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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Nanocrystal Geometry Governs Phase Transformation Pathways in Palladium Hydride

Pathways and structural dynamics of phase transformations impact performance of materials in energy and information storage technologies. Palladium hydride (PdH x ) nanocrystals are an ideal model system for studying solute-induced phase transformations, where elastic energy from lattice mismatch between α-PdH x and β-PdH x phases is often considered a key to determining the transformation pathways. α/β-PdH x interfacial elastic energy is affected by the confined geometry of a nanocrystal. However, how nanocrystal geometry influences phase transformation pathways is largely unknown. Using in situ liquid phase transmission electron microscopy, we directly visualize hydrogenation in Pd nanocrystals with two geometries, a nanocube and a hexagonal nanoplate. Both follow similar sequences of an initially curved nucleus, interface flattening, and reverse-stage nucleation; however, their evolving α/β-PdH x interfaces exhibit geometry-dependent crystallographic alignments. In nanocubes, {100}-aligned configurations conform to static elastic energy ordering, representing a pathway that maintains a local mechanical equilibrium, whereas nanoplates display both {110}- and {211}-aligned interfaces. Theoretical simulations show that geometry determines the accessibility of alternative phase transformation pathways as the system is driven far from equilibrium during hydrogenation. In conclusion, these findings identify geometry as a fundamental parameter for directing phase transformation pathways, offering design principles for accessing atypical configurations and improving properties of intercalation-based devices.

Lee, Daewon [Lawrence Berkeley National Laboratory↗
DOE OSTI2024

Optimal Geometry for Focused Ion Beam-Milled Samples for Direct-Pull Micro-Tensile Testing Performed In Situ in a Scanning Electron Microscope

A thorough procedure was developed to efficiently manufacture dogbone samples using focused ion beam (FIB) milling for micro-tensile testing. A Bruker PI 89 PicoIndenter, Billerica, MA, USA, was used as a case study, although the analysis and results are applicable to other micro-mechanical testing systems capable of mounting a standard, Ø12.7 mm × Ø3.2 mm pin, scanning electron microscopy (SEM) pin stub (Ted Pella, Redding, CA, USA). Nine dogbones were made from an Fe-45Cu alloy additively manufactured using powder-fed laser-directed energy deposition (DED-LB). Testing showed that fracture was confined to the gauge section for all dogbones and that the fracture mode, ductile vs. brittle, was entirely dependent on the grain orientation relative to the loading direction. The analysis showed that the measured plastic strain to failure can vary from >11% (optimal geometry) to <1% (non-optimal geometry) in micro-tensile testing of high-tensile-strength (>1 GPa) metallic materials. Subsequently, a finite element analysis (FEA) was conducted to identify the improved dogbone geometries. A total of ten thousand dogbone geometries were tested, and their dimensions were defined by a set of four adjustable parameters (corner radius, load surface angle, load surface length, and dogbone head length). The gauge width and gauge length were fixed to 4 µm and 10 µm, respectively. Three-dimensional surface plots of the stress concentration as a function of two parameters were used to identify the optimal ranges of parameter values. The addition of maximum width and length constraints, measuring 25 µm and 30 µm, respectively, allowed us to identify an optimal geometry at load surface angles of 30° and 45°. Their respective dimensions (corner radius, load surface length, and dogbone head length) are, in µm, 12, 6, and 7 and 10, 7, and 7. Testing these two optimal geometries with a range of gauge lengths from 4 to 20 µm showed that smaller gauge lengths only slightly reduced the detrimental stress concentration outside the gauge section. However, smaller gauge lengths will notably improve the FIB surface polishing step as tapering is reduced with smaller dogbone lengths.

Chemistry↗
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 NTRS1987

An interactive approach to surface-fitting complex geometries for flowfield applications

Numerical flowfield methods require a geometry subprogram which can calculate body coordinates, slopes, and radii of curvature for typical aircraft and spacecraft configurations. The objective of this paper is to develop a new surface-fitting technique which addresses two major problems with existing geometry packages: computer storage requirements and the time required of the user for the initial set-up of the geometry model. In the present method, coordinates of cross sections are fit in a least-squares sense using segments of general conic sections. After fitting each cross section, the next step is to blend the cross-sectional curve-fits in the longitudinal direction using general conics to fit specific meridional half-planes. For the initial setup of the geometry model, an interactive, completely menu-driven computer code has been developed to allow the user to make modifications to the initial fit for a given cross section or meridional cut. Graphic displays are provided to assist the user in the visualization of the effect of each modification. The completed model may be viewed from any angle using the code's three-dimensional graphics package. Geometry results for the modeling of the Space Shuttle and a proposed Aeroassist Flight Experiment (AFE) geometry are presented, in addition to calculated heat-transfer rates based on these models.

Dejarnette, Fred R.↗
NASA NTRS1994

Effect of magnetic field geometry on the wave signature of the pickup of interstellar neutrals

By using the technique of Johnstone et al. (1991), the asymptotic wave spectrum induced by the pickup of interstellar ions in the heliosphere is derived. This approach is independent of quasi-linear theory. The asymptotic wave spectrum is calculated from the standard resonance condition by assuming that the asymptotic ion distribution is bispherical and by using conservation of energy. The calculation places no restriction on either the ratio of Alfven speed to solar wind flow speed or the particle pitch angle. Spectra for various geometries (relative orientations of the magnetic field and solar wind velocity) are calculated. Absolute upper limits to the expected wave enhancements are calculated. These upper limits are compared to the background fluctuation spectrum extrapolated from 0.87 AU, assuming a spectral index of -5/3 and radial dependences of -2 and -3. The heliocentric radial distances at which the peaks in the various geometry-dependent wave spectra are expected to be observable above the background are identified. Peaks due to pickup hydrogen at the proton gyrofrequency are found to be always stronger relative to the background in parallel than in perpendicular geometries. The parallel-geometry excitations consist only of sunward propagating waves. In perpendicular geometries a peak also occurs, this time near 0.1 of the proton gyrofrequency (corresponding to the peak calculated by Lee and Ip (1987)). However, the steep spectral dependence of the ambient wave field makes it unlikely that this peak will be observed inside 20 AU. A similar result holds for the case of pickup-helium induced excitation at the helium gyrofrequency. Inside 10 AU, peaks at these lower frequencies tend to be obscured by the steep frequency dependence (proportional to -5/3) of the ambient spectrum and then are only observable in parallel geometries.

Williams, L. L.↗
NASA NTRS1995

Computations of Viscous Flows in Complex Geometries Using Multiblock Grid Systems

Generating high quality, structured, continuous, body-fitted grid systems (multiblock grid systems) for complicated geometries has long been a most labor-intensive and frustrating part of simulating flows in complicated geometries. Recently, new methodologies and software have emerged that greatly reduce the human effort required to generate high quality multiblock grid systems for complicated geometries. These methods and software require minimal input form the user-typically, only information about the topology of the block structure and number of grid points. This paper demonstrates the use of the new breed of multiblock grid systems in simulations of internal flows in complicated geometries. The geometry used in this study is a duct with a sudden expansion, a partition, and an array of cylindrical pins. This geometry has many of the features typical of internal coolant passages in turbine blades. The grid system used in this study was generated using a commercially available grid generator. The simulations were done using a recently developed flow solver, TRAF3D.MB, that was specially designed to use multiblock grid systems.

Steinthorsson, Erlendur↗
NASA NTRS2019

Geometry Modeling for Unstructured Mesh Adaptation

The quantification and control of discretization error is critical to obtaining reliable simulation results. Adaptive mesh techniques have the potential to automate discretization error control, but have made limited impact on production analysis workflow. Recent progress has matured a number of independent implementations of flow solvers, error estimation methods, and anisotropic mesh adaptation mechanics. However, the poor integration of initial mesh generation and adaptive mesh mechanics to typical sources of geometry has hindered adoption of adaptive mesh techniques, where these geometries are often created in Mechanical Computer- Aided Design (MCAD) systems. The difficulty of this coupling is compounded by two factors: the inherent complexity of the model (e.g., large range of scales, bodies in proximity, details not required for analysis) and unintended geometry construction artifacts (e.g., translation, uneven parameterization, degeneracy, self-intersection, sliver faces, gaps, large tolerances be- tween topological elements, local high curvature to enforce continuity). Manual preparation of geometry is commonly employed to enable fixed-grid and adaptive-grid workflows by reducing the severity and negative impacts of these construction artifacts, but manual process interaction inhibits workflow automation. Techniques to permit the use of complex geometry models and reduce the impact of geometry construction artifacts on unstructured grid workflows are models from the AIAA Sonic Boom and High Lift Prediction are shown to demonstrate the utility of the current approach.

Park, Michael A.↗
DOE OSTI2024

Very high cycle fatigue characteristics of laser beam powder bed fused AlSi10Mg: A systematic evaluation of part geometry

This study explores the influence of geometry and part size on defect distribution, melt pool size, and mechanical characteristics in laser beam powder bed fused (LB-PBF) AlSi10Mg. Five distinct geometries—hourglass, small rod, small block, large block, and large rod—were fabricated under identical process parameters. Fully reversed ultrasonic fatigue testing, operating at a frequency of 20 kHz, was conducted to assess the very high cycle fatigue properties. The findings indicated that part geometry had a major impact on the fatigue properties of the material in the very high cycle fatigue regime. Specimens machined from large rods and large blocks had the lowest porosity and highest fatigue resistance. Microstructural analysis indicated that hourglass, small rod, and small block specimens had shallower melt pools and overlap depths compared to other geometries. This observation suggests a higher cooling rate in specimens with smaller cross-sectional areas, leading to the increased presence of entrapped gas pores and a lack of fusion defects. Understanding the relationship between part geometry and fatigue properties in LB-PBF components offers insights for optimizing design and manufacturing processes in additive manufacturing applications.

AlSi10Mg↗
NASA NTRS2024

A Large Dataset of Fluvial Hydraulic and Geometry Attributes Derived From USGS Field Measurement Records

Accurate representation of river channel geometry is important for hydrologic and hydraulic modeling of fluvial systems. Often, channel geometry is estimated using simple rating curves that can be applied across various spatial scales. However, such methods are limited to power law relations that do not employ many potentially relevant catchment and river attributes. This paper introduce a new dataset, IFMHA (Inventory of Field Measurement of Hydraulic Attributes), to enable research studies on channel geometry and streamflow characteristics. IFMHA is derived from the National Water Information System (NWIS) site inventory for surface water field measurements and stream attributes from the National Hydrography Dataset (NHD). IFMHA includes 2,802,532 records from 10,050 sites (NWIS streamgaging stations). The dataset utility is demonstrated here by presenting a series of conceptual models for estimating channel geometry parameters (i.e., channel mean depth, channel maximum depth, wetted perimeter, and roughness) based on the available field attributes within IFMHA. Such a dataset and attributed channel geometry parameters can enhance the performance of operational flood forecasting frameworks (e.g. National Water Model) by providing more accurate initial conditions used in hydrologic and hydraulic routing models.

Hydrology↗
DOE OSTI2025

Geometry and size dependent microstructure and crack formation in Rene 41 superalloy fabricated by laser powder bed fusion

This study provides a systematic investigation into the size and geometry-dependent microstructural evolution and cracking susceptibility of LPBF-fabricated Rene 41. By coupling experimental microstructural analysis with thermal modeling, this research uniquely identifies the relationship between geometry-specific thermal histories, carbide coarsening, and liquation cracking. Four different geometries with varying thickness were fabricated with the identical process parameters. It was found that the grain size and morphology are not affected by the part size. However, the thinner parts exhibited coarser sub-grain structures compared to the thicker ones. The crack formation was observed for the parts with cross-sections smaller than 1 mm, whereas thicker parts had high density without any defects. Further, the cracks were observed in the interdendritic regions, suggesting that liquation cracking was the active micro-crack formation mechanism. The detailed microstructural analysis combined with a thermal finite element analysis proved that the heat extraction efficiency was lower for thinner parts causing a lower cooling rate and coarser carbides, making them more susceptible to constitutional liquation. Microhardness measurements were conducted for each geometry and correlated with the observed microstructural variations. The findings highlight the critical need for geometry-specific optimization of LPBF process parameters to mitigate cracking and achieve microstructural uniformity, offering valuable insights into the fabrication of complex, high-performance aerospace components.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Validated ligand geometries for macromolecular refinement restraints and molecular-mechanics force fields

In macromolecular structure refinement, the low observation-to-parameter ratio and the lack of high-resolution data are countered by using a priori information in the form of restraints. Having accurate geometries of the chemical entities in the sample is paramount for generating accurate chemical restraints and, therefore, accurate macromolecular structures. In particular, it is desirable to have accurate restraints for known and novel ligand entities. Quantum mechanics (QM) can minimize the energy of a ligand by adjusting its geometry, and these geometries can be used to generate restraints for macromolecular refinement. This article describes a library of approximately 37 000 small molecules extracted from the Chemical Component Dictionary in the Protein Data Bank and minimized by density-functional QM. The library includes restraint files for use in crystallography or cryo-EM refinement, along with files suitable for molecular-dynamics simulation. Because the geometries are validated using the Cambridge Structural Database, the restraints library provides users with both functional restraints and minimized geometries. This work also provides procedures for generating new and accurate restraints.

Amber↗
NASA NTRS1980

Comparison of calculated and measured model rotor loading and wake geometry

The calculated blade bound circulation and wake geometry are compared with measured results for a model helicopter rotor in hover and forward flight. Hover results are presented for rectangular tip and ogee tip planform blades. The correlation is quite good when the measured wake geometry characteristics are used in the analysis. Available prescribed wake geometry models are found to give fair predictions of the loading, but they do not produce a reasonable prediction of the induced power. Forward flight results are presented for twisted and untwisted blades. Fair correlation between measurements and calculations is found for the bound circulation distribution on the advancing side. The tip vortex geometry in the vicinity of the advancing blade in forward flight was predicted well by the free wake calculation used, although the wake geometry did not have a significant influence on the calculated loading and performance for the cases considered.

Johnson, W.↗
NASA NTRS1983

A basis for the analysis of surface geometry of spiral bevel gears

Geometrical procedures helpful in the fundamental studies of the surface geometry of spiral bevel gears are summarized. These procedures are based upon: (1) fundamental gear geometry and kinematics as exposited by Buckingham, et al; (2) formulas developed from differential geometry; and (3) geometrical concepts developed in recent papers and reports on spiral bevel gear surface geometry. Procedures which characterize the geometry so that the surface parametric equations, the principal radii of curvature, and the meshing kinematics are systematically determined are emphasized. Initially, the focus in on theoretical, logarithmic spiral bevel gears as defined by Buckingham. The gears, however, are difficult to fabricate and are sometimes considered to be too straight. Circular-cut spiral bevel gears are an alternative to this. Surface characteristics of crown circular cut gears are analyzed.

Huston, R. L.↗
NASA NTRS1992

Geometry acquisition and grid generation: Recent experiences with complex aircraft configurations

Important issues involved in working with complex geometries are discussed. Approaches taken to address complex geometry issues in the McDonnell Aircraft Computational Grid System and related geometry processing tools are discussed. The efficiency of acquiring a suitable geometry definition, the need to manipulate the geometry, and the time and skill level required to generate the grid while preserving geometric fidelity are discussed.

Gatzke, Timothy D.↗
NASA NTRS1992

A test of present-day plate geometries for northeast Asia and Japan

Alternative geometries for the present-day configuration of plate boundaries in northeast Asia and Japan are tested using NUVEL-1 and 256 horizontal earthquake slip vectors from the Japan and northern Kuril trenches. Statistical analysis of the slip vectors is used to determine whether the North American, Eurasian, or Okhotsk plate overlies the trench. Along the northern Kuril trench, slip vectors are well-fit by the NUVEL-1 Pacific-North America Euler pole, but are poorly fit by the Pacific-Eurasia Euler pole. Results for the Japan trench are less conclusive, but suggest that much of Honshu and Hokkaido are also part of the North American plate. The simplest geometry consistent with the trench slip vectors is a geometry in which the North American plate extends south to 41 deg N, and possibly includes northern Honshu and southern Hokkaido. Although these results imply that the diffuse seismicity that connects the Lena River delta to Sakhalin Island and the eastern Sea of Japan records motion between Eurasia and North America, onshore geologic and seismic data define an additional belt of seismicity in Siberia that cannot be explained with this geometry. Assuming that these two seismic belts constitute evidence for an Okhotsk block, two published kinematic models for motion of the Okhotsk block are tested. The first model, which predicts motion of up to 15 mm/yr relative to North America, is rejected because Kuril and Japan trench slip vectors are fit more poorly than for the simpler geometry described above. The second model gives a good fit to the trench slip vectors, but only if Okhotsk-North America motion is slower than 5 mm/yr.

Demets, Charles↗
NASA NTRS1995

Cooperative solutions coupling a geometry engine and adaptive solver codes

Follow-on work has progressed in using Aero Grid and Paneling System (AGPS), a geometry and visualization system, as a dynamic real time geometry monitor, manipulator, and interrogator for other codes. In particular, AGPS has been successfully coupled with adaptive flow solvers which iterate, refining the grid in areas of interest, and continuing on to a solution. With the coupling to the geometry engine, the new grids represent the actual geometry much more accurately since they are derived directly from the geometry and do not use refits to the first-cut grids. Additional work has been done with design runs where the geometric shape is modified to achieve a desired result. Various constraints are used to point the solution in a reasonable direction which also more closely satisfies the desired results. Concepts and techniques are presented, as well as examples of sample case studies. Issues such as distributed operation of the cooperative codes versus running all codes locally and pre-calculation for performance are discussed. Future directions are considered which will build on these techniques in light of changing computer environments.

Dickens, Thomas P.↗
NASA NTRS1999

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

Several paradigms for accessing CAD geometry during surface meshing for CFD are discussed. File translation, inconsistent geometry engines and non-native point construction are all identified as sources of non-robustness. 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. The native approach is demonstrated through an algorithm for the generation of closed manifold surface triangulations from CAD geometry. CAD parts and assemblies are used in their native format, and a part's native geometry engine is accessed through a modeler-independent application programming interface (API). In seeking a robust and fully automated procedure, the algorithm is based on a new physical space manifold triangulation technique specially developed to avoid robustness issues associated with poorly conditioned mappings. In addition, this approach avoids the usual ambiguities associated with floating-point predicate evaluation on constructed coordinate geometry in a mapped space. The technique is incremental, so that each new site improves the triangulation by some well defined quality measure. The algorithm terminates after achieving a prespecified measure of mesh quality and produces a triangulation such that no angle is less than a given angle bound, a or greater than pi - 2alpha. This result also sets bounds on the maximum vertex degree, triangle aspect-ratio and maximum stretching rate for the triangulation. In addition to the output triangulations for a variety of CAD parts, the discussion presents related theoretical results which assert the existence of such an angle bound, and demonstrate that maximum bounds of between 25 deg and 30 deg may be achieved in practice.

Aftosmis, M. J.↗
NASA NTRS2004

The Role of Beam Geometry in Population Statistics and Pulse Profiles of Radio and Gamma-ray Pulsars

We present results of a pulsar population synthesis study that incorporates a number of recent developments and some significant improvements over our previous study. We have included the results of the Parkes multi-beam pulsar survey in our select group of nine radio surveys, doubling our sample of radio pulsars. More realistic geometries for the radio and gamma-ray beams are included in our Monte Carlo computer code that simulates the characteristics of the Galactic population of radio and gamma-ray pulsars. We adopted with some modifications the radio beam geometry of Arzoumanian, Chernoff & Cordes (2002). For the gamma-ray beam, we have assumed the slot gap geometry described in the work of Muslimov & Harding (2003). To account for the shape of the distribution of radio pulsars in the P(dot) - P diagram, we continue to find that decay of the magnetic field on a timescale of 2.8 Myr is needed. With all nine surveys, our model predicts that EGRET should have seen 7 radio-quiet (below the sensitivity of these radio surveys) and 19 radio-loud gamma-ray pulsars. AGILE (nominal sensitivity map) is expected to detect 13 radio-quiet and 37 radio-loud gamma-ray pulsars, while GLAST, with greater sensitivity is expected to detect 276 radio-quiet and 344 radio-loud gamma-ray pulsars. When the Parkes multi-beam pulsar survey is excluded, the ratio of radio-loud to radio-quiet gamma-ray pulsars decreases, especially for GLAST. The decrease for EGRET is 45%, implying that some fraction of EGRET unidentified sources are radio-loud gamma-ray pulsars. In the radio geometry adopted, short period pulsars are core dominated. Unlike the EGRET gamma-ray pulsars, our model predicts that when two gamma-ray peaks appear in the pulse profile, a dominant radio core peak appears in between the gamma-ray peaks. Our findings suggest that further improvements are required in describing both the radio and gamma-ray geometries.

Gonthier, Peter L.↗