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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Unsteady Analysis of Separated Aerodynamic Flows Using an Unstructured Multigrid Algorithm

An implicit method for the computation of unsteady flows on unstructured grids is presented. The resulting nonlinear system of equations is solved at each time step using an agglomeration multigrid procedure. The method allows for arbitrarily large time steps and is efficient in terms of computational effort and storage. Validation of the code using a one-equation turbulence model is performed for the well-known case of flow over a cylinder. A Detached Eddy Simulation model is also implemented and its performance compared to the one equation Spalart-Allmaras Reynolds Averaged Navier-Stokes (RANS) turbulence model. Validation cases using DES and RANS include flow over a sphere and flow over a NACA 0012 wing including massive stall regimes. The project was driven by the ultimate goal of computing separated flows of aerodynamic interest, such as massive stall or flows over complex non-streamlined geometries.

Pelaez, Juan↗
NASA NTRS1995

Analysis of composite ablators using massively parallel computation

In this work, the feasibility of using massively parallel computation to study the response of ablative materials is investigated. Explicit and implicit finite difference methods are used on a massively parallel computer, the Thinking Machines CM-5. The governing equations are a set of nonlinear partial differential equations. The governing equations are developed for three sample problems: (1) transpiration cooling, (2) ablative composite plate, and (3) restrained thermal growth testing. The transpiration cooling problem is solved using a solution scheme based solely on the explicit finite difference method. The results are compared with available analytical steady-state through-thickness temperature and pressure distributions and good agreement between the numerical and analytical solutions is found. It is also found that a solution scheme based on the explicit finite difference method has the following advantages: incorporates complex physics easily, results in a simple algorithm, and is easily parallelizable. However, a solution scheme of this kind needs very small time steps to maintain stability. A solution scheme based on the implicit finite difference method has the advantage that it does not require very small times steps to maintain stability. However, this kind of solution scheme has the disadvantages that complex physics cannot be easily incorporated into the algorithm and that the solution scheme is difficult to parallelize. A hybrid solution scheme is then developed to combine the strengths of the explicit and implicit finite difference methods and minimize their weaknesses. This is achieved by identifying the critical time scale associated with the governing equations and applying the appropriate finite difference method according to this critical time scale. The hybrid solution scheme is then applied to the ablative composite plate and restrained thermal growth problems. The gas storage term is included in the explicit pressure calculation of both problems. Results from ablative composite plate problems are compared with previous numerical results which did not include the gas storage term. It is found that the through-thickness temperature distribution is not affected much by the gas storage term. However, the through-thickness pressure and stress distributions, and the extent of chemical reactions are different from the previous numerical results. Two types of chemical reaction models are used in the restrained thermal growth testing problem: (1) pressure-independent Arrhenius type rate equations and (2) pressure-dependent Arrhenius type rate equations. The numerical results are compared to experimental results and the pressure-dependent model is able to capture the trend better than the pressure-independent one. Finally, a performance study is done on the hybrid algorithm using the ablative composite plate problem. It is found that there is a good speedup of performance on the CM-5. For 32 CPU's, the speedup of performance is 20. The efficiency of the algorithm is found to be a function of the size and execution time of a given problem and the effective parallelization of the algorithm. It also seems that there is an optimum number of CPU's to use for a given problem.

Shia, David↗
DOE OSTI2021

Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models

The solvation properties of molecules, often estimated using quantum chemical simulations, are important in the synthesis of energy storage materials, drugs, and industrial chemicals. Here, we develop machine learning models of solvation energies to replace expensive quantum chemistry calculations with inexpensive-to-compute message-passing neural network models that require only the molecular graph as inputs. Our models are trained on a new database of solvation energies for 130,258 molecules taken from the QM9 dataset computed in five solvents (acetone, ethanol, acetonitrile, dimethyl sulfoxide, and water) via an implicit solvent model. Our best model achieves a mean absolute error of 0.5 kcal/mol for molecules with nine or fewer non-hydrogen atoms and 1 kcal/mol for molecules with between 10 and 14 non-hydrogen atoms. We make the entire dataset of 651,290 computed entries openly available and provide simple web and programmatic interfaces to enable others to run our solvation energy model on new molecules. This model calculates the solvation energies for molecules using only the SMILES string and also provides an estimate of whether each molecule is within the domain of applicability of our model. We envision that the dataset and models will provide the functionality needed for the rapid screening of large chemical spaces to discover improved molecules for many applications.

25 ENERGY STORAGE↗
NASA NTRS1985

Three dimensional CSCM method for the compressible Navier-Stokes equations with application to a multi-nozzle exhaust flowfield

The effective design of three-dimensional flow systems such as a clustered multinozzle shrouded exhaust system requires detailed analysis of the internal flowfield. It is pointed out that new numerical techniques on the most modern vector computers are making these analyses practicable. In this paper, the upwind differenced implicit conservative supracharacteristics method (CSCM) for three-dimensional viscous flow is presented. The new method is an implicit 'method of planes' symmetric Gauss-Seidel relaxation scheme. The data is conveniently stored on successive planes along the streamwise coordinate, and the system of equations is solved twice in each successive plane of the streamwise coordinate. The developed new three-dimensional compressible Navier-Stokes algorithm combines the best features of the storage and computationally efficient space marching procedures with the generality of time dependent techniques to solve flows with elliptic and streamwise separated flows.

Bardina, J.↗
NASA NTRS1988

Improved 3-D turbomachinery CFD algorithm

The building blocks of a computer algorithm developed for the time-accurate flow analysis of rotating machines are described. The flow model is a finite volume method utilizing a high resolution approximate Riemann solver for interface flux definitions. This block LU implicit numerical scheme possesses apparent unconditional stability. Multi-block composite gridding is used to orderly partition the field into a specified arrangement. Block interfaces, including dynamic interfaces, are treated such as to mimic interior block communication. Special attention is given to the reduction of in-core memory requirements by placing the burden on secondary storage media. Broad applicability is implied, although the results presented are restricted to that of an even blade count configuration. Several other configurations are presently under investigation, the results of which will appear in subsequent publications.

Janus, J. Mark↗
DOE OSTI2020

CU-BENs: A structural modeling finite element library

The present work discusses capabilities within the finite element library CU-BENs. CU-BENs focuses on applying the finite element method to structural mechanics problems encountered within the context of inverse problems and partitioned fluid–structure interaction; thus element formulations are primarily of a structural type — truss, frame, and triangular discrete Kirchhoff theory shells. CU-BENs defaults to the skyline sparse storage scheme for the system matrix, but also supports other storage schemes when using external libraries such as LAPACK and UMFPACK. CU-BENs includes built-in nonlinear solution strategies, such as the Newton Raphson method and modified spherical arc length method, that are available within static analyses as well within the context of transient dynamic analyses involving a generalized-α implementation of the Newmark implicit time integration scheme.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Implicit method for the computation of unsteady flows on unstructured grids

An implicit method for the computation of unsteady flows on unstructured grids is presented. Following a finite difference approximation for the time derivative, the resulting nonlinear system of equations is solved at each time step by using an agglomeration multigrid procedure. The method allows for arbitrarily large time steps and is efficient in terms of computational effort and storage. Inviscid and viscous unsteady flows are computed to validate the procedure. The issue of the mass matrix which arises with vertex-centered finite volume schemes is addressed. The present formulation allows the mass matrix to be inverted indirectly. A mesh point movement and reconnection procedure is described that allows the grids to evolve with the motion of bodies. As an example of flow over bodies in relative motion, flow over a multi-element airfoil system undergoing deployment is computed.

Venkatakrishnan, V.↗
DOE OSTI2024

Simulation of Multiphase Flow and Poromechanical Effects Around Injection Wells in CO 2 Storage Sites

In geological CO 2 storage operations, wellbore deformations and leakage pathways formations can occur around injection and abandoned wells subjected to high rates and long-term CO 2 injection. To guide engineering design and prevent CO 2 leakage risks, a full understanding of the underlying physics and robust numerical models is necessary to evaluate the response of underground formations in the near wellbore region and in the reservoir. In this study, a multi-scale and multi-physics open-source simulator (GEOS) is used to simulate multiphase flow and poromechanical deformations over time in three dimensions. The governing equations for mechanical deformations of the rock body and multiphase compositional fluid flow within the rock matrix are solved with a fully coupled finite element and finite volume approach. The Drucker–Prager model with friction hardening is applied to simulate elastoplastic deformation and a multiphase fluid model with power-law correlations for relative permeability is used to model the migration of CO 2 plume, which are coupled with numerical implicit scheme. Simulation results are verified against multiple analytical solutions for multiphase flow and wellbore problems, thus demonstrating the accuracy of this advanced simulator. In two engineering applications, here we highlight the impact of elastoplastic deformation and coupled modeling for assessing induced displacements and stress perturbations, which are more pronounced in the near wellbore regions. This work focuses on short-term processes in the vicinity of injection wells where stress evolutions, rock deformations and multiphase compositional flow and transport are simulated jointly to ensure wellbore stability and prevent damage. This fully coupled geomechanical model can simulate multiphase flow and any associated poromechanical effects within the CO 2 storage site and in the surrounding formations. Such a large-scale, long-term, multi-physics simulation model is useful in many ways: it can guide operational decisions for CO 2 injection, assess the containment potential and risks of a site, and analyze the wellbore stability and integrity during and after CO 2 injection.

58 GEOSCIENCES↗
NASA NTRS1990

Twin-page storage management for rapid transaction-undo recovery

This paper presents and evaluates a new twin-page disk-storage management scheme for rapid database transaction-undo recovery. In contrast to previous twin-page schemes, the present approach uses static page mapping and allows dirty pages in the main memory to be written, at any instant, onto disk without the requirement of undo logging. No explicit undo is required when a transaction is aborted. Transaction undo is implicitly performed by not subsequently fetching from disk the invalid pages updated by the aborted transaction. Performance in terms of disk I/O and CPU overhead for transaction-undo recovery is analyzed and compared with a previous approach TWIST. It is shown that the scheme achieves rapid transaction-undo recovery without degrading average system performance for various workloads, and that the scheme is well suited for applications with a large number of updates and frequent transaction aborts.

Wu, Kun-Lung↗
NASA NTRS2002

Higher Order Time Integration Schemes for the Unsteady Navier-Stokes Equations on Unstructured Meshes

The efficiency gains obtained using higher-order implicit Runge-Kutta schemes as compared with the second-order accurate backward difference schemes for the unsteady Navier-Stokes equations are investigated. Three different algorithms for solving the nonlinear system of equations arising at each timestep are presented. The first algorithm (NMG) is a pseudo-time-stepping scheme which employs a non-linear full approximation storage (FAS) agglomeration multigrid method to accelerate convergence. The other two algorithms are based on Inexact Newton's methods. The linear system arising at each Newton step is solved using iterative/Krylov techniques and left preconditioning is used to accelerate convergence of the linear solvers. One of the methods (LMG) uses Richardson's iterative scheme for solving the linear system at each Newton step while the other (PGMRES) uses the Generalized Minimal Residual method. Results demonstrating the relative superiority of these Newton's methods based schemes are presented. Efficiency gains as high as 10 are obtained by combining the higher-order time integration schemes with the more efficient nonlinear solvers.

Jothiprasad, Giridhar↗
DOE OSTI2025

Sylvester-preconditioned adaptive-rank implicit time integrators for advection-diffusion equations with variable coefficients

Here, we consider the adaptive-rank integration of multi-dimensional time-dependent advection-diffusion partial differential equations (PDEs) with variable coefficients. We employ a standard finite-difference method for spatial discretization coupled with high-order diagonally implicit Runge-Kutta temporal schemes. The discrete equation is a generalized Sylvester equation (GSE), which we solve with a projection-based adaptive-rank algorithm structured around two key strategies: (i) constructing dimension-wise subspaces using a novel atypical extended Krylov strategy, and (ii) efficiently solving the basis coefficient matrix with a preconditioned GMRES solver. The low-rank decomposition is performed in 2D using SVD and with high-order SVD (HOSVD) in 3D to represent the tensor in a compressed Tucker format. For d-dimensional problems (here, d = 2 or 3), the computational complexity and memory storage of the approach are found numerically to scale as and $\mathscr{O}(Nr^2) + \mathscr{O} (r^{d+1})$ and $\mathscr{O}(Nr) + \mathscr{O} (r^{d})$, respectively, with the one-dimensional resolution and the maximal rank during the Krylov iteration (which we find to be largely independent of on our numerical examples). We present numerical examples that illustrate the advertised properties of the algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A framework to evaluate IMEX schemes for atmospheric models

We present a new evaluation framework for implicit and explicit (IMEX) Runge–Kutta time-stepping schemes. The new framework uses a linearized nonhydrostatic system of normal modes. We utilize the framework to investigate the stability of IMEX methods and their dispersion and dissipation of gravity, Rossby, and acoustic waves. We test the new framework on a variety of IMEX schemes and use it to develop and analyze a set of second-order low-storage IMEX Runge–Kutta methods with a high Courant–Friedrichs–Lewy (CFL) number. We show that the new framework is more selective than the 2-D acoustic system previously used in the literature. Schemes that are stable for the 2-D acoustic system are not stable for the system of normal modes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

A computer program for the geometrically nonlinear static and dynamic analysis of arbitrarily loaded shells of revolution, theory and users manual

A digital computer program known as SATANS (static and transient analysis, nonlinear, shells) for the geometrically nonlinear static and dynamic response of arbitrarily loaded shells of revolution is presented. Instructions for the preparation of the input data cards and other information necessary for the operation of the program are described in detail and two sample problems are included. The governing partial differential equations are based upon Sanders' nonlinear thin shell theory for the conditions of small strains and moderately small rotations. The governing equations are reduced to uncoupled sets of four linear, second order, partial differential equations in the meridional and time coordinates by expanding the dependent variables in a Fourier sine or cosine series in the circumferential coordinate and treating the nonlinear modal coupling terms as pseudo loads. The derivatives with respect to the meridional coordinate are approximated by central finite differences, and the displacement accelerations are approximated by the implicit Houbolt backward difference scheme with a constant time interval. The boundaries of the shell may be closed, free, fixed, or elastically restrained. The program is coded in the FORTRAN 4 language and is dimensioned to allow a maximum of 10 arbitrary Fourier harmonics and a maximum product of the total number of meridional stations and the total number of Fourier harmonics of 200. The program requires 155,000 bytes of core storage.

Ball, R. E.↗
NASA NTRS1977

An implicit factored scheme for the compressible Navier-Stokes equations

An implicit finite difference scheme is developed for the numerical solution of the compressible Navier-Stokes equations in conservation-law form. The algorithm is second-order-time accurate, noniterative, and spatially factored. In order to obtain an efficient factored algorithm, the spatial cross-derivatives are evaluated explicitly. However, the algorithm is unconditionally stable and, although a three-time-level scheme, requires only two-time-levels of data storage. The algorithm is constructed in a 'delta' form (i.e., increments of the conserved variables and fluxes) that provides a direct derivation of the scheme and leads to an efficient computational algorithm. In addition, the delta form has the advantageous property of a steady-state (if one exists) independent of the size of the time step. Numerical results are presented for a two-dimensional shock boundary-layer interaction problem.

Beam, R. M.↗
DOE OSTI2024

FARM supervisory capabilities for thermal energy storage

The FARM (Feasible Actuator Range Modifier) module is a component of the RAVEN-based FORCE framework for the analysis of Integrated Energy Systems (IES). FARM aids HERON in the solution of the power dispatch problem by evaluating feasible set-point signals to be issued to the control systems of the different IES unit components. Set-points need to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). To enforce all these limits, a two-stage approach is adopted. First, the power dispatcher algorithm in HERON module estimates set-points that meet the constraints on the production variables, e.g., power levels and power ramp rate limits. These constraints are called explicit constraints. Then, if necessary, FARM adjusts these set-points to ensure the respect of the limits on the process variables of interest, given the knowledge of the system dynamics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). In this report, an overview of the major capabilities of the latest release of FARM is provided, along with a summary of the tool demonstration campaign conducted at the Dynamic Energy Technology and Integration Laboratory (DETAIL) facility. These results assess the performance of the control system architecture embedding FARM both as a Validator of the HERON power dispatcher and as a real time Supervisory control scheme. Additionally, the report outlines the areas that FARM might benefit from, along with proposed solutions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2015

Numerical Investigation of Microgravity Tank Pressure Rise Due to Boiling

The ability to control self-pressurization in cryogenic storage tanks is essential for NASAs long-term space exploration missions. Predictions of the tank pressure rise in Space are needed in order to inform the microgravity design and optimization process. Due to the fact that natural convection is very weak in microgravity, heat leaks into the tank can create superheated regions in the liquid. The superheated regions can instigate microgravity boiling, giving rise to pressure spikes during self-pressurization. In this work, a CFD model is developed to predict the magnitude and duration of the microgravity pressure spikes. The model uses the Schrage equation to calculate the mass transfer, with a different accommodation coefficient for evaporation at the interface, condensation at the interface, and boiling in the bulk liquid. The implicit VOF model was used to account for the moving interface, with bounded second order time discretization. Validation of the models predictions was carried out using microgravity data from the Tank Pressure Control Experiment, which flew aboard the Space Shuttle Mission STS-52. Although this experiment was meant to study pressurization and pressure control, it underwent boiling during several tests. The pressure rise predicted by the CFD model compared well with the experimental data. The ZBOT microgravity experiment is scheduled to fly on February 2016 aboard the ISS. The CFD model was also used to perform simulations for setting parametric limits for the Zero-Boil-Off Tank (ZBOT) Experiments Test Matrix in an attempt to avoid boiling in the majority of the test runs that are aimed to study pressure increase rates during self-pressurization. *Supported in part by NASA ISS Physical Sciences Research Program, NASA HQ, USA

pressure rise↗
DOE OSTI2025

Optimising the processing and storage of visibilities using lossy compression

The next-generation radio astronomy instruments are providing a massive increase in sensitivity and coverage, largely through increasing the number of stations in the array and the frequency span sampled. The two primary problems encountered when processing the resultant avalanche of data are the need for abundant storage and the constraints imposed by I/O, as I/O bandwidths drop significantly on cold storage. An example of this is the data deluge expected from the SKA Telescopes of more than 60 PB per day, all to be stored on the buffer filesystem. While compressing the data is an obvious solution, the impacts on the final data products are hard to predict. In this paper, we chose an error-controlled compressor – MGARD – and applied it to simulated SKA-Mid and real pathfinder visibility data, in noise-free and noise-dominated regimes. As the data have an implicit error level in the system temperature, using an error bound in compression provides a natural metric for compression. MGARD ensures the compression incurred errors adhere to the user-prescribed tolerance. To measure the degradation of images reconstructed using the lossy compressed data, we proposed a list of diagnostic measures, exploring the trade-off between these error bounds and the corresponding compression ratios, as well as the impact on science quality derived from the lossy compressed data products through a series of experiments. We studied the global and local impacts on the output images for continuum and spectral line examples. We found relative error bounds of as much as 10%, which provide compression ratios of about 20, have a limited impact on the continuum imaging as the increased noise is less than the image RMS, whereas a 1% error bound (compression ratio of 8) introduces an increase in noise of about an order of magnitude less than the image RMS. For extremely sensitive observations and for very precious data, we would recommend a 0.1% error bound with compression ratios of about 4. These have noise impacts two orders of magnitude less than the image RMS levels. At these levels, the limits are due to instabilities in the deconvolution methods. We compared the results to the alternative compression tool DYSCO, in both the impacts on the images and in the relative flexibility. MGARD provides better compression for similar error bounds and has a host of potentially powerful additional features.

Techniques: interferometric↗
NASA NTRS1984

A strongly implicit procedure for the compressible Navier-Stokes equations

The strongly implicit procedure of Stone is used to obtain numerical solutions of the compressible Navier-Stokes equations in conservative form. In contrast to the spatially split Douglas-Gunn type methods, the method is shown to be numerically stable for the three-dimensional wave equation. The method is applied to a variety of external and internal two-dimensional flow problems involving shock wave boundary-layer interaction for both laminar and turbulent flows. The results are in good agreement with other methods and/or experiments. The storage penalty associated with the method is discussed and a simple, yet effective, means of minimizing the problem is presented.

Walters, R. W.↗