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At least 181 records · Page 10

Modeling of solid/porous wall boundary conditions for the validation of computational fluid dynamics codes

A computational study has been undertaken to investigate method of modeling solid and porous wall boundary conditions in computational fluid dynamics (CFD) codes. The procedure utilizes experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution is then imposed as a boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the boundary conditions at the wind tunnel walls using only sparse experimental measurements has been investigated. Position and refinement of experimental measurement locations required to describe porous wall boundary conditions has also been considered.

Beutner, Thomas J.↗

Determination of solid/porous wall boundary conditions from wind tunnel data for computational fluid dynamics codes

A computational and experimental study has been undertaken to investigate methods of modeling solid and porous wall boundary conditions in CFD codes. The procedure utilizes experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution is then imposed as a boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the boundary conditions at the wind tunnel walls using only sparse experimental measurements has been investigated. Verification of the approach using computational studies has been carried out using an incompressible flow solver. The current work demonstrates this technique for low speed flows and compares the result with experimental data obtained from a heavily instrumented variable porosity test section. Position and refinement of experimental measurements required to describe porous wall boundary conditions has also been considered for application to other porous wall wind tunnels.

Beutner, Thomas J.↗

An Object-Oriented Collection of Minimum Degree Algorithms: Design, Implementation, and Experiences

The multiple minimum degree (MMD) algorithm and its variants have enjoyed 20+ years of research and progress in generating fill-reducing orderings for sparse, symmetric positive definite matrices. Although conceptually simple, efficient implementations of these algorithms are deceptively complex and highly specialized. In this case study, we present an object-oriented library that implements several recent minimum degree-like algorithms. We discuss how object-oriented design forces us to decompose these algorithms in a different manner than earlier codes and demonstrate how this impacts the flexibility and efficiency of our C++ implementation. We compare the performance of our code against other implementations in C or Fortran.

Kumfert, Gary↗

Uncertainty quantification of a physics-informed model based on sparse identification of a Thermal Energy Distribution System

Integrated energy systems (IES)s are crucial for enhancing the economy and efficiency of power generation sources (e.g., nuclear energy) necessary to unleash American energy dominance. These systems can be integrated with thermal energy storage (TES) and intermittent renewable energies to optimize overall energy use, peak-load regulation, and demand-side responses. However, the stabilization of energy generation, transport, and utilization introduces operational complexities that exceed the challenges of managing each sub-component individually. Currently, though IESs rely on human operators for efficiency and stability, reducing human error risk and enhancing performance through automation is highly desirable. Recent advances at Idaho National Laboratory have demonstrated successful control of the Thermal Energy Distributed System (TEDS). However, the automatic control system depends on a deterministic Sparse Identification of Nonlinear Dynamics with Control (SINDyC) model, which are trained based on simulation data from physics-based simulations. Because of uncertainties in physics-based simulation, SINDyC model results in large discrepancies against experimental data and cannot be reliably used in automatic control. In this paper, we present an innovative approach to address these discrepancies by quantifying uncertainties and developing a more robust model. We first generated trajectories by using first-principles physics codes to encapsulate the experiment. Next, we trained thousands of models by randomly sampling these trajectories. We then collapsed all those models into one probabilistic SINDyC by fitting a multivariate Gaussian distribution onto the resulting coefficient’s distribution. Despite its simplicity, our approach successfully produced 95% confidence intervals that captured the experimental trajectories. It even did so with a higher probability and better U-pooling score across six of the seven relevant quantities of interest (QoIs), as compared to other classical approaches. In conclusion, ongoing research is focusing on generating new experimental trajectories to validate this approach, and on employing Bayesian calibration to refine parametric uncertainties and guide future model development efforts.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Particle-in-cell (hPIC) data

Data generated from the hPIC particle-in-cell code to construct a surrogate ion energy-angle distribution (IEAD) model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Strategies for vectorizing the sparse matrix vector product on the CRAY XMP, CRAY 2, and CYBER 205

Large, randomly sparse matrix vector products are important in a number of applications in computational chemistry, such as matrix diagonalization and the solution of simultaneous equations. Vectorization of this process is considered for the CRAY XMP, CRAY 2, and CYBER 205, using a matrix of dimension of 20,000 with from 1 percent to 6 percent nonzeros. Efficient scatter/gather capabilities add coding flexibility and yield significant improvements in performance. For the CYBER 205, it is shown that minor changes in the IO can reduce the CPU time by a factor of 50. Similar changes in the CRAY codes make a far smaller improvement.

Bauschlicher, Charles W., Jr.↗

Determination of solid/porous wall boundary conditions from wind tunnel data for computational fluid dynamics codes

A computational and experimental study has been undertaken to investigate methods of modelling solid and porous wall boundary conditions in computational fluid dynamics (CFD) codes. The procedure utilizes experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution is then imposed as a pressure boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the boundary conditions at the wind tunnel walls using only sparse experimental measurements has been investigated. Verification of the approach using computational studies has been carried out using an incompressible flow solver. The current work demonstrates this technique for low speed flows and compares the result with experimental data obtained from a heavily instrumented variable porosity test section. Position and refinement of experimental measurements required to describe porous wall boundary conditions have also been considered for application to other porous wall wind tunnels. The approach developed is simple, computationally inexpensive, and does not require extensive or intrusive measurements. It may be applied to both solid and porous wall wind tunnel tests. Some consideration is given to the extension of this method to three dimensions.

Beutner, Thomas J.↗

Source scaling comparison and validation in Central Italy: data intensive direct S waves versus the sparse data coda envelope methodology

SUMMARY Robustness of source parameter estimates is a fundamental issue in understanding the relationships between small and large events; however, it is difficult to assess how much of the variability of the source parameters can be attributed to the physical source characteristics or to the uncertainties of the methods and data used to estimate the values. In this study, we apply the coda method by Mayeda et al. using the coda calibration tool (CCT), a freely available Java-based code (https://github.com/LLNL/coda-calibration-tool) to obtain a regional calibration for Central Italy for estimating stable source parameters. We demonstrate the power of the coda technique in this region and show that it provides the same robustness in source parameter estimation as a data-driven methodology [generalized inversion technique (GIT)], but with much fewer calibration events and stations. The Central Italy region is ideal for both GIT and coda approaches as it is characterized by high-quality data, including recent well-recorded seismic sequences such as L'Aquila (2009) and Amatrice–Norcia–Visso (2016–2017). This allows us to apply data-driven methods such as GIT and coda-based methods that require few, but high-quality data. The data set for GIT analysis includes ∼5000 earthquakes and more than 600 stations, while for coda analysis we used a small subset of 39 events spanning 3.5 < Mw < 6.33 and 14 well-distributed broad-band stations. For the common calibration events, as well as an additional 247 events (∼1.7 < Mw < ∼5.0) not used in either calibration, we find excellent agreement between GIT-derived and CCT-derived source spectra. This confirms the ability of the coda approach to obtain stable source parameters even with few calibration events and stations. Even reducing the coda calibration data set by 75 per cent, we found no appreciable degradation in performance. This validation of the coda calibration approach over a broad range of event size demonstrates that this procedure, once extended to other regions, represents a powerful tool for future routine applications to homogeneously evaluate robust source parameters on a national scale. Furthermore, the coda calibration procedure can homogenize the Mw estimates for small and large events without the necessity of introducing any conversion scale between narrow-band measures such as local magnitude (ML) and Mw, which has been shown to introduce significant bias.

Morasca, Paola (ORCID:0000000265254867)↗

Prediction of Aerodynamic Coefficient using Genetic Algorithm Optimized Neural Network for Sparse Data

Wind tunnels use scale models to characterize aerodynamic coefficients, Wind tunnel testing can be slow and costly due to high personnel overhead and intensive power utilization. Although manual curve fitting can be done, it is highly efficient to use a neural network to define the complex relationship between variables. Numerical simulation of complex vehicles on the wide range of conditions required for flight simulation requires static and dynamic data. Static data at low Mach numbers and angles of attack may be obtained with simpler Euler codes. Static data of stalled vehicles where zones of flow separation are usually present at higher angles of attack require Navier-Stokes simulations which are costly due to the large processing time required to attain convergence. Preliminary dynamic data may be obtained with simpler methods based on correlations and vortex methods; however, accurate prediction of the dynamic coefficients requires complex and costly numerical simulations. A reliable and fast method of predicting complex aerodynamic coefficients for flight simulation I'S presented using a neural network. The training data for the neural network are derived from numerical simulations and wind-tunnel experiments. The aerodynamic coefficients are modeled as functions of the flow characteristics and the control surfaces of the vehicle. The basic coefficients of lift, drag and pitching moment are expressed as functions of angles of attack and Mach number. The modeled and training aerodynamic coefficients show good agreement. This method shows excellent potential for rapid development of aerodynamic models for flight simulation. Genetic Algorithms (GA) are used to optimize a previously built Artificial Neural Network (ANN) that reliably predicts aerodynamic coefficients. Results indicate that the GA provided an efficient method of optimizing the ANN model to predict aerodynamic coefficients. The reliability of the ANN using the GA includes prediction of aerodynamic coefficients to an accuracy of 110% . In our problem, we would like to get an optimized neural network architecture and minimum data set. This has been accomplished within 500 training cycles of a neural network. After removing training pairs (outliers), the GA has produced much better results. The neural network constructed is a feed forward neural network with a back propagation learning mechanism. The main goal has been to free the network design process from constraints of human biases, and to discover better forms of neural network architectures. The automation of the network architecture search by genetic algorithms seems to have been the best way to achieve this goal.

Rajkumar, T.↗

Simulation of Aerosols and Chemistry with a Unified Global Model

This project is to continue the development of the global simulation capabilities of tropospheric and stratospheric chemistry and aerosols in a unified global model. This is a part of our overall investigation of aerosol-chemistry-climate interaction. In the past year, we have enabled the tropospheric chemistry simulations based on the GEOS-CHEM model, and added stratospheric chemical reactions into the GEOS-CHEM such that a globally unified troposphere-stratosphere chemistry and transport can be simulated consistently without any simplifications. The tropospheric chemical mechanism in the GEOS-CHEM includes 80 species and 150 reactions. 24 tracers are transported, including O3, NOx, total nitrogen (NOy), H2O2, CO, and several types of hydrocarbon. The chemical solver used in the GEOS-CHEM model is a highly accurate sparse-matrix vectorized Gear solver (SMVGEAR). The stratospheric chemical mechanism includes an additional approximately 100 reactions and photolysis processes. Because of the large number of total chemical reactions and photolysis processes and very different photochemical regimes involved in the unified simulation, the model demands significant computer resources that are currently not practical. Therefore, several improvements will be taken, such as massive parallelization, code optimization, or selecting a faster solver. We have also continued aerosol simulation (including sulfate, dust, black carbon, organic carbon, and sea-salt) in the global model to cover most of year 2002. These results have been made available to many groups worldwide and accessible from the website http://code916.gsfc.nasa.gov/People/Chin/aot.html.

Chin, Mian↗

Budding yeasts in the subphylum Saccharomycotina Genome sequencing and assembly

Eukaryotic life depends on the functional elements encoded by both the nuclear genome and organellar genomes, such as those contained within the mitochondria. The content, size, and structure of the mitochondrial genome varies across organisms with potentially large implications for phenotypic variance and resulting evolutionary trajectories. Among yeasts in the subphylum Saccharomycotina, extensive differences have been observed in various species relative to the model yeast Saccharomyces cerevisiae, but mitochondrial genome sampling across many groups has been scarce, even as hundreds of nuclear genomes have become available. By extracting mitochondrial reads from existing short-read genome sequence datasets, we have greatly expanded both the number of available genomes and the coverage across sparsely sampled clades. Comparison of 353 yeast mitochondrial genomes revealed that, while size and GC content were fairly consistent across species, those in the genera Metschnikowia and Saccharomyces trended larger, while several species in the order Saccharomycetales exhibited lower GC content. Extreme examples for both size and GC content were scattered throughout the subphylum. All mitochondrial genomes shared a core set of protein-coding genes for Complexes III, IV, and V, but they varied in the presence or absence of mitochondrially-encoded canonical Complex I genes. We traced the loss of Complex I genes to a major event in the ancestor of the orders Saccharomycetales and Saccharomycodales, but we also observed several independent losses in the orders Phaffomycetales, Pichiales, and Dipodascales. In contrast to prior hypotheses based on smaller-scale datasets, comparison of evolutionary rates in protein-coding genes showed no bias towards elevated rates among aerobically fermenting (Crabtree/Warburg-positive) yeasts. Mitochondrial introns were widely distributed, but highly enriched in some groups. The majority of mitochondrial introns were poorly conserved within groups, but several were shared within groups, between groups, and even across taxonomic orders, which is consistent with horizontal gene transfer, likely involving homing endonucleases acting as selfish elements. As the number of available fungal nuclear genomes continues to expand, the methods described here to retrieve mitochondrial genome sequences from these datasets will prove invaluable to ensuring that studies of fungal mitochondrial genomes keep pace with their nuclear counterparts.

diversity↗

A data management system for engineering and scientific computing

Data elements and relationship definition capabilities for this data management system are explicitly tailored to the needs of engineering and scientific computing. System design was based upon studies of data management problems currently being handled through explicit programming. The system-defined data element types include real scalar numbers, vectors, arrays and special classes of arrays such as sparse arrays and triangular arrays. The data model is hierarchical (tree structured). Multiple views of data are provided at two levels. Subschemas provide multiple structural views of the total data base and multiple mappings for individual record types are supported through the use of a REDEFINES capability. The data definition language and the data manipulation language are designed as extensions to FORTRAN. Examples of the coding of real problems taken from existing practice in the data definition language and the data manipulation language are given.

Elliot, L.↗

Maximum a posteriori Ly α estimator (MAPLE): band power and covariance estimation of the 3D Ly α forest power spectrum

We present a novel maximum a posteriori estimator to jointly estimate band powers and the covariance of the three-dimensional power spectrum (P3D) of Ly $\alpha$ forest flux fluctuations, called MAPLE. Our Wiener-filter based algorithm reconstructs a window-deconvolved P3D in the presence of complex survey geometries typical for Ly $\alpha$ surveys that are sparsely sampled transverse to and densely sampled along the line of sight. We demonstrate our method on idealized Gaussian random fields with two selection functions: (i) a sparse sampling of 30 background sources per square degree designed to emulate the current Dark Energy Spectroscopic Instrument; (ii) a dense sampling of 900 background sources per square degree emulating the upcoming Prime Focus Spectrograph Galaxy Evolution Survey. Our proof-of-principle shows promise, especially since the algorithm can be extended to marginalize jointly over nuisance parameters and contaminants, i.e. offsets introduced by continuum fitting. Our code is implemented in JAX and is publicly available on GitHub.

79 ASTRONOMY AND ASTROPHYSICS↗

A method for the modelling of porous and solid wind tunnel walls in computational fluid dynamics codes

Porous wall wind tunnels have been used for several decades and have proven effective in reducing wall interference effects in both low speed and transonic testing. They allow for testing through Mach 1, reduce blockage effects and reduce shock wave reflections in the test section. Their usefulness in developing computational fluid dynamics (CFD) codes has been limited, however, by the difficulties associated with modelling the effect of a porous wall in CFD codes. Previous approaches to modelling porous wall effects have depended either upon a simplified linear boundary condition, which has proven inadequate, or upon detailed measurements of the normal velocity near the wall, which require extensive wind tunnel time. The current work was initiated in an effort to find a simple, accurate method of modelling a porous wall boundary condition in CFD codes. The development of such a method would allow data from porous wall wind tunnels to be used more readily in validating CFD codes. This would be beneficial when transonic validations are desired, or when large models are used to achieve high Reynolds numbers in testing. A computational and experimental study was undertaken to investigate a new method of modelling solid and porous wall boundary conditions in CFD codes. The method utilized experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution was then imposed as a pressure boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the effect of porosity changes on the wall was investigated. Also, the effectiveness of this method when only sparse experimental measurements were available has been investigated. The current work demonstrated this approach for low speed flows and compared the results with experimental data obtained from a heavily instrumented variable porosity test section. The approach developed was simple, computationally inexpensive, and did not require extensive or intrusive measurements of the boundary conditions during the wind tunnel test. It may be applied to both solid and porous wall wind tunnel tests.

Beutner, Thomas John↗

Modeling Sound Propagation Through Non-Axisymmetric Jets

A method for computing the far-field adjoint Green's function of the generalized acoustic analogy equations under a locally parallel mean flow approximation is presented. The method is based on expanding the mean-flow-dependent coefficients in the governing equation and the scalar Green's function in truncated Fourier series in the azimuthal direction and a finite difference approximation in the radial direction in circular cylindrical coordinates. The combined spectral/finite difference method yields a highly banded system of algebraic equations that can be efficiently solved using a standard sparse system solver. The method is applied to test cases, with mean flow specified by analytical functions, corresponding to two noise reduction concepts of current interest: the offset jet and the fluid shield. Sample results for the Green's function are given for these two test cases and recommendations made as to the use of the method as part of a RANS-based jet noise prediction code.

Leib, Stewart J.↗

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗

Dimming the Lights: 2D Simulations of Deflagrations of Hybrid C/O/Ne White Dwarfs Using FLASH

The dimmest and most numerous outlier of the Type Ia supernova population, the Type Iax event, is increasingly being found in the results of observational campaigns. There is currently no single accepted model to describe these events. This 2D study explores the viability of modeling Type Iax events as a hybrid C/O/Ne white dwarf progenitor undergoing a deflagration using the multiphysics software FLASH. This hybrid was created using the stellar evolution code MESA, and its C-depleted core and mixed structure have demonstrated lower yields than traditional C/O progenitors in previous deflagration-to-detonation studies. To generate a sample, 30 “realizations” of this simulation were performed, the only difference being the shape of the initial match head used to start the deflagration. Consistent with earlier work, these realizations produce the familiar hot dense bound remnant surrounded by sparse ejecta. Our results indicate that the majority of the star remains unburned (∼70%) and bound (>90%). Our realizations produce total ejecta yields on the order of 10 −2 –10 −1 M ☉ , ejected 56 Ni yields on the order of 10 −4 –10 −2 M ☉ , and ejecta kinetic energies on the order of 10 48 –10 49 erg. Compared to yields inferred from recent observations of the dimmest Type Iax events—SN 2007qd, SN 2008ha, SN 2010ae, SN 2019gsc, SN 2019muj, SN 2020kyg, and SN 2021fcg—our simulation produces comparable 56 Ni yields but too-small total yields and kinetic energies. Reignition of the remnant is also seen in some realizations.

Hydrodynamical simulations↗

Accelerating Random Forest Classification on GPU and FPGA

Random Forests (RFs) are a commonly used machine learning method for classification and regression tasks spanning a variety of application domains, including bioinformatics, business analytics, and software optimization. While prior work has focused primarily on improving performance of the training of RFs, many applications, such as malware identification, cancer prediction, and banking fraud detection, require fast RF classification. In this work, we accelerate RF classification on GPU and FPGA. In order to provide efficient support for large datasets, we propose a hierarchical memory layout suitable to the GPU/FPGA memory hierarchy. We design three RF classification code variants based on that layout, and we investigate GPU- and FPGA-specific considerations for these kernels. Our experimental evaluation, performed on an Nvidia Xp GPU and on a Xilinx Alveo U250 FPGA accelerator card using publicly available datasets on the scale of millions of samples and tens of features, covers various aspects. First, we evaluate the performance benefits of our hierarchical data structure over the standard compressed sparse row (CSR) format. Second, we compare our GPU implementation with cuML, a machine learning library targeting Nvidia GPUs. Third, we explore the performance/accuracy tradeoff resulting from the use of different tree depths in the RF. Finally, we perform a comparative performance analysis of our GPU and FPGA implementations. Our evaluation shows that for high accuracy targets, our GPU implementation yields 5-9x speedup over CSR, and up to a 2x speedup over cuML.

FPGA, Xilinx FPGA, GPU, Random Forest classificati↗