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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Fast and Accurate Intersections on a Sphere

We introduce a fast, high-precision algorithm for calculating intersections between great circle arcs and lines of constant latitude on the unit sphere. We first propose a simplified intersection point formula with improved speed and numerical robustness over the ones traditionally implemented in geoscience software. We then show how algorithms based on the concept of error-free transformations (EFT) can be applied to evaluate this formula within a relative error bound that is on the order of machine precision. Here, we demonstrate that, with a vectorized and parallelized implementation, this enhanced accuracy is achieved with no compute time overhead compared to a direct calculation in hardware floating point, making our algorithm suitable for performance-sensitive applications like regridding of high-resolution climate data. In contrast, evaluating our formula using high-precision data types like quadruple precision and arbitrary precision, or using the robust intersection computation routines from the Computational Geometry Algorithms Library, leads to significant computational overhead, especially since these alternatives inhibit vectorization. More generally, our work demonstrates how EFT techniques can be combined and extended to implement nontrivial geometric calculations with high accuracy and speed.

Environmental sciences↗
NASA NTRS1988

GENIE - Generation of computational geometry-grids for internal-external flow configurations

Progress realized in the development of a master geometry-grid generation code GENIE is presented. The grid refinement process is enhanced by developing strategies to utilize bezier curves/surfaces and splines along with weighted transfinite interpolation technique and by formulating new forcing function for the elliptic solver based on the minimization of a non-orthogonality functional. A two step grid adaptation procedure is developed by optimally blending adaptive weightings with weighted transfinite interpolation technique. Examples of 2D-3D grids are provided to illustrate the success of these methods.

Soni, B. K.↗
NASA NTRS1996

I/O-Efficient Scientific Computation Using TPIE

In recent years, input/output (I/O)-efficient algorithms for a wide variety of problems have appeared in the literature. However, systems specifically designed to assist programmers in implementing such algorithms have remained scarce. TPIE is a system designed to support I/O-efficient paradigms for problems from a variety of domains, including computational geometry, graph algorithms, and scientific computation. The TPIE interface frees programmers from having to deal not only with explicit read and write calls, but also the complex memory management that must be performed for I/O-efficient computation. In this paper we discuss applications of TPIE to problems in scientific computation. We discuss algorithmic issues underlying the design and implementation of the relevant components of TPIE and present performance results of programs written to solve a series of benchmark problems using our current TPIE prototype. Some of the benchmarks we present are based on the NAS parallel benchmarks while others are of our own creation. We demonstrate that the central processing unit (CPU) overhead required to manage I/O is small and that even with just a single disk, the I/O overhead of I/O-efficient computation ranges from negligible to the same order of magnitude as CPU time. We conjecture that if we use a number of disks in parallel this overhead can be all but eliminated.

Vengroff, Darren Erik↗
NASA NTRS1996

A Comparison of Computed and Experimental Flowfields of the RAH-66 Helicopter

This paper compares and evaluates numerical and experimental flowfields of the RAH-66 Comanche helicopter. The numerical predictions were obtained by solving the Thin-Layer Navier-Stokes equations. The computations use actuator disks to investigate the main and tail rotor effects upon the fuselage flowfield. The wind tunnel experiment was performed in the 14 x 22 foot facility located at NASA Langley. A suite of flow conditions, rotor thrusts and fuselage-rotor-tail configurations were tested. In addition, the tunnel model and the computational geometry were based upon the same CAD definition. Computations were performed for an isolated fuselage configuration and for a rotor on configuration. Comparisons between the measured and computed surface pressures show areas of correlation and some discrepancies. Local areas of poor computational grid-quality and local areas of geometry differences account for the differences. These calculations demonstrate the use of advanced computational fluid dynamic methodologies towards a flight vehicle currently under development. It serves as an important verification for future computed results.

vanDam, C. P.↗
DOE OSTI2023

An extension to V ORO ++ for multithreaded computation of Voronoi cells

V ORO ++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. V ORO ++ was released in 2009 and is based on computing the Voronoi cell for each particle individually. Here, we take advantage of modern computer hardware, and extend the original serial version to allow for multithreaded computation of Voronoi cells via the OpenMP application programming interface. We test the performance of the code, and demonstrate that it can achieve parallel efficiencies greater than 95% in many cases. Further, the multithreaded extension follows standard OpenMP programming paradigms, allowing it to be incorporated into other programs. We provide an example of this using the VoroTop software library, performing a multithreaded Voronoi cell topology analysis of up to 102.4 million particles.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2013

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↗
NASA NTRS1978

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.↗
DOE OSTI2023

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↗
NASA NTRSDate not supplied

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↗
NASA NTRSDate not supplied

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↗
NASA NTRS1978

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.↗
NASA NTRS2007

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↗
DOE OSTI2025

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↗
NASA NTRS1994

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.↗
DOE OSTI2022

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↗