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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Transition Delay via Vortex Generators in a Hypersonic Boundary Layer at Flight Conditions

The potential of realizable, stationary streaks undergoing non-modal growth to stabilize a hypersonic boundary-layer flow and, subsequently, delay the laminar-turbulent transition onset, is studied via numerical computations. The geometry and flow conditions are selected to match a relevant trajectory location from the ascent phase of the HIFiRE-1 flight experiment, namely, a 7-degree half-angle cone with 2.5 mm nose radius, freestream Mach number of 5.30, freestream unit Reynolds number equal to 13.42 x 10(exp 6)/m, and wall-to-adiabatic temperature ratio of approximately 0.35 over most of the test article. This paper investigates flow modifications induced by wall-mounted vortex generators (VGs), followed by an analysis of the modal instability of the perturbed, streaky boundary-layer flow. Results are presented both for a single array of VGs that was designed on the basis of optimal growth theory and for a VG configuration involving two separate arrays with opposite orientations that ware designed to provide staged control of flow instabilities while simultaneously reducing the amplification of streak instabilities resulting from the control devices. Earlier research had shown that the onset of transition during the HIFiRE-1 flight experiment, which did not include any control devices, correlated with an amplification factor of N = 14.7 for the planar Mack modes. If one assumes that the transition N -factor is not affected by the introduction of the VGs, then the control configurations based on a single array of VGs and two separate arrays would result in a transition delay of 17% and 40%, respectively. These findings suggest a passive flow control s to induce streaks that would delay transition in hypersonic boundary dominated by Mack-mode instabilities.

Incompressible boundary layer↗
NASA NTRSDate not supplied

Detect-and-Avoid Maneuver Planning: Benefits of Including Route Recapture

Development of Detect-and-avoid (DAA) systems’ maneuver guidance requirements at RTCA has centered on tactical maneuvers away from the intruder. Recapturing the flight-plan route the initial maneuver is not directly taken into account by most DAA maneuver guidance algorithms. This work demonstrates potential challenges and inefficiencies that can arise in recapturing the route after resolving a conflict. Horizontal resolution trajectories for a test matrix of encounters with varying aircraft speeds and geometries are computed by minimizing either flight time or deviation to serve as a baseline. Turn directions computed from a reference DAA algorithm coupled with a pilot selection model and a second algorithm called Autoresolver (AR) are compared to these baseline resolution trajectories. Baseline results show that turning into the intruder yields favorable cost for most encounters. Additional analysis of pilot response data shows that only three-fourths of pilots’ horizontal maneuvers turn into intruders, a percentage much lower than the baseline results. Improvement to a DAA guidance algorithm based on findings in this work is discussed.

Route Recapture↗
NASA NTRSDate not supplied

Detect-and-Avoid Maneuver Planning: Benefits of Including Route Recapture

Development of Detect-and-avoid (DAA) systems’ maneuver guidance requirements at RTCA has centered on tactical maneuvers away from the intruder. Recapturing the flight-plan route the initial maneuver is not directly taken into account by most DAA maneuver guidance algorithms. This work demonstrates potential challenges and inefficiencies that can arise in recapturing the route after resolving a conflict. Horizontal resolution trajectories for a test matrix of encounters with varying aircraft speeds and geometries are computed by minimizing either flight time or deviation to serve as a baseline. Turn directions computed from a reference DAA algorithm coupled with a pilot selection model and a second algorithm called Autoresolver (AR) are compared to these baseline resolution trajectories. Baseline results show that turning into the intruder yields favorable cost for most encounters. Additional analysis of pilot response data shows that only three-fourths of pilots’ horizontal maneuvers turn into intruders, a percentage much lower than the baseline results. Improvement to a DAA guidance algorithm based on findings in this work is discussed.

Route Recapture↗
NASA NTRSDate not supplied

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni3(Al,Ti)1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment. We acknowledge funding of the guided design of stronger superalloys for airspace by NASA Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

Computational↗
NASA NTRS2022

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni_3(Al_{1-x}Ti_x)_1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment.

density functional theory↗
NASA NTRSDate not supplied

Porous Microstructure Analysis (PuMA) software

- Motivation and objectives - Overview of PuMA - Open-source release - Material properties computation - Artificial geometry generation - Property homogenization for anisotropic media - Fiber orientation - Conductivity - Elasticity - Permeability

homogenization↗
NASA NTRSDate not supplied

Efficient and Singularity-Aware Inverse Kinematics for 6-DOF and 7-DOF Revolute Manipulators

Inverse kinematics (IK) for 6-DOF and 7-DOF revolute robot manipulators may be decomposed into canonical subproblems which find the angles on circles where they intersect with other geometric objects. We present new algebraic solutions and geometric interpretations for six subproblems. We demonstrate significant performance improvements over existing IK methods. 7-DOF manipulators have one redundant DOF to parameterize, so we introduce the general SEW angle, which generalizes the conventional SEW angle but with an arbitrary reference direction function. One special choice, the stereographic SEW angle, has a singularity when the wrist is on a half-line instead of a full line.

Computational Geometry↗
DOE OSTI2024

Evaluating the Use of Foundational Chemical Language Models in Multimodal Graph Fusion

Rapid and accurate prediction of the physicochemical properties of molecules given their structures remains a key challenge in cheminformatics. Machine learning approaches offer high-throughput options, but the optimality of inductive biases and data representations are up for debate. For example, BERT-based masked language models (MLMs) can be trained in a self-supervised way on hundreds of millions to billions of readily available SMILES strings. Another option is graph neural networks (GNNs), which can operate directly on molecular structures. Yet, generating accurate molecular geometry is computationally expensive, leading to a relative scarcity in data compared to SMILES strings. It is attractive to combine these two paradigms by pre-training an LM on a large corpus of SMILES strings and embedding these representation into a geometric graph neural network. Despite the promise of such an approach, and contrary to previous studies, we find mixed results with the combination of the LMs and GNNs on several molecule datasets. In particular, we found evidence for improvement on the FreeSolv and QM7 benchmarks, but degraded performance on the ESOL, LIPO and QM9 datasets compared to a GNN baseline.

Francel, Collin [University of Alabama]↗
DOE OSTI2025

Computational Power of Random Quantum Circuits in Arbitrary Geometries

Empirical evidence for a gap between the computational powers of classical and quantum computers has been provided by experiments that sample the output distributions of two-dimensional quantum circuits. Many attempts to close this gap have utilized classical simulations based on tensor network techniques, and their limitations shed light on the improvements to quantum hardware required to frustrate classical simulability. In particular, quantum computers having in excess of approximately 50 qubits are primarily vulnerable to classical simulation due to restrictions on their gate fidelity and their connectivity, the latter determining how many gates are required (and, therefore, how much infidelity is suffered) in generating highly entangled states. Here, we describe recent hardware upgrades to Quantinuum’s H2 quantum computer, enabling it to operate on up to 56 qubits with arbitrary connectivity and 99.843(5)% two-qubit gate fidelity. We define a class of circuits with random geometries that become hard to classically simulate in very low depth and implement them utilizing the flexible connectivity of H2. A careful analysis demonstrating the fast saturation of classical simulation complexity with depth indicates that H2 can yield data well beyond the reach of state-of-the art classical simulation methods at unprecedented fidelities. We find that the considerable difficulty of classically simulating H2 is likely limited only by qubit number, demonstrating the promise and scalability of the quantum charge-coupled device architecture as continued progress is made toward building larger machines. Published by the American Physical Society 2025

DeCross, M.↗
NASA NTRS2002

Geometry Modeling and Grid Generation for Computational Aerodynamic Simulations Around Iced Airfoils and Wings

Issues associated with analysis of 'icing effects' on airfoil and wing performances are discussed, along with accomplishments and efforts to overcome difficulties with ice. Because of infinite variations of ice shapes and their high degree of complexity, computational 'icing effects' studies using available software tools must address many difficulties in geometry acquisition and modeling, grid generation, and flow simulation. The value of each technology component needs to be weighed from the perspective of the entire analysis process, from geometry to flow simulation. Even though CFD codes are yet to be validated for flows over iced airfoils and wings, numerical simulation, when considered together with wind tunnel tests, can provide valuable insights into 'icing effects' and advance our understanding of the relationship between ice characteristics and their effects on performance degradation.

Choo, Yung K.↗
NASA NTRS1999

On the Use of CAD-Native Predicates and Geometry in Surface Meshing

Several paradigms for accessing computer-aided design (CAD) geometry during surface meshing for computational fluid dynamics are discussed. File translation, inconsistent geometry engines, and nonnative point construction are all identified as sources of nonrobustness. The paper argues in favor of accessing CAD parts and assemblies in their native format, without translation, and for the use of CAD-native predicates and constructors in surface mesh generation. The discussion also emphasizes the importance of examining the computational requirements for exact evaluation of triangulation predicates during surface meshing.

Aftosmis, M. J.↗
NASA NTRS1987

Helical gears with circular arc teeth: Generation, geometry, precision and adjustment to errors, computer aided simulation of conditions of meshing and bearing contact

The authors have proposed a method for the generation of circular arc helical gears which is based on the application of standard equipment, worked out all aspects of the geometry of the gears, proposed methods for the computer aided simulation of conditions of meshing and bearing contact, investigated the influence of manufacturing and assembly errors, and proposed methods for the adjustment of gears to these errors. The results of computer aided solutions are illustrated with computer graphics.

Litvin, Faydor L.↗
NASA NTRS1982

Use of interactive graphics to analyze QUICK-geometry: Supplement

The advantages of using interactive computer graphics to display aircraft geometry to aid in detection and analysis of errors are described. The QUICK geometry system is reviewed and the Quick Interactive Graphics Analysis (QUIAGA) program is described. This QUIAGA program was developed to exercise the QUICK geometry subroutines to examine in several modes on a graphics terminal. Its use in the detection and analysis of errors in the QUICK geometry definition can be of great assistance in speedily arriving at a correct analytical geometry description for flow field computation. Experience with the program in developing a QUICK geometry model of the NASA Space Shuttle Orbiter is used to show some of its features. Appendixes giving details of program usage and an example session are included.

Townsend, J. C.↗
NASA NTRS1998

A Geometry Based Infra-Structure for Computational Analysis and Design

The computational steps traditionally taken for most engineering analysis suites (computational fluid dynamics (CFD), structural analysis, heat transfer and etc.) are: (1) Surface Generation -- usually by employing a Computer Assisted Design (CAD) system; (2) Grid Generation -- preparing the volume for the simulation; (3) Flow Solver -- producing the results at the specified operational point; (4) Post-processing Visualization -- interactively attempting to understand the results. For structural analysis, integrated systems can be obtained from a number of commercial vendors. These vendors couple directly to a number of CAD systems and are executed from within the CAD Graphical User Interface (GUI). It should be noted that the structural analysis problem is more tractable than CFD; there are fewer mesh topologies used and the grids are not as fine (this problem space does not have the length scaling issues of fluids). For CFD, these steps have worked well in the past for simple steady-state simulations at the expense of much user interaction. The data was transmitted between phases via files. In most cases, the output from a CAD system could go to Initial Graphics Exchange Specification (IGES) or Standard Exchange Program (STEP) files. The output from Grid Generators and Solvers do not really have standards though there are a couple of file formats that can be used for a subset of the gridding (i.e. PLOT3D data formats). The user would have to patch up the data or translate from one format to another to move to the next step. Sometimes this could take days. Specifically the problems with this procedure are:(1) File based -- Information flows from one step to the next via data files with formats specified for that procedure. File standards, when they exist, are wholly inadequate. For example, geometry from CAD systems (transmitted via IGES files) is defined as disjoint surfaces and curves (as well as masses of other information of no interest for the Grid Generator). This is particularly onerous for modern CAD systems based on solid modeling. The part was a proper solid and in the translation to IGES has lost this important characteristic. STEP is another standard for CAD data that exists and supports the concept of a solid. The problem with STEP is that a solid modeling geometry kernel is required to query and manipulate the data within this type of file. (2) 'Good' Geometry. A bottleneck in getting results from a solver is the construction of proper geometry to be fed to the grid generator. With 'good' geometry a grid can be constructed in tens of minutes (even with a complex configuration) using unstructured techniques. Adroit multi-block methods are not far behind. This means that a million node steady-state solution can be computed on the order of hours (using current high performance computers) starting from this 'good' geometry. Unfortunately, the geometry usually transmitted from the CAD system is not 'good' in the grid generator sense. The grid generator needs smooth closed solid geometry. It can take a week (or more) of interaction with the CAD output (sometimes by hand) before the process can begin. One way Communication. (3) One-way Communication -- All information travels on from one phase to the next. This makes procedures like node adaptation difficult when attempting to add or move nodes that sit on bounding surfaces (when the actual surface data has been lost after the grid generation phase). Until this process can be automated, more complex problems such as multi-disciplinary analysis or using the above procedure for design becomes prohibitive. There is also no way to easily deal with this system in a modular manner. One can only replace the grid generator, for example, if the software reads and writes the same files. Instead of the serial approach to analysis as described above, CAPRI takes a geometry centric approach. This makes the actual geometry (not a discretized version) accessible to all phases of the analysis. The connection to the geometry is made through an Application Programming Interface (API) and NOT a file system. This API isolates the top-level applications (grid generators, solvers and visualization components) from the geometry engine. Also this allows the replacement of one geometry kernel with another, without effecting these top-level applications. For example, if UniGraphics is used as the CAD package then Parasolid (UG's own geometry engine) can be used for all geometric queries so that no solid geometry information is lost in a translation. This is much better than STEP because when the data is queried, the same software is executed as used in the CAD system. Therefore, one analyzes the exact part that is in the CAD system. CAPRI uses the same idea as the commercial structural analysis codes but does not specify control. Software components of the CAD system are used, but the analysis suite, not the CAD operator, specifies the control of the software session. This also means that the license issues (may be) minimized and individuals need not have to know how to operate a CAD system in order to run the suite.

Haimes, Robert↗
NASA NTRS1982

Investigations of flowfields found in typical combustor geometries

Measurements and computations are being applied to an axisymmetric swirling flow, emerging from swirl vanes at angle phi, entering a large chamber test section via a sudden expansion of various side-wall angles alpha. New features are: the turbulence measurements are being performed on swirling as well as nonswirling flow; and all measurements and computations are also being performed on a confined jet flowfield with realistic downstream blockage. Recent activity falls into three categories: (1) Time-mean flowfield characterization by five-hole pitot probe measurements and by flow visualization; (2) Turbulence measurements by a variety of single- and multi-wire hot-wire probe techniques; and (3) Flowfield computations using the computer code developed during the previous year's research program.

Lilley, D. G.↗
NASA NTRS1991

Algebraic grid generation for complex geometries

An efficient computer program called GRID2D/3D has been developed to generate single and composite grid systems within geometrically complex two- and three-dimensional (2D and 3D) spatial domains that can deform with time. GRID2D/3D generates single grid systems by using algebraic grid generation methods based on transfinite interpolation. The distribution of grid points within the spatial domain is controlled by stretching functions and grid lines can intersect boundaries of the spatial domain orthogonally. GRID2D/3D generates composite grid systems by patching together two or more single grid systems. The patching can be discontinuous or continuous. For 2D spatial domains the boundary curves are constructed by using either cubic or tension spline interpolation. For 3D spatial domains the boundary surfaces are constructed by using a new technique, developed in this study, referred to as 3D bidirectional Hermite interpolation.

Shih, T. I.-P.↗
NASA NTRS1994

NASA-OAI HPCCP K-12 Program

The NASA-OAI High Performance Communication and Computing K- 12 School Partnership program has been completed. Cleveland School of the Arts, Empire Computech Center, Grafton Local Schools and the Bug O Nay Ge Shig School have all received network equipment and connections. Each school is working toward integrating computer and communications technology into their classroom curriculum. Cleveland School of the Arts students are creating computer software. Empire Computech Center is a magnet school for technology education at the elementary school level. Grafton Local schools is located in a rural community and is using communications technology to bring to their students some of the same benefits students from suburban and urban areas receive. The Bug O Nay Ge Shig School is located on an Indian Reservation in Cass Lake, MN. The students at this school are using the computer to help them with geological studies. A grant has been issued to the friends of the Nashville Library. Nashville is a small township in Holmes County, Ohio. A community organization has been formed to turn their library into a state of the art Media Center. Their goal is to have a place where rural students can learn about different career options and how to go about pursuing those careers. Taylor High School in Cincinnati, Ohio was added to the schools involved in the Wind Tunnel Project. A mini grant has been awarded to Taylor High School for computer equipment. The computer equipment is utilized in the school's geometry class to computationally design objects which will be tested for their aerodynamic properties in the Barberton Wind Tunnel. The students who create the models can view the test in the wind tunnel via desk top conferencing. Two teachers received stipends for helping with the Regional Summer Computer Workshop. Both teachers were brought in to teach a session within the workshop. They were selected to teach the session based on their expertise in particular software applications.

Source record↗
NASA NTRS1990

Computational simulation of flows about hypersonic geometries with sharp leading edges

Hypersonic waverider design has become an important concern in the aerospace industry. As one part of an inverse design effort for waveriders, work has been done to apply existing Euler and Navier-Stokies flow solvers to hypersonic geometries with sharp leading edges. Previously, calculations were done on bodies with rounded leading edges or with conical solutions for the nose initial conditions. In this paper, solutions are computed about waveriders and conical shapes with sharp leading edges without resorting to either shortrcut. All solutions show attached shocks with fully supersonic flows at the nose and along the leading edges. Flows about several waverider shapes are shown, as well as a preliminary cone with inlet calculation to study the shock/inlet interaction.

Jones, Kevin D.↗