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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 883 records · Page 49

A Parametric, Data-Driven, Non-Intrusive Reduced-Order Model Framework for Crystal Plasticity Simulations of Voids

The influence of the internal structure at micrometer length scales on the deformation of polycrystalline materials can be effectively captured using crystal plasticity finite element methods (CPFEM). However, the complexity and nonlinearity of the deformation equations CPFEM solves demand significant computational power and resources to achieve accurate predictions, limiting its broader application. To address this challenge, we have identified a reduced-order representation of the complex data in order to establish a computationally efficient reduced-order models (ROM) and drastically reduce the computational expense of CPFEM. Specifically, in this work, we developed a parametric, data-driven, and non-intrusive ROM framework for CPFEM using proper orthogonal decomposition (POD) and sparse variational Gaussian process (SVGP) regression for single-crystal microstructures under tensile loading conditions. The developed protocol enables one to compress field into a latent/low-dimensional space described by principal component analysis (PCA) via the singular value decomposition (SVD) algorithm. As a result, the high-dimensional data are reduced to a significantly smaller amount of dimensions with POD bases and POD coefficients. Furthermore, we deployed an ensemble of SVGPs—extended from the classical Gaussian process (GP) regression for scalability and handling big data—in a massively parallel manner to train and predict latent POD coefficients using known POD bases from a set of previously obtained simulations results. Lastly, using the predicted POD coefficients, we reconstructed the full-field results and showed reasonable agreement compared with the true values obtained from running CPFEM. The developed framework is validated with a set of CPFEM simulations of a single embedded void in single-crystal aluminum alloy. While the framework is broadly applicable, this work specifically focuses on single-crystal microstructures, a single load case (e.g., tensile), and a specific void geometry (spherical).

Anisotropy↗

Record acceleration of the two-dimensional Ising model using a high-performance wafer-scale engine

The versatility and wide-ranging applicability of the Ising model, originally introduced to study phase transitions in magnetic materials, have made it a cornerstone in statistical physics and a valuable tool for evaluating the performance of emerging computer hardware. Here, we present a novel implementation of the two-dimensional Ising model on Cerebras Wafer-Scale Engine (WSE) – a revolutionary processor that is opening new frontiers in computing. In our deployment of the checkerboard algorithm, we optimized the Ising model to take advantage of the unique WSE architecture. Specifically, we employed a compressed bit representation storing 16 spins on each int16 word, and efficiently distributed the spins over the processing units enabling seamless weak scaling and limiting communications to only immediate neighboring units. Our implementation can handle up to 754 simulations in parallel, achieving an aggregate of over 61.8 trillion flip attempts per second for Ising models with up to 200 million spins. This represents a gain of up to 148 times over previously reported single-devices with a highly optimized implementation on NVIDIA V100 and up to 88 times in productivity compared to NVIDIA H100. Our findings highlight the significant potential of the WSE in scientific computing, particularly in the field of materials modeling.

Ising model↗

Flame acceleration and transition to detonation in a pre-/main-chamber combustion system

Numerical simulations are performed to study the mechanism of deflagration to detonation transition (DDT) in a pre-/main-chamber combustion system with a stoichiometric ethylene–oxygen mixture. A Godunov algorithm, fifth-order in space, and third-order in time, is used to solve the fully compressible Navier–Stokes equations on a dynamically adapting mesh. A single-step, calibrated chemical diffusive model described by Arrhenius kinetics is used for energy release and conservation between the fuel and the product. The two-dimensional simulation shows that a laminar flame grows in the pre-chamber and then develops into a jet flame as it passes through the orifice. A strong shock forms immediately ahead of the flame, reflecting off the walls and interacting with the flame front. The shock–flame interactions are crucial for the development of flame instabilities, which trigger the subsequent flame development. The DDT arises due to a shock-focusing mechanism, where multiple shocks collide at the flame front. A chemical explosive mode analysis (CEMA) criterion is developed to study the DDT ignition mode. Preliminary one-dimensional computations for a laminar propagating flame, a fast flame deflagration, and a Chapman–Jouguet detonation are conducted to demonstrate the validity of CEMA on the chemical-diffusive model, as well as to determine the proper conditioning value for CEMA diagnostic. The two-dimensional analysis with CEMA indicates that the DDT initiated by the shock-focusing mechanism can form a strong thermal expansion region at the flame front that features large positive eigenvalues for the chemical explosive mode and dominance of the local autoignition mode. Thus, the CEMA criterion proposed in this study provides a robust diagnostic for identifying autoignition-supported DDT, of which the emergence of excessive local autoignition mode is found to be a precursor. The effect of grid size, initial temperature, and orifice size are then evaluated, and results show that although the close-chamber DDT is highly stochastic, the detonation initiation mechanism remains robust.

42 ENGINEERING↗

A Generalized Sampling and Preconditioning Scheme for Sparse Approximation of Polynomial Chaos Expansions

We propose an algorithm for recovering sparse orthogonal polynomial expansions via collocation. A standard sampling approach for recovering sparse polynomials uses Monte Carlo sampling, from the density of orthogonality, which results in poor function recovery when the polynomial degree is high. Our proposed approach aims to mitigate this limitation by sampling with respect to the weighted equilibrium measure of the parametric domain and subsequently solves a preconditioned $\ell^1$-minimization problem, where the weights of the diagonal preconditioning matrix are given by evaluations of the Christoffel function. Our algorithm can be applied to a wide class of orthogonal polynomial families on bounded and unbounded domains, including all classical families. We present theoretical analysis to motivate the algorithm and numerical results that show our method is superior to standard Monte Carlo methods in many situations of interest. In conclusion, numerical examples are also provided to demonstrate that our proposed algorithm leads to comparable or improved accuracy even when compared with Legendre- and Hermite-specific algorithms.

97 MATHEMATICS AND COMPUTING↗

Advanced digital SAR processing study

A highly programmable, land based, real time synthetic aperture radar (SAR) processor requiring a processed pixel rate of 2.75 MHz or more in a four look system was designed. Variations in range and azimuth compression, number of looks, range swath, range migration and SR mode were specified. Alternative range and azimuth processing algorithms were examined in conjunction with projected integrated circuit, digital architecture, and software technologies. The advaced digital SAR processor (ADSP) employs an FFT convolver algorithm for both range and azimuth processing in a parallel architecture configuration. Algorithm performace comparisons, design system design, implementation tradeoffs and the results of a supporting survey of integrated circuit and digital architecture technologies are reported. Cost tradeoffs and projections with alternate implementation plans are presented.

Martinson, L. W.↗

Accelerating an iterative process by explicit annihilation

A slowly convergent stationary iterative process can be accelerated by explicitly annihilating (i.e., eliminating) the dominant eigenvector component of the error. The dominant eigenvalue or complex pair of eigenvalues can be estimated from the solution during the iteration. The corresponding eigenvector or complex pair of eigenvectors can then be annihilated by applying an explicit Richardson process over the basic iterative method. This can be done entirely in real arithmetic by analytically combining the complex conjugate annihilation steps. The technique is applied to an implicit algorithm for the calculation of two dimensional steady transonic flow over a circular cylinder using the equations of compressible inviscid gas dynamics. This demonstrates the use of explicit annihilation on a nonlinear problem.

Jespersen, D. C.↗

Numerical simulations of fuel droplet flows using a Lagrangian triangular mesh

The incompressible, Lagrangian, triangular grid code, SPLISH, was converted for the study of flows in and around fuel droplets. This involved developing, testing and incorporating algorithms for surface tension and viscosity. The major features of the Lagrangian method and the algorithms are described. Benchmarks of the algorithms are given. Several calculations are presented for kerosene droplets in air. Finally, extensions which make the code compressible and three dimensional are discussed.

Fritts, M. J.↗

Accelerating an iterative process by explicit annihilation

A slowly convergent stationary iterative process can be accelerated by explicitly annihilating (i.e., eliminating) the dominant eigenvector component of the error. The dominant eigenvalue or complex pair of eigenvalues can be estimated from the solution during the iteration. The corresponding eigenvector or complex pair of eigenvectors can then be annihilated by applying an explicit Richardson process over the basic iterative method. This can be done entirely in real arithmetic by analytically combining the complex conjugate annihilation steps. The technique is applied to an implicit algorithm for the calculation of two dimensional steady transonic flow over a circular cylinder using the equations of compressible inviscid gas dynamics. This demonstrates the use of explicit annihilation on a nonlinear problem.

Jespersen, D. C.↗

A dual potential formulation of the Navier-Stokes equations

A dual potential formulation for numerically solving the Navier-Stokes equations is developed and presented. The velocity field is decomposed using a scalar and vector potential. Vorticity and dilatation are used as the dependent variables in the momentum equations. Test cases in two dimensions verify the capability to solve flows using approximations from potential flow to full Navier-Stokes simulations. A three-dimensional incompressible flow formulation is also described. An interesting feature of this approach to solving the Navier-Stokes equations is the decomposition of the velocity field into a rotational part (vector potential) and an irrotational part (scalar potential). The Helmholtz decomposition theorem allows this splitting of the velocity field. This approach has had only limited use since it increases the number of dependent variables in the solution. However, it has often been used for incompressible flows where the solution scheme is known to be fast and accurate. This research extends the usage of this method to fully compressible Navier-Stokes simulations by using the dilatation variable along with vorticity. A time-accurate, iterative algorithm is used for the uncoupled solution of the governing equations. Several levels of flow approximation are available within the framework of this method. Potential flow, Euler and full Navier-Stokes solutions are possible using the dual potential formulation. Solution efficiency can be enhanced in a straightforward way. For some flows, the vorticity and/or dilatation may be negligible in certain regions (e.g., far from a viscous boundary in an external flow). It is possible to drop the calculation of these variables then and optimize the solution speed. Also, efficient Poisson solvers are available for the potentials. The relative merits of non-primitive variables versus primitive variables for solution of the Navier-Stokes equations are also discussed.

Gegg, S. G.↗

Image segmentation by iterative parallel region growing with application to data compression and image analysis

Image segmentation can be a key step in data compression and image analysis. However, the segmentation results produced by most previous approaches to region growing are suspect because they depend on the order in which portions of the image are processed. An iterative parallel segmentation algorithm avoids this problem by performing globally best merges first. Such a segmentation approach, and two implementations of the approach on NASA's Massively Parallel Processor (MPP) are described. Application of the segmentation approach to data compression and image analysis is then described, and results of such application are given for a LANDSAT Thematic Mapper image.

Tilton, James C.↗

A new finite element formulation for computational fluid dynamics. X - The compressible Euler and Navier-Stokes equations

A space-time element method is presented for solving the compressible Euler and Navier-Stokes equations. The proposed formulation includes the variational equation, predictor multi-corrector algorithms and boundary conditions. The variational equation is based on the time-discontinuous Galerkin method, in which the physical entropy variables are employed. A least-squares operator and a discontinuity-capturing operator are added, resulting in a high-order accurate and unconditionally stable method. Implicit/explicit predictor multi-corrector algorithms, applicable to steady as well as unsteady problems, are presented; techniques are developed to enhance their efficiency. Implementation of boundary conditions is addressed; in particular, a technique is introduced to satisfy nonlinear essential boundary conditions, and a consistent method is presented to calculate boundary fluxes. Numerical results are presented to demonstrate the performance of the method.

Shakib, Farzin↗

Efficient simulation of incompressible viscous flow over multi-element airfoils

The incompressible, viscous, turbulent flow over single and multi-element airfoils is numerically simulated in an efficient manner by solving the incompressible Navier-Stokes equations. The computer code uses the method of pseudo-compressibility with an upwind-differencing scheme for the convective fluxes and an implicit line-relaxation solution algorithm. The motivation for this work includes interest in studying the high-lift take-off and landing configurations of various aircraft. In particular, accurate computation of lift and drag at various angles of attack, up to stall, is desired. Two different turbulence models are tested in computing the flow over an NACA 4412 airfoil; an accurate prediction of stall is obtained. The approach used for multi-element airfoils involves the use of multiple zones of structured grids fitted to each element. Two different approaches are compared: a patched system of grids, and an overlaid Chimera system of grids. Computational results are presented for two-element, three-element, and four-element airfoil configurations. Excellent agreement with experimental surface pressure coefficients is seen. The code converges in less than 200 iterations, requiring on the order of one minute of CPU time (on a CRAY YMP) per element in the airfoil configuration.

Rogers, Stuart E.↗

Optimal design of imperfect, anisotropic, ring-stiffened cylinders under combined loads

Development of an algorithm to perform the optimal sizing of buckling resistant, imperfect, anisotropic ring-stiffened cylinders subjected to axial compression, torsion, and internal pressure is presented. The enforcement of stability constraints is treated in a way that does not require any eigenvalue analysis. Assumption of criticality of these stability constraints during the optimal sizing of the cylinders produced designs that nevertheless satisfied all of the stress constraints as well as the stability constraints. Case studies performed using a combination of penalty function and feasible direction optimization methods indicate that the presence of the axisymmetric initial imperfection in the cylinder wall can significantly affect the optimal designs. Weight savings associated with the addition of two rings to the unstiffened cylinder and/or the addition of internal pressure is substantial when torsion makes up a significant fraction of the combined load state.

Ley, Robert P.↗

Entropy Stable Nonconforming Discretizations with the Summation-By-Parts Property for Curvilinear Coordinates

The entropy conservative/stable algorithm of Friedrichet al.(2018) for hyperbolic conservation laws on nonconforming p-refined/coarsened Cartesian grids, is extended to curvilinear grids for the compressible Euler equations. The primary focus is on constructing appropriate coupling procedures across the curvilinear nonconforming interfaces. A simple and flexible approach is proposed that uses interpolation operators from one element to the other. On the element faces,the analytic metrics are used to construct coupling terms, while metric terms in the volume are approximated to satisfy a discretization of the geometric conservation laws. The resulting scheme is entropy conservative/stable, elementwise conservative, and freestream preserving. The accuracy and stability properties of the resulting numerical algorithm are shown to be comparable to those ofthe original conforming scheme (∼p+ 1 convergence) in the context of the isentropic Euler vortex and the inviscid Taylor–Green vortex problems on manufactured high order grids.

David Del Rey Fernandez↗

Concentration fluctuations and flammability of cryo-compressed hydrogen and methane jets

Compressed hydrogen stored at cryogenic temperatures has a much higher density than room-temperature storage, which enables large-scale hydrogen storage and transport. An understanding of the release of cryogenic hydrogen from pressurized vessels is needed to evaluate the risk and safety concerns with the use of this fuel. Here, the present work extends the analysis of previous experimental studies that measured the gas concentrations of cryo-compressed hydrogen jets and methane jets using a laser Raman scattering diagnostic system. Since the Raman signals are very small, a denoising algorithm was applied to significantly reduce the noise to enable statistical analysis of the data. The transient features of the turbulent jets were characterized by their concentration intermittencies and probability density functions (PDFs). A two-part PDF was developed to predict the bimodal features of the jet concentration distributions. Then, the flammability factors of the cryogenic jets were calculated based on the intermittency and the PDF.

33 ADVANCED PROPULSION SYSTEMS↗

Relevant biochar characteristics influencing compressive strength of biochar-cement mortars

To counteract the contribution of CO 2 emissions by cement production and utilization, biochar is being harnessed as a carbon-negative additive in concrete. Increasing the cement replacement and biochar dosage will increase the carbon offset, but there is large variability in methods being used and many researchers report strength decreases at cement replacements beyond 5%. This work presents a reliable method to replace 10% of the cement mass with a vast selection of biochars without decreasing ultimate compressive strength, and in many cases significantly improving it. By carefully quantifying the physical and chemical properties of each biochar used, machine learning algorithms were used to elucidate the three most influential biochar characteristics that control mortar strength: initial saturation percentage, oxygen-to-carbon ratio, and soluble silicon. These results provide additional research avenues for utilizing several potential biomass waste streams to increase the biochar dosage in cement mixes without decreasing mechanical properties.

97 MATHEMATICS AND COMPUTING↗