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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Faster and more accurate transport procedures for HZETRN

The deterministic transport code HZETRN was developed for research scientists and design engineers studying the effects of space radiation on astronauts and instrumentation protected by various shielding materials and structures. In this work, several aspects of code verification are examined. First, a detailed derivation of the light particle (A {<=} 4) and heavy ion (A > 4) numerical marching algorithms used in HZETRN is given. References are given for components of the derivation that already exist in the literature, and discussions are given for details that may have been absent in the past. The present paper provides a complete description of the numerical methods currently used in the code and is identified as a key component of the verification process. Next, a new numerical method for light particle transport is presented, and improvements to the heavy ion transport algorithm are discussed. A summary of round-off error is also given, and the impact of this error on previously predicted exposure quantities is shown. Finally, a coupled convergence study is conducted by refining the discretization parameters (step-size and energy grid-size). From this study, it is shown that past efforts in quantifying the numerical error in HZETRN were hindered by single precision calculations and computational resources. It is determined that almost all of the discretization error in HZETRN is caused by the use of discretization parameters that violate a numerical convergence criterion related to charged target fragments below 50 AMeV. Total discretization errors are given for the old and new algorithms to 100 g/cm{sup 2} in aluminum and water, and the improved accuracy of the new numerical methods is demonstrated. Run time comparisons between the old and new algorithms are given for one, two, and three layer slabs of 100 g/cm{sup 2} of aluminum, polyethylene, and water. The new algorithms are found to be almost 100 times faster for solar particle event simulations and almost 10 times faster for galactic cosmic ray simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
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.↗
NASA NTRS1986

A computer code for three-dimensional incompressible flows using nonorthogonal body-fitted coordinate systems

In this report, a numerical method for solving the equations of motion of three-dimensional incompressible flows in nonorthogonal body-fitted coordinate (BFC) systems has been developed. The equations of motion are transformed to a generalized curvilinear coordinate system from which the transformed equations are discretized using finite difference approximations in the transformed domain. The hybrid scheme is used to approximate the convection terms in the governing equations. Solutions of the finite difference equations are obtained iteratively by using a pressure-velocity correction algorithm (SIMPLE-C). Numerical examples of two- and three-dimensional, laminar and turbulent flow problems are employed to evaluate the accuracy and efficiency of the present computer code. The user's guide and computer program listing of the present code are also included.

Chen, Y. S.↗
NASA NTRS1995

Category 5 problem solution using an unstructured finite volume algorithm

For the simulation of flows with complex geometries, unstructured finite volume methods have proven to be very popular, and simulations of a large number of flows have been done with good results using this approach. Since most of the simulations to date were done for steady flows, it is not clear that present unstructured finite volume algorithms can accurately track the unsteady propagation of acoustic waves in a computation. Therefore, there is a need to assess the accuracy of these methods for acoustic calculations. In this paper, we perform the numerical simulation of a very small amplitude acoustic wave incident on the non-uniform steady flow in a quasi- 1 D convergent-divergent nozzle using an unstructured finite volume algorithm with piece-wise linear, least square reconstruction, Roe flux difference splitting, and second-order MacCormack time marching. First, the spatial accuracy of the algorithm is evaluated for the steady flow by running the simulation with a sequence of successively finer meshes. Then the unsteady numerical solution with the acoustic perturbation is presented.

Bui, Trong T.↗
DOE OSTI2020

Improving climate model coupling through a complete mesh representation: a case study with E3SM (v1) and MOAB (v5.x)

One of the fundamental factors contributing to the spatiotemporal inaccuracy in climate modeling is the mapping of solution field data between different discretizations and numerical grids used in the coupled component models. The typical climate computational workflow involves evaluation and serialization of the remapping weights during the preprocessing step, which is then consumed by the coupled driver infrastructure during simulation to compute field projections. Tools like Earth System Modeling Framework (ESMF) and TempestRemap offer capability to generate conservative remapping weights, while the Model Coupling Toolkit (MCT) that is utilized in many production climate models exposes functionality to make use of the operators to solve the coupled problem. However, such multistep processes present several hurdles in terms of the scientific workflow and impede research productivity. In order to overcome these limitations, we present a fully integrated infrastructure based on the Mesh Oriented datABase (MOAB) library, which allows for a complete description of the numerical grids and solution data used in each submodel. Through a scalable advancing-front intersection algorithm, the supermesh of the source and target grids are computed, which is then used to assemble the high-order, conservative, and monotonicity-preserving remapping weights between discretization specifications. The Fortran-compatible interfaces in MOAB are utilized to directly link the submodels in the Energy Exascale Earth System Model (E3SM) to enable online remapping strategies in order to simplify the coupled workflow process. We demonstrate the superior computational efficiency of the remapping algorithms in comparison with other state-of-the-science tools and present strong scaling results on large-scale machines for computing remapping weights between the spectral element atmosphere and finite volume discretizations on the polygonal ocean grids.

58 GEOSCIENCES↗
NASA NTRS2001

Global Discrete Artificial Boundary Conditions for Time-Dependent Wave Propagation

We construct global artificial boundary conditions (ABCs) for the numerical simulation of wave processes on unbounded domains using a special non-deteriorating algorithm that has been developed previously for the long-term computation of wave-radiation solutions. The ABCs are obtained directly for the discrete formulation of the problem; in so doing, neither a rational approximation of 'non-reflecting kernels,' nor discretization of the continuous boundary conditions is required. The extent of temporal nonlocality of the new ABCs appears fixed and limited; in addition, the ABCs can handle artificial boundaries of irregular shape on regular grids with no fitting/adaptation needed and no accuracy loss induced. The non-deteriorating algorithm, which is the core of the new ABCs is inherently three-dimensional, it guarantees temporally uniform grid convergence of the solution driven by a continuously operating source on arbitrarily long time intervals, and provides unimprovable linear computational complexity with respect to the grid dimension. The algorithm is based on the presence of lacunae, i.e., aft fronts of the waves, in wave-type solutions in odd-dimension spaces, It can, in fact, be built as a modification on top of any consistent and stable finite-difference scheme, making its grid convergence uniform in time and at the same time keeping the rate of convergence the same as that of the non-modified scheme. In the paper, we delineate the construction of the global lacunae-based ABCs in the framework of a discretized wave equation. The ABCs are obtained for the most general formulation of the problem that involves radiation of waves by moving sources (e.g., radiation of acoustic waves by a maneuvering aircraft). We also present systematic numerical results that corroborate the theoretical design properties of the ABCs' algorithm.

Ryabenkii, V. S.↗
NASA NTRS1990

Unsteady transonic Navier-Stokes computations for an oscillating wing using single and multiple zones

Modern jet transports and maneuvering tactical fighters operating in the transonic regime often give rise to time-dependent fluid physics that interact with flexible structural components, e.g., vortical flow, shocks, and separation. Efficient computational fluid dynamic (CFD) methods are required to study such computationally intensive problems. In this work a numerical method is presented to address this problem. Time-dependent, compressible, Navier-Stokes equations are used to simulate unsteady transonic flow about a three-dimensional rigid wing undergoing a forced periodic motion in angle of attack. An efficient, implicit, diagonal algorithm is utilized because of its low operation count per time step compared to other methods that solve systems of block matrix equations. The formal time accuracy is addressed theoretically and demonstrated numerically by comparison of computational results with experimental data. A zonal grid approach, capable of treating complex geometries, is presented and its time accuracy is demonstrated by comparing a zonal computation with a single grid computation and experimental data.

Chaderjian, Neal M.↗
DOE OSTI2016

Hybrid framework for the simulation of stochastic chemical kinetics

Stochasticity plays a fundamental role in various biochemical processes, such as cell regulatory networks and enzyme cascades. Isothermal, well-mixed systems can be modelled as Markov processes, typically simulated using the Gillespie Stochastic Simulation Algorithm (SSA) [25]. While easy to implement and exact, the computational cost of using the Gillespie SSA to simulate such systems can become prohibitive as the frequency of reaction events increases. This has motivated numerous coarse-grained schemes, where the “fast” reactions are approximated either using Langevin dynamics or deterministically. While such approaches provide a good approximation when all reactants are abundant, the approximation breaks down when one or more species exist only in small concentrations and the fluctuations arising from the discrete nature of the reactions become significant. This is particularly problematic when using such methods to compute statistics of extinction times for chemical species, as well as simulating non-equilibrium systems such as cell-cycle models in which a single species can cycle between abundance and scarcity. In this paper, a hybrid jump-diffusion model for simulating well-mixed stochastic kinetics is derived. It acts as a bridge between the Gillespie SSA and the chemical Langevin equation. For low reactant reactions the underlying behaviour is purely discrete, while purely diffusive when the concentrations of all species are large, with the two different behaviours coexisting in the intermediate region. A bound on the weak error in the classical large volume scaling limit is obtained, and three different numerical discretisations of the jump-diffusion model are described. The benefits of such a formalism are illustrated using computational examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Convergence acceleration of viscous and inviscid hypersonic flow calculations

The convergence of inviscid and viscous hypersonic flow calculations using a two-dimensional flux-splitting code is accelerated by applying a Richardson-type overrelaxation method. Successful results are presented for various cases; and a 50 percent savings in computer time is usually achieved. An analytical formula for the overrelaxation factor is derived, and the performance of this scheme is confirmed numerically. Moreover, application of this overrelaxation scheme produces a favorable preconditioning for Wynn's epsilon-algorithm. Both techniques have been extended to viscous three-dimensional flows and applied to accelerate the convergence of the compressible Navier-Stokes code. A savings of 40 percent in computer time is achieved in this case.

Cheer, A.↗
DOE OSTI2017

IoGET: Internet of Geophysical and Environmental Things

The objective of this project is to provide novel and fast reduced-order models for onboard computation at sensor nodes for real-time analysis. The approach will require that LANL perform high-fidelity numerical simulations, construct simple reduced-order models (ROMs) using machine learning and signal processing algorithms, and use real-time data analysis for ROMs and compressive sensing at sensor nodes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Optimization and supervised machine learning methods for fitting numerical physics models without derivatives

Here, we address the calibration of a computationally expensive nuclear physics model for which derivative information with respect to the fit parameters is not readily available. Of particular interest is the performance of optimization-based training algorithms when dozens, rather than millions or more, of training data are available and when the expense of the model places limitations on the number of concurrent model evaluations that can be performed. As a case study, we consider the Fayans energy density functional model, which has characteristics similar to many model fitting and calibration problems in nuclear physics. We analyze hyperparameter tuning considerations and variability associated with stochastic optimization algorithms and illustrate considerations for tuning in different computational settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Efficient spectral and pseudospectral algorithms for 3D simulations of whistler-mode waves in a plasma

Efficient spectral and pseudospectral algorithms for simulation of linear and nonlinear 3D whistler waves in a cold electron plasma are developed. These algorithms are applied to the simulation of whistler waves generated by loop antennas and spheromak-like stationary waves of considerable amplitude. The algorithms are linearly stable and show good stability properties for computations of nonlinear waves over tens of thousands of time steps. Additional speedups by factors of 10-20 (comparing single core CPU and one GPU) are achieved by using graphics processors (GPUs), which enable efficient numerical simulation of the wave propagation on relatively high resolution meshes (tens of millions nodes) in personal computing environment. Comparisons of the numerical results with analytical solutions and experiments show good agreement. The limitations of the codes and the performance of the GPU computing are discussed.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Computational Fluid Dynamics Program at NASA Ames Research Center

The Computational Fluid Dynamics (CFD) Program at NASA Ames Research Center is reviewed and discussed. The technical elements of the CFD Program are listed and briefly discussed. These elements include algorithm research, research and pilot code development, scientific visualization, advanced surface representation, volume grid generation, and numerical optimization. Next, the discipline of CFD is briefly discussed and related to other areas of research at NASA Ames including experimental fluid dynamics, computer science research, computational chemistry, and numerical aerodynamic simulation. These areas combine with CFD to form a larger area of research, which might collectively be called computational technology. The ultimate goal of computational technology research at NASA Ames is to increase the physical understanding of the world in which we live, solve problems of national importance, and increase the technical capabilities of the aerospace community. Next, the major programs at NASA Ames that either use CFD technology or perform research in CFD are listed and discussed. Briefly, this list includes turbulent/transition physics and modeling, high-speed real gas flows, interdisciplinary research, turbomachinery demonstration computations, complete aircraft aerodynamics, rotorcraft applications, powered lift flows, high alpha flows, multiple body aerodynamics, and incompressible flow applications. Some of the individual problems actively being worked in each of these areas is listed to help define the breadth or extent of CFD involvement in each of these major programs. State-of-the-art examples of various CFD applications are presented to highlight most of these areas. The main emphasis of this portion of the presentation is on examples which will not otherwise be treated at this conference by the individual presentations. Finally, a list of principal current limitations and expected future directions is given.

Holst, Terry L.↗
NASA NTRS1990

Constructing second-order structural models with specified mass submatrix condition numbers

This paper presents a simple new algorithm for constructing second-order models for any given flexible structure, with these models satisfying the constraint that each leading principal submatrix of the mass matrix must have a specified condition number. Now, the effects of rounding errors in practical computation generally increase with increasing condition number, i.e. as the matrix considered approaches singularity. Thus, the new models should prove useful for the systematic testing of the numerical properties of many algorithms in the dynamics and control of flexible structures.

Williams, T.↗
NASA NTRS1977

Propeller design by numerical optimization

A computer program designed to optimize propeller characteristics was developed by combining two main programs: the first is the optimization program based on the gradient algorithm; the second is based on a propeller blade element theory and uses an aerodynamics subprogram to approximate the lift and drag characteristics of the NACA 16-series airfoil section. To evaluate the propeller program alone (with its aerodynamics subprogram), propeller characteristics were computed and compared to those from wind tunnel investigations conducted on three different NACA propellers. Although the thrust and power coefficients which were computed using the blade element theory were generally higher than the experimental results for two of the three propellers, the corresponding efficiencies showed good agreement for all three propellers. The propeller optimization program was then used to study the NACA 4-(5)(08)-03 propeller at various Mach numbers from 0.175 to 0.60. Improvements in propeller efficiency and thrust were obtained through the use of the propeller optimization program.

Mendoza, J. P.↗
DOE OSTI2024

GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide interest in many areas of advanced computational science, including direct numerical simulation of three-dimensional (3-D) turbulence governed by the Navier-Stokes equations in fluid dynamics. This paper presents a new capability for simulating turbulence at a new record resolution up to 35 trillion grid points, on the world's first exascale computer, Frontier, comprising AMD MI250x GPUs with HPE's Slingshot interconnect and operated by the US Department of Energy's Oak Ridge Leadership Computing Facility (OLCF). Key programming strategies designed to take maximum advantage of the machine architecture involve performing almost all computations on the GPU which has the same memory capacity as the CPU, performing all-to-all communication among sets of parallel processes directly on the GPU, and targeting GPUs efficiently using OpenMP offloading for intensive number-crunching including 1-D Fast Fourier Transforms (FFT) performed using AMD ROCm library calls. With 99% of computing power on Frontier being on the GPU, leaving the CPU idle leads to a net performance gain via avoiding the overhead of data movement between host and device except when needed for some I/O purposes. Memory footprint including the size of communication buffers for MPI_ALLTOALL is managed carefully to maximize the largest problem size possible for a given node count. Detailed performance data including separate contributions from different categories of operations to the elapsed wall time per step are reported for five grid resolutions, from 2048 3 on a single node to 32768 3 on 4096 or 8192 nodes out of 9408 on the system. Both 1D and 2D domain decompositions which divide a 3D periodic domain into slabs and pencils respectively are implemented. The present code suite (labeled by the acronym GESTS, GPUs for Extreme Scale Turbulence Simulations) achieves a figure of merit (in grid points per second) exceeding goals set in the Center for Accelerated Application Readiness (CAAR) program for Frontier. The performance attained is highly favorable in both weak scaling and strong scaling, with notable departures only for 2048 3 where communication is entirely intra-node, and for 32768 3 , where a challenge due to small message sizes does arise. Communication performance is addressed further using a lightweight test code that performs all-to-all communication in a manner matching the full turbulence simulation code. Performance at large problem sizes is affected by both small message size due to high node counts as well as dragonfly network topology features on the machine, but is consistent with official expectations of sustained performance on Frontier. Overall, although not perfect, the scalability achieved at the extreme problem size of 32768 3 (and up to 8192 nodes — which corresponds to hardware rated at just under 1 exaflop/sec of theoretical peak computational performance) is arguably better than the scalability observed using prior state-of-the-art algorithms on Frontier's predecessor machine (Summit) at OLCF. New science results for the study of intermittency in turbulence enabled by this code and its extensions are to be reported separately in the near future.

3D fast Fourier transform↗
DOE OSTI2020

A geospatial model for the analysis of time-dependent land subsidence induced by reservoir depletion

Land subsidence due to fluid depletion is an outcome of physical processes operating across a wide range of time and length scales. Although geomechanical models are crucial to simulate reservoir compaction and predict its long-term fate, their use across large regions often bears prohibitive computational costs. To overcome this obstacle, this paper proposes a simplified modelling framework consisting of (i) a near-field numerical solver simulating the coupling between fluid flow and rock deformation with reference to a simplified one-dimensional geometry and (ii) a far-field geospatial algorithm mapping ground settlements across a region through the superposition of poroelastic computations at multiple wells. The model computes the delay between depletion history and reservoir compaction in proximity of a producing well by assuming basal depletion of a fluid-saturated deformable disk, while the Geertsma solution of nucleus of strain is used to extrapolate the impact of such time-varying reservoir compaction around the well. This approach has been used to back-analyze the spatio-temporal progression of subsidence at the Groningen gas field. The results are compared against measurements collected over 50 year of production at 25 benchmark locations scattered over an area of 900 km 2 . It is shown that coupled simulations based on average values of rock compressibility and permeability lead to nonlinear trends of subsidence evolution in good agreement with field measurements, while uncoupled analyses overpredict settlements by more than 70%. Lastly, synthetic forecasts based on different rates of depletion were provided. The results suggest that slower depletion rates lead to lower subsidence at a given time, and that residual subsidence may continue to develop for several decades after interruption of production activities.

58 GEOSCIENCES↗