boundary and initial conditions can be used in either Cartesian or spherical coordinates. 7. An accompanying visualization package, HelioSpace, is available for viewing and analyzing the native ARMS output, (without need for interpolating onto a structured grid).

Antichos, S. K.↗
DOE OSTI2017

Stage-parallel fully implicit Runge–Kutta solvers for discontinuous Galerkin fluid simulations

In this paper, we develop new techniques for solving the large, coupled linear systems that arise from fully implicit Runge–Kutta methods. This method makes use of the iterative preconditioned GMRES algorithm for solving the linear systems, which has seen success for fluid flow problems and discontinuous Galerkin discretizations. By transforming the resulting linear system of equations, one can obtain a method which is much less computationally expensive than the untransformed formulation, and which compares competitively with other time-integration schemes, such as diagonally implicit Runge–Kutta (DIRK) methods. We develop and test several ILU-based preconditioners effective for these large systems. We additionally employ a parallel-in-time strategy to compute the Runge–Kutta stages simultaneously. Numerical experiments are performed on the Navier–Stokes equations using Euler vortex and 2D and 3D NACA airfoil test cases in serial and in parallel settings. In conclusion, the fully implicit Radau IIA Runge–Kutta methods compare favorably with equal-order DIRK methods in terms of accuracy, number of GMRES iterations, number of matrix–vector multiplications, and wall-clock time, for a wide range of time steps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Multidimensional Tests of a Finite-Volume Solver for MHD With a Real-Gas Equation of State

This work considers two algorithms of a finite-volume solver for the MHD equations with a real-gas equation of state (EOS). Both algorithms use a multistate form of Harten-Lax-Van Leer approximate Riemann solver as formulated for MHD discontinuities. This solver is modified to use the generalized sound speed from the real-gas EOS. Two methods are tested: EOS evaluation at cell centers and at flux interfaces where the former is more computationally efficient. A battery of 1D and 2D tests are employed: convergence of 1D and 2D linearized waves, shock tube Riemann problems, a 2D nonlinear circularly polarized Alfvén wave, and a 2D magneto-Rayleigh-Taylor instability test. The cell-centered EOS evaluation algorithm produces unresolvable thermodynamic inconsistencies in the intermediate states leading to spurious solutions while the flux-interface EOS evaluation algorithm robustly produces the correct solution. The linearized wave tests show this inconsistency is associated with the magnetosonic waves and the magneto-Rayleigh-Taylor instability test demonstrates simulation findings where the spurious solution leads to an unphysical simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Simulation of nonlinear propagation of biomedical ultrasound using PZFlex and the KZK Texas code

In biomedical ultrasound nonlinear acoustics can be important in both diagnostic and therapeutic applications and robust simulations tools are needed in the design process but also for day-to-day use such as treatment planning. For most biomedical application the ultrasound sources generate focused sound beams of finite amplitude. The KZK equation is a common model as it accounts for nonlinearity, absorption and paraxial diffraction and there are a number of solvers available, primarily developed by research groups. We compare the predictions of the KZK Texas code (a finite-difference time-domain algorithm) to an FEM-based commercial software, PZFlex. PZFlex solves the continuity equation and momentum conservation equation with a correction for nonlinearity in the equation of state incorporated using an incrementally linear, 2nd order accurate, explicit algorithm in time domain. Nonlinear ultrasound beams from two transducers driven at 1 MHz and 3.3 MHz respectively were simulated by both the KZK Texas code and PZFlex, and the pressure field was also measured by a fibre-optic hydrophone to validate the models. Further simulations were carried out a wide range of frequencies. The comparisons showed good agreement for the fundamental frequency for PZFlex, the KZK Texas code and the experiments. For the harmonic components, the KZK Texas code was in good agreement with measurements but PZFlex underestimated the amplitude: 32% for the 2nd harmonic and 66% for the 3rd harmonic. The underestimation of harmonics by PZFlex was more significant when the fundamental frequency increased. Furthermore non-physical oscillations in the axial profile of harmonics occurred in the PZFlex results when the amplitudes were relatively low. These results suggest that careful benchmarking of nonlinear simulations is important.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Spectral Galerkin solver for intense beam Vlasov equilibria in nonlinear constant focusing channels

Here a numerical method is described for producing stationary solutions of the Vlasov-Poisson system describing a relativistic charged-particle beam in a constant focusing accelerator channel, confined transversely by a general (linear or nonlinear) focusing potential. The method utilizes a variant of the spectral Galerkin algorithm to solve a nonlinear partial differential equation (PDE) in two degrees of freedom for the beam space charge potential in equilibrium. Numerical convergence with an increasing number of computed spectral modes is investigated for several benchmark problems. Preservation of the stationary phase space density is verified using a strongly nonlinear focusing channel based on the Integrable Optics Test Accelerator at Fermi National Accelerator Laboratory.

43 PARTICLE ACCELERATORS↗