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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 55 records · Page 3

An Upgrade of the Aeroheating Software ''MINIVER''

Detailed computational modeling: CFO often used to create and execute computational domains. Increasing complexity when moving from 20 to 30 geometries. Computational time increased as finer grids are used (accuracy). Strong tool, but takes time to set up and run. MINIVER: Uses theoretical and empirical correlations. Orders of magnitude faster to set up and run. Not as accurate as CFO, but gives reasonable estimations. MINIVER's Drawbacks: Rigid command-line interface. Lackluster, unorganized documentation. No central control; multiple versions exist and have diverged.

Louderback, Pierce↗

Efficient Delaunay Tessellation through K-D Tree Decomposition

Delaunay tessellations are fundamental data structures in computational geometry. They are important in data analysis, where they can represent the geometry of a point set or approximate its density. The algorithms for computing these tessellations at scale perform poorly when the input data is unbalanced. We investigate the use of k-d trees to evenly distribute points among processes and compare two strategies for picking split points between domain regions. Because resulting point distributions no longer satisfy the assumptions of existing parallel Delaunay algorithms, we develop a new parallel algorithm that adapts to its input and prove its correctness. We evaluate the new algorithm using two late-stage cosmology datasets. The new running times are up to 50 times faster using k-d tree compared with regular grid decomposition. Moreover, in the unbalanced data sets, decomposing the domain into a k-d tree is up to five times faster than decomposing it into a regular grid.

Morozov, Dmitriy↗

Geometric model and analysis of rod-like large space structures

The application of geometrical schemes to large sphere antenna reflectors was investigated. The purpose of these studies is to determine the shape and size of flat segmented surfaces which approximate general shells of revolution and in particular spherical and paraboloidal reflective surfaces. The extensive mathematical and computational geometry analyses of the reflector resulted in the development of a general purpose computer program. This program is capable of generating the complete design parameters of the dish and can meet stringent accuracy requirements. The computer program also includes a graphical self contained subroutine which graphically displays the required design.

Nayfeh, A. H.↗

A spectral metric for collider geometry

By quantifying the distance between two collider events, one can triangulate a metric space and reframe collider data analysis as computational geometry. One popular geometric approach is to first represent events as an energy flow on an idealized celestial sphere and then define the metric in terms of optimal transport in two dimensions. In this paper, we advocate for representing events in terms of a spectral function that encodes pairwise particle angles and products of particle energies, which enables a metric distance defined in terms of one-dimensional optimal transport. This approach has the advantage of automatically incorporating obvious isometries of the data, like rotations about the colliding beam axis. It also facilitates first-principles calculations, since there are simple closed-form expressions for optimal transport in one dimension. Up to isometries and event sets of measure zero, the spectral representation is unique, so the metric on the space of spectral functions is a metric on the space of events. At lowest order in perturbation theory in electron-positron collisions, our metric is simply the summed squared invariant masses of the two event hemispheres. Going to higher orders, we present predictions for the distribution of metric distances between jets in fixed-order and resummed perturbation theory as well as in parton-shower generators. Finally, we speculate on whether the spectral approach could furnish a useful metric on the space of quantum field theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A massively-parallel, unstructured overset method for mesh connectivity

Here we present a method that dynamically and efficiently performs connectivity calculations between many O(10 5 ) moving, unstructured overset meshes in parallel. In order to connect overset meshes, elements exterior to the solution domain must be removed from the simulation. In regions with many overlapping meshes, elements must be selectively removed to reduce redundancy while maintaining a solution over the entire domain. Around masked regions interpolation partner pairing is required between meshes to provide boundary conditions. For general unstructured meshes, these steps involve challenging computational geometry calculations which must be efficient and automatic. For many moving meshes each step must be massively parallelized and scalable to large numbers of computational cores. To establish communication patterns a parallelized master/slave algorithm is used which minimizes global communication and storage. To remove elements a parallel ‘Forest Fire’ flood-fill algorithm is used to set a masking variable. For interpolation partner pairing, and other necessary searches, k-dimensional tree data structures (k-d trees) are extensively used. Often in a calculation, the connectivity between overset meshes remains largely the same between time steps. The temporal coherence of the various objects in the connectivity calculation is directly used to only update necessary information with time, resulting in substantial cost savings. Details of the different algorithms are presented. Resulting connectivity and timings are shown for complex geometries. Parallel scaling is demonstrated for 100,000 spherical particles within a channel up to 492,000 processors.

97 MATHEMATICS AND COMPUTING↗

High-Resolution X-Ray and Neutron Computed Tomography of an Engine Combustion Network Spray G Gasoline Injector

Given the importance of the fuel-injection process on the combustion and emissions performance of gasoline direct injected engines, there has been significant recent interest in understanding the fluid dynamics within the injector, particularly around the needle and through the nozzles. Furthermore, the pressure losses and transients that occur in the flow passages above the needle are also of interest. Simulations of these injectors typically use the nominal design geometry, which does not always match the production geometry. Computed tomography (CT) using x-ray and neutron sources can be used to obtain the real geometry from production injectors, but there are trade-offs in using these techniques. X-ray CT provides high resolution, but cannot penetrate through the thicker parts of the injector. Neutron CT has excellent penetrating power but lower resolution. Here, we present results from a joint effort to characterize a gasoline direct injector representative of the Spray G injector as defined by the Engine Combustion Network. High-resolution (1.2 to 3 µm) x-ray CT measurements from the Advanced Photon Source at Argonne National Laboratory were combined with moderate-resolution (40 µm) neutron CT measurements from the High Flux Isotope Reactor at Oak Ridge National Laboratory to generate a complete internal geometry for the injector. This effort combined the strengths of both facilities’ capabilities, with extremely fine spatially resolved features in the nozzles and injector tips and fine resolution of internal features of the needle along the length of injector. Analysis of the resulting surface model of the internal fluid flow volumes of the injector reveals how the internal cross-sectional area and nozzle hole geometry differs slightly from the design dimensions. A simplified numerical simulation of the internal flow shows how deviations from the design geometry can alter the flow inside the sac and holes. Our results of this study will provide computational modelers with very accurate solid and surface models for use in computational fluid dynamics studies and experimentalists with increased insight into the operating characteristics of their injectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Preliminary Assessment of Step Effects on the BOLT Geometry in Mach 6 Flow

An infrared thermography measurement technique has been installed in the Langley Aerothermodynamic Laboratory. The system is calibrated for use with commercially available thermoplastics and ceramic materials, and to the surface temperature ranges when exposed to the facility hypersonic flow. Herein an uncertainty quantification is performed, revealing 5% surface temperature and 20% heat transfer uncertainty bands to two-sigma confidence. As a first application of the test measurement technique, an investigation was conducted to explore the correlation between the height of forward facing (FF) and rearward facing (RF) two-dimensional steps, free stream Reynolds number, and the onset of boundary layer transition from laminar to turbulent in Mach 6 flow on a 50% scale Boundary Layer Transition (BOLT) flight test vehicle geometry. Computational predictions were generated to identify potential x/L locations of transition onset for various flow conditions with a smooth outer mold line geometry and are compared to experimental results. The BOLT Step Test was conducted in the NASA Langley Aerothermodynamic Laboratory 20-inch Mach 6 wind tunnel at Reynolds numbers between 1.4 and 11.3 million conditions for various step heights. Data were collected using a developmental infrared thermography test technique and reduced to heat transfer for comparison with CFD solutions. This is a preliminary assessment of the developmental infrared thermography test technique used to acquire and reduce the experimental data. insight into the ongoing comparative analysis of the effects of FF and RF steps on boundary layer transition for the BOLT geometry in Mach 6 flow.

BOLT↗

A Preliminary Assessment of Step Effects on the BOLT Geometry in Mach 6 Flow

An infrared thermography measurement technique has been installed in the Langley Aerothermodynamic Laboratory. The system is calibrated for use with commercially available thermoplastics and ceramic materials, and to the surface temperature ranges when exposed to the facility hypersonic flow. Herein an uncertainty quantification is performed, revealing 5% surface temperature and 20% heat transfer uncertainty bands to two-sigma confidence. As a first application of the test measurement technique, an investigation was conducted to explore the correlation between the height of forward facing (FF) and rearward facing (RF) two-dimensional steps, free stream Reynolds number, and the onset of boundary layer transition from laminar to turbulent in Mach 6 flow on a 50% scale Boundary Layer Transition (BOLT) flight test vehicle geometry. Computational predictions were generated to identify potential x/L locations of transition onset for various flow conditions with a smooth outer mold line geometry and are compared to experimental results. The BOLT Step Test was conducted in the NASA Langley Aerothermodynamic Laboratory 20-inch Mach 6 wind tunnel at Reynolds numbers between 1.4 and 11.3 million conditions for various step heights. Data were collected using a developmental infrared thermography test technique and reduced to heat transfer for comparison with CFD solutions. This is a preliminary assessment of the developmental infrared thermography test technique used to acquire and reduce the experimental data. insight into the ongoing comparative analysis of the effects of FF and RF steps on boundary layer transition for the BOLT geometry in Mach 6 flow.

BOLT↗

GASP- General Aviation Synthesis Program. Volume 2: Geometry

The gross characteristics of an aircraft under study are specified to the subroutines SIZE. The principal quantities specified are both geometric (lengths and areas) and operational (altitude and Mach number). The sequence of computations carried out by SIZE is controlled by the parameter NPC which is passed into SIZE by COMMON. When NPC-0, the computation is initialized. Subsequently, NPC is set to 2 and the program advances through the geometric computations. Geometry models for the fuselage, wing, empennage, cabin pressurization, and nacelle area are examined.

Hague, D.↗

Efficient Implementation of an Optimal Interpolator for Large Spatial Data Sets

Interpolating scattered data points is a problem of wide ranging interest. A number of approaches for interpolation have been proposed both from theoretical domains such as computational geometry and in applications' fields such as geostatistics. Our motivation arises from geological and mining applications. In many instances data can be costly to compute and are available only at nonuniformly scattered positions. Because of the high cost of collecting measurements, high accuracy is required in the interpolants. One of the most popular interpolation methods in this field is called ordinary kriging. It is popular because it is a best linear unbiased estimator. The price for its statistical optimality is that the estimator is computationally very expensive. This is because the value of each interpolant is given by the solution of a large dense linear system. In practice, kriging problems have been solved approximately by restricting the domain to a small local neighborhood of points that lie near the query point. Determining the proper size for this neighborhood is a solved by ad hoc methods, and it has been shown that this approach leads to undesirable discontinuities in the interpolant. Recently a more principled approach to approximating kriging has been proposed based on a technique called covariance tapering. This process achieves its efficiency by replacing the large dense kriging system with a much sparser linear system. This technique has been applied to a restriction of our problem, called simple kriging, which is not unbiased for general data sets. In this paper we generalize these results by showing how to apply covariance tapering to the more general problem of ordinary kriging. Through experimentation we demonstrate the space and time efficiency and accuracy of approximating ordinary kriging through the use of covariance tapering combined with iterative methods for solving large sparse systems. We demonstrate our approach on large data sizes arising both from synthetic sources and from real applications.

Memarsadeghi, Nargess↗

Comparison of nested geometry treatments within GPU-based Monte Carlo neutron transport simulations of fission reactors

Monte Carlo (MC) neutron transport provides detailed estimates of radiological quantities within fission reactors. This involves tracking individual neutrons through a computational geometry. CPU-based MC codes use multiple polymorphic tracker types with different tracking algorithms to exploit the repeated configurations of reactors, but virtual function calls have high overhead on the GPU. The Shift MC code was modified to support GPU-based tracking with three strategies: dynamic polymorphism with virtual functions, static polymorphism, and a single tracker type with tree-based acceleration. On the Frontier supercomputer these methods achieve 77.8%, 91.2%, and 83.4%, respectively, of the tracking rate obtained using a specialized tracker optimized for rectilinear-grid-based reactors. This indicates that all three methods are suitable for typical reactor problems in which tracking does not dominate runtime. The flexibility of the single tracker method is highlighted with a hexagonal-grid microreactor problem, performed without hexagonal-grid-specific tracking routines, providing a 2.19× speedup over CPU execution.

97 MATHEMATICS AND COMPUTING↗

On the Interaction of CO and NH3 with BH3 and BF3

BH3CO, BF3CO, BH3NH3, and BF3NH3 have been studied using density functional theory (DFT). The computed geometries are in reasonable agreement with experiment. BF3CO is found to be weakly bound. The binding energies of BH3CO, BH3NH3 , and BF3NH3 have also been computed using the coupled cluster singles and doubles level of theory, including a perturbational estimate of the connected triples [CCSD(T)]. These CCSD(T) calculations are performed using correlation consistent polarized-valence triple-zeta basis sets. These are expected to be the most accurate binding energies to date. The DFT binding energies are in good agreement with those obtained at the CCSD(T) level. The bonding is analyzed using the constrained space orbital variation (CSOV) technique. In addition to analyzing the bonding in BH3CO, BH3NH3, and BF3NH3, the CSOV approach is used to study why the bonding in BF3CO is so weak.

Bauschlicher, Charles W., Jr.↗

Kinetics of particles with short-range interactions

Self-assembly is one of the grand challenges of the 21st century – as the devices and materials we would like to build become too complex or small-scale for top-down manufacturing to be efficient, it is increasingly important to find ways to create these through bottom-up, dynamical approaches. Many particles used in self-assembly have very short-ranged attractive interactions, making simulations expensive or impossible. This proposal develops a set of conceptual and computational tools to study the dynamics of self-assembly for particles with short-ranged interactions, harnessing ideas in differential and computational geometry, and stochastic analysis, to accelerate simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗

Transonic flow analysis for rotors. Part 1: Three-dimensional quasi-steady, full-potential calculation

A new computer program is presented for calculating the quasi-steady transonic flow past a helicopter rotor blade in hover as well as in forward flight. The program is based on the full potential equations in a blade attached frame of reference and is capable of treating a very general class of rotor blade geometries. Computed results show good agreement with available experimental data for both straight and swept tip blade geometries.

Chang, I. C.↗

A tensor train-based isogeometric solver for large-scale 3D poisson problems

We introduce a three-dimensional (3D), fully tensor train (TT) assembled isogeometric analysis (IGA) framework, TT-IGA, for solving partial differential equations (PDEs). Our method reformulates IGA discrete operators into TT format, enabling efficient compression and computation. Geometry evaluations use the original NURBS description at sampling points and TT approximation is applied to geometry-derived coefficient fields and discrete operators. We demonstrate the effectiveness of the proposed TT-IGA framework on the three-dimensional Poisson equation, achieving substantial reductions in memory and computational cost without compromising solution quality.

97 MATHEMATICS AND COMPUTING↗

Anytime query-tuned kernel machine classifiers via Cholesky factorization

We recently demonstrated 2 to 64-fold query-time speedups of Support Vector Machine and Kernel Fisher classifiers via a new computational geometry method for anytime output bounds (DeCoste,2002). This new paper refines our approach in two key ways. First, we introduce a simple linear algebra formulation based on Cholesky factorization, yielding simpler equations and lower computational overhead. Second, this new formulation suggests new methods for achieving additional speedups, including tuning on query samples. We demonstrate effectiveness on benchmark datasets.

Kernel Cholesky MNIST↗

Multisource inverse-geometry CT. Part I. System concept and development

Purpose: This paper presents an overview of multisource inverse-geometry computed tomography (IGCT) as well as the development of a gantry-based research prototype system. The development of the distributed x-ray source is covered in a companion paper [V. B. Neculaes et al., “Multisource inverse-geometry CT. Part II. X-ray source design and prototype,” Med. Phys. 43, 4617–4627 (2016)]. While progress updates of this development have been presented at conferences and in journal papers, this paper is the first comprehensive overview of the multisource inverse-geometry CT concept and prototype. The authors also provide a review of all previous IGCT related publications. Methods: The authors designed and implemented a gantry-based 32-source IGCT scanner with 22 cm field-of-view, 16 cm z-coverage, 1 s rotation time, 1.09 × 1.024 mm detector cell size, as low as 0.4 × 0.8 mm focal spot size and 80–140 kVp x-ray source voltage. The system is built using commercially available CT components and a custom made distributed x-ray source. The authors developed dedicated controls, calibrations, and reconstruction algorithms and evaluated the system performance using phantoms and small animals. Results: The authors performed IGCT system experiments and demonstrated tube current up to 125 mA with up to 32 focal spots. The authors measured a spatial resolution of 13 lp/cm at 5% cutoff. The scatter-to-primary ratio is estimated 62% for a 32 cm water phantom at 140 kVp. The authors scanned several phantoms and small animals. The initial images have relatively high noise due to the low x-ray flux levels but minimal artifacts. Conclusions: IGCT has unique benefits in terms of dose-efficiency and cone-beam artifacts, but comes with challenges in terms of scattered radiation and x-ray flux limits. To the authors’ knowledge, their prototype is the first gantry-based IGCT scanner. The authors summarized the design and implementation of the scanner and the authors presented results with phantoms and small animals.

60 APPLIED LIFE SCIENCES↗

Efficient Implementation of an Optimal Interpolator for Large Spatial Data Sets

Scattered data interpolation is a problem of interest in numerous areas such as electronic imaging, smooth surface modeling, and computational geometry. Our motivation arises from applications in geology and mining, which often involve large scattered data sets and a demand for high accuracy. The method of choice is ordinary kriging. This is because it is a best unbiased estimator. Unfortunately, this interpolant is computationally very expensive to compute exactly. For n scattered data points, computing the value of a single interpolant involves solving a dense linear system of size roughly n x n. This is infeasible for large n. In practice, kriging is solved approximately by local approaches that are based on considering only a relatively small'number of points that lie close to the query point. There are many problems with this local approach, however. The first is that determining the proper neighborhood size is tricky, and is usually solved by ad hoc methods such as selecting a fixed number of nearest neighbors or all the points lying within a fixed radius. Such fixed neighborhood sizes may not work well for all query points, depending on local density of the point distribution. Local methods also suffer from the problem that the resulting interpolant is not continuous. Meyer showed that while kriging produces smooth continues surfaces, it has zero order continuity along its borders. Thus, at interface boundaries where the neighborhood changes, the interpolant behaves discontinuously. Therefore, it is important to consider and solve the global system for each interpolant. However, solving such large dense systems for each query point is impractical. Recently a more principled approach to approximating kriging has been proposed based on a technique called covariance tapering. The problems arise from the fact that the covariance functions that are used in kriging have global support. Our implementations combine, utilize, and enhance a number of different approaches that have been introduced in literature for solving large linear systems for interpolation of scattered data points. For very large systems, exact methods such as Gaussian elimination are impractical since they require 0(n(exp 3)) time and 0(n(exp 2)) storage. As Billings et al. suggested, we use an iterative approach. In particular, we use the SYMMLQ method, for solving the large but sparse ordinary kriging systems that result from tapering. The main technical issue that need to be overcome in our algorithmic solution is that the points' covariance matrix for kriging should be symmetric positive definite. The goal of tapering is to obtain a sparse approximate representation of the covariance matrix while maintaining its positive definiteness. Furrer et al. used tapering to obtain a sparse linear system of the form Ax = b, where A is the tapered symmetric positive definite covariance matrix. Thus, Cholesky factorization could be used to solve their linear systems. They implemented an efficient sparse Cholesky decomposition method. They also showed if these tapers are used for a limited class of covariance models, the solution of the system converges to the solution of the original system. Matrix A in the ordinary kriging system, while symmetric, is not positive definite. Thus, their approach is not applicable to the ordinary kriging system. Therefore, we use tapering only to obtain a sparse linear system. Then, we use SYMMLQ to solve the ordinary kriging system. We show that solving large kriging systems becomes practical via tapering and iterative methods, and results in lower estimation errors compared to traditional local approaches, and significant memory savings compared to the original global system. We also developed a more efficient variant of the sparse SYMMLQ method for large ordinary kriging systems. This approach adaptively finds the correct local neighborhood for each query point in the interpolation process.

Memarsadeghi, Nargess↗