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NASA NTRS2000

CLUST - EVAP Monte Carlo Simulation Applications for Determining Effective Energy Deposition in Silicon by High Energy Protons

The CLUST-EVAP is a Monte Carlo simulation of the interaction of high energy (25 - 400 MeV) protons with silicon nuclei. The initial nuclear cascade stage is modeled using the CLUST model developed by Indiana University over 30 years ago. The second stage, in which the excited nucleus evaporates particles in random directions, is modeled according to the evaporation algorithm provided by H. H. K. Tang of IBM. Using the CLUST-EVAP code to model fragment produ6tion and the Vavilov-Landau theory to model fluctuations in direct ionization in thin silicon layers, we have predicted energy deposition in silicon components for various geometrical configurations. We have compared actual measurements with model predictions for geometry's such as single, thin silicon particle detectors, telescopic particle detectors flown in space to measure the environment, and thin sensitive volumes of modern micro-electronic components. We have recently compared the model predictions with actual measurements made by the DOSTEL spectrometer flown in the Shuttle payload bay on STS-84. The model faithfully reproduces the features and aids in interpretation of flight results of this instrument. We have also applied the CLUST-EVAP model to determine energy deposition in the thin sensitive volumes of modern micro-electronic components. We have accessed the ability of high energy (200 MeV) protons to induce latch-up in certain devices that are known to latch up in heavy ion environments. However, some devices are not nearly as susceptible to proton induced latch-up as expected according to their measured heavy ion latch-up cross sections. The discrepancy is believed to be caused by the limited range of the proton-silicon interaction fragments. The CLUST-EV AP model was used to determine a distribution of these fragments and their range and this is compared to knowledge of the ranges required based on the known device structure. This information is especially useful in accessing the risk to on-orbit perfonnance in a heavy ion environment based on testing performed with only protons.

ONeill, Pat M.↗

NASA NTRS1986

Zero-Lift Wave Drag of Complex Aircraft Configurations

WAVDRAG calculates supersonic zero-lift wave drag of complex aircraft configurations. Numerical model of aircraft used throughout design process from concept to manufacturing. Incorporates extended geometric input capabilities to permit use of more accurate mathematical model. Engineer defines aircraft components as fusiform or nonfusiform in terms of traditional parallel contours or nonintersecting contours in any direction. Laterally asymmetric configurations simulated. WAVDRAG calculates total drag and wave-drag coefficient of specified aircraft configuration.

Craidon, C., B.↗

NASA NTRS2017

JIGSAW-GEO (1.0): Locally Orthogonal Staggered Unstructured Grid Generation for General Circulation Modelling on the Sphere

An algorithm for the generation of non-uniform, locally orthogonal staggered unstructured spheroidal grids is described. This technique is designed to generate very high-quality staggered VoronoiDelaunay meshes appropriate for general circulation modelling on the sphere, including applications to atmospheric simulation, ocean-modelling and numerical weather prediction. Using a recently developed Frontal-Delaunay refinement technique, a method for the construction of high-quality unstructured spheroidal Delaunay triangulations is introduced. A locally orthogonal polygonal grid, derived from the associated Voronoi diagram, is computed as the staggered dual. It is shown that use of the Frontal-Delaunay refinement technique allows for the generation of very high-quality unstructured triangulations, satisfying a priori bounds on element size and shape. Grid quality is further improved through the application of hill-climbing-type optimisation techniques. Overall, the algorithm is shown to produce grids with very high element quality and smooth grading characteristics, while imposing relatively low computational expense. A selection of uniform and non-uniform spheroidal grids appropriate for high-resolution, multi-scale general circulation modelling are presented. These grids are shown to satisfy the geometric constraints associated with contemporary unstructured C-grid-type finite-volume models, including the Model for Prediction Across Scales (MPAS-O). The use of user-defined mesh-spacing functions to generate smoothly graded, non-uniform grids for multi-resolution-type studies is discussed in detail.

geophysical fluid dynamics↗

NASA NTRS1999

System and Method for Finite Element Simulation of Helicopter Turbulence

The present invention provides a turbulence model that has been developed for blade-element helicopter simulation. This model uses an innovative temporal and geometrical distribution algorithm that preserves the statistical characteristics of the turbulence spectra over the rotor disc, while providing velocity components in real time to each of five blade-element stations along each of four blades. for a total of twenty blade-element stations. The simulator system includes a software implementation of flight dynamics that adheres to the guidelines for turbulence set forth in military specifications. One of the features of the present simulator system is that it applies simulated turbulence to the rotor blades of the helicopter, rather than to its center of gravity. The simulator system accurately models the rotor penetration into a gust field. It includes time correlation between the front and rear of the main rotor, as well as between the side forces felt at the center of gravity and at the tail rotor. It also includes features for added realism, such as patchy turbulence and vertical gusts in to which the rotor disc penetrates. These features are realized by a unique real time implementation of the turbulence filters. The new simulator system uses two arrays one on either side of the main rotor to record the turbulence field and to produce time-correlation from the front to the rear of the rotor disc. The use of Gaussian Interpolation between the two arrays maintains the statistical properties of the turbulence across the rotor disc. The present simulator system and method may be used in future and existing real-time helicopter simulations with minimal increase in computational workload.

McFarland, R. E.↗

DOE OSTI2026

Classical combinatorial optimization scaling for random Ising models on 2D heavy-hex graphs

Motivated by near term quantum computing hardware limitations, combinatorial optimization problems that can be addressed by current quantum algorithms and noisy hardware with little or no overhead are used to probe capabilities of quantum algorithms such as the quantum approximate optimization algorithm. In this study, a specific class of near term quantum computing hardware defined combinatorial optimization problems, Ising models on heavy-hex graphs both with and without geometrically local cubic terms, are examined for their classical computational hardness via empirical computation time scaling quantification. Specifically the time-to-solution (TTS) metric using the classical heuristic simulated annealing is measured for finding optimal variable assignments (ground states), as well as the time required for the optimization software Gurobi to find an optimal variable assignment. Because of the sparsity of these Ising models, the classical algorithms are able to find optimal solutions efficiently even for large instances (i.e. 100 000 spin variables). The Ising models both with and without geometrically local cubic terms exhibit average-case linear-time or weakly quadratic scaling when solved exactly using Gurobi, and the Ising models with no cubic terms show evidence of exponential-time TTS scaling when sampled using simulated annealing. These findings point to the necessity of developing and testing more complex, namely more densely connected, optimization problems in order for quantum computing to ever have a practical advantage over classical computing. Our results are another illustration that different classical algorithms can indeed have exponentially different running times, thus making the identification of the best practical classical technique important in any quantum computing vs. classical computing comparison.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

Aeroacoustic Computations of a Transonic Truss-Braced Wing Aircraft: Part 1 – Aero-dynamic and Airframe Noise Simulations

Computational results are presented for an 8%-scale, full-span, transonic truss-braced wing (TTBW) model simulated as installed in the NASA Langley Research Center 14- by 22-Foot Subsonic Tunnel and in free-air conditions. The simulations were conducted with the lat-tice Boltzmann solver PowerFLOW® to capture the time-accurate characteristics of the flow. The aerodynamic behavior of the aircraft was investigated in the landing configuration, with high-lift devices and landing gear deployed, as well as in the clean (cruise) configuration, with these components stowed. Analyses were performed on local flow quantities, global forces, and time-averaged surface pressures. Aerodynamic quantities were shown to be sensitive to mesh resolution levels, driven by small geometric features inherent to the TTBW model. Flow features of the TTBW model were examined, with the wing/strut configuration of this model presenting unique behaviors generally not found in conventional transport aircraft. Near-field, time-dependent flow quantities obtained from the scale-resolving simulations were used in conjunction with a Ffowcs-Williams and Hawkings integral approach to predict the far-field airframe noise signature of this advanced concept. The effects of permeable data sur-face end caps on the far-field noise spectrum in the flyover direction were determined to be negligible.

Transonic Truss-Braced Wing↗

NASA NTRS1994

STOVL CFD model test case

The transitional flight characteristics of a geometrically simplified Short Take-Off Vertical Landing (STOVL) aircraft configuration have been measured in the NASA Ames 7- by 10-Foot Wind Tunnel. The experiment is the first in a sequence of tests designed to provide detailed data for evaluating the capability of computational fluid dynamics methods to predict the important flow parameters for powered lift. The model consists of a 60 deg cropped delta wing platform, blended fuselage and two circular in-line jets that exit perpendicularly from the flat lower surface. The measured flows have a maximum freestream Mach number of 0.2. Model angle of attack is varied between -10 and +20 deg. The flow is ambient temperature in both jet exits and the nozzle pressure ratios are varied between 1 and 3. The data presented includes forces and moments, pressures measured at 281 surface pressure ports and the pressures of the jets. Measurements of the flow are also made in the tunnel test section upstream and downstream of the model and at the jet exits to guide boundary condition selection for the planned computations. Flow visualization and total pressure measurements in the jet plumes provide a description of the three-dimensional jet efflux flowfield.

Roth, Karlin R.↗

NASA NTRS1927

Method of Correcting Wind Tunnel Data for Omitted Parts of Airplane Models

Wind tunnel models do not have complete similarity to the full scale airplane. Part of the dissimilarity is due to the difference between the stationary model in the artificial wind stream of the tunnel and the moving airplane in still air. There are a number of other reasons for departing from exact geometrical similitude. For reasons of accuracy and economy, all minor parts of the full scale airplane, such as struts, wires, fittings, control horns and other parts whose scale corrections are large are removed from wind tunnel models. By omitting the minor parts of the airplane in the wind tunnel model and adding to the forces and moments of the model those omitted parts measured full scale and properly reduced, the scale effects of such parts disappear from the model data. Scale effects due to major parts of the airplane, particularly the fuselage and wings, can be corrected by omitting the propeller and making the surface of the model as smooth as possible, two further departures from geometrical similitude between model and full scale that add considerably to the accuracy and economy of model tests.

Smith, R H↗

DOE OSTI2025

Numerical simulation of asteroid geometry variance on airburst threat

For an atmospheric airburst the primary source of concern when assessing uncertainty is the size and velocity. Determining these properties provides the basis for threat assessment, as the total energy of the asteroid may then be estimated, and the threat investigated thoroughly. Even with clarity as to how much energy an asteroid may deposit, a great deal of uncertainty still exists for the actual energy deposition process. One such source of uncertainty is the geometry of the incoming asteroid. The geometry of an asteroid will alter the stress distribution during entry, which adds uncertainty to when fracture will occur. Here, in this study, we use Smoothed Particle Hydrodynamics to model the atmospheric airburst of Tunguska-scale asteroids with varying geometric profiles, including a sphere, ellipsoid, binary and superellipsoid. Each asteroid is modeled as a homogenous structure with strength. We assess uncertainty through a series of planar 2D simulation cases for each geometry, comparing the source of stochasticity across geometries. A single 3D airburst simulation for each geometry is also analyzed. Additionally, the 3D cases are compared to the highly uncertain Tunguska event, predicting variance in burst height across geometries, but all bounded by theoretical burst heights proposed for Tunguska.

Airburst↗

NASA NTRSDate not supplied

Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning

The ability to perform ab initio molecular dynamics simulations using potential energy surfaces provided by quantum computers would open the door to virtually exact dynamics for a variety of chemical and biochemical systems, with impacts on catalysis and biophysics. Nonetheless, performing molecular dynamics on surfaces produced by quantum hardware has been hampered by the noisy energies typically produced by quantum computers and challenges associated with computing gradients and scaling to large systems interest. A recent set of advances in machine learning, known as transfer learning, provides a new path forward for molecular dynamics simulations on quantum hardware. Transfer learning offers a workaround, where one first trains models on larger, less accurate classical datasets and then refines them on smaller, more accurate quantum datasets. We explore this approach by training machine learning models to predict a molecule's potential energy based on its geometric structure using Behler-Parrinello neural networks. When successfully trained, the model enables energy gradient predictions necessary for dynamic simulations. To reduce the quantum resources needed, the model is initially trained with data derived from classical density functional theory and subsequently refined with a smaller dataset obtained from a variational quantum eigensolver optimization of the unitary coupled cluster ansatz. We show that this approach significantly reduces the size of the needed quantum training dataset while capturing the high accuracies needed within quantum chemistry simulations. The success of this two-step training method opens more opportunities to apply machine learning models on quantum data, a significant stride towards efficient quantum-classical hybrid computational models.

quantum computing↗

NASA NTRS1972

Experimental and Analytical Investigation of the Coolant Flow Characteristics in Cooled Turbine Airfoils

The flow characteristics of turbine airfoil cooling system components were experimentally investigated. Flow models representative of leading edge impingement, impingement with crossflow (midchord cooling), pin fins, feeder supply tube, and a composite model of a complete airfoil flow system were tested. Test conditions were set by varying pressure level to cover the Mach number and Reynolds number range of interest in advanced turbine applications. Selected geometrical variations were studied on each component model to determine these effects. Results of these tests were correlated and compared with data available in the literature. Orifice flow was correlated in terms of discharge coefficients. For the leading edge model this was found to be a weak function of hole Mach number and orifice-to-impinged wall spacing. In the impingement with crossflow tests, the discharge coefficient was found to be constant and thus independent of orifice Mach number, Reynolds number, crossflow rate, and impingement geometry. Crossflow channel pressure drop showed reasonable agreement with a simple one-dimensional momentum balance. Feeder tube orifice discharge coefficients correlated as a function of orifice Mach number and the ratio of the orifice-to-approach velocity heads. Pin fin data was correlated in terms of equivalent friction factor, which was found to be a function of Reynolds number and pin spacing but independent of pin height in the range tested.

Damerow, W. P.↗

NASA NTRS1984

Viscous flow effects on hydrogen leaks from cracks in the Orbiter Challenger main engines

An analytical model was developed to provide additional insight and understanding of the factors that influence the simulation and prediction of leak rates from small cracks in pressurized containers. Specifically, the analysis was aimed at developing an analytical model capable of predicting the hydrogen leak rates from a crack in the combustion chamber coolant discharge manifold on main engine 1 of the Orbiter Challenger that was discovered during flight readiness firings 1 and 2. This model was based on viscous pipe flow analyses and calibrated for the crack geometry by using helium leak-rate data obtained from both low- and high-pressure tests used to simulate the flight readiness firing test conditions. In addition, this model includes the effects of crack width changes caused by different working stresses associated with the different test conditions. Because of the combination of the small crack dimensions and the wide range of pressures used for the test conditions, either laminar or turbulent viscous effects dominated the flows at all test conditions. This model was used to illustrate the sensitivity of the predicted leak rates to considerations of test conditions, viscous flow effects, and geometric features of the crack. In addition, the model was certified by comparing the hydrogen leak-rate prediction for the flight readiness firing test condition to the actual measured leak rate. The prediction was within 9 percent of the measured value.

Goodrich, W. D.↗

NASA NTRS2016

Titan-Like Exoplanets: Variations in Geometric Albedo and Effective Transit Height with Haze Production Rate

Extensive studies characterizing Titan present an opportunity to study the atmospheric properties of Titan-like exoplanets. Using an existing model of Titan's atmospheric haze, we computed geometric albedo spectra and effective transit height spectra for six values of the haze production rate (zero haze to twice present) over a wide range of wavelengths (0.2-2 microns). In the geometric albedo spectra, the slope in the UV-visible changes from blue to red when varying the haze production rate values from zero to twice the current Titan value. This spectral feature is the most effective way to characterize the haze production rates. Methane absorption bands in the visible-NIR compete with the absorbing haze, being more prominent for smaller haze production rates. The effective transit heights probe a region of the atmosphere where the haze and gas are optically thin and that is thus not effectively probed by the geometric albedo. The effective transit height decreases smoothly with increasing wavelength, from 376 km to 123 km at 0.2 and 2 microns, respectively. When decreasing the haze production rate, the methane absorption bands become more prominent, and the effective transit height decreases with a steeper slope with increasing wavelength. The slope of the geometric albedo in the UV-visible increases smoothly with increasing haze production rate, while the slope of the effective transit height spectra is not sensitive to the haze production rate other than showing a sharp rise when the haze production rate increases from zero. We conclude that geometric albedo spectra provide the most sensitive indicator of the haze production rate and the background Rayleigh gas. Our results suggest that important and complementary information can be obtained from the geometric albedo and motivates improvements in the technology for direct imaging of nearby exoplanets.

Geometric albedo↗

NASA NTRS2001

A Realistic Accretion Disk Model for AGNs

We present a new relativistic accretion disk model of AGNs, based on alpha modified accretion disk theory, where alpha is a parameter that characterizes the efficiency of the mechanism of angular momentum transport. In this model we have considered a geometrically-thin, high-luminosity (alpha-accretion disk, around a supermassive black hole. The geometrically thin limit assumes a local energy balance within the accretion disk, which has been used to derive the plasma temperature of the disk. The energy balance equation has three solutions: low, medium and high temperature, depending on the heating rate of the accretion disk. We predict that the inner part of a high luminosity accretion disk is in the high- temperature (10(exp 7) to 10(exp 9) K) state and for this we obtain the high temperature solution of the energy balance equation using a Comptonization process. We find the local spectrum of each ring of the disk (we have divided the high temperature region of the disk into 50 rings) to be a diluted Wien spectrum. However, the emergent integral spectrum of the high temperature region is a power-law with a high-energy cutoff that depends on the basic parameters of AGNs (the accretion rate, the incidence angle, and the mass and the angular momentum of the central black hole). We have fitted the observed spectra of 28 AGNs using the present model and have derived the values of the basic parameters of these AGNs. Results of these spectral fittings have been discussed in the framework of the unification model of AGNs.

Suleimanov, V.↗

NASA NTRS2008

Effect of the Inhomogeneity of Ice Crystals on Retrieving Ice Cloud Optical Thickness and Effective Particle Size

Spherical or spheroidal air bubbles are generally trapped in the formation of rapidly growing ice crystals. In this study the single-scattering properties of inhomogeneous ice crystals containing air bubbles are investigated. Specifically, a computational model based on an improved geometric-optics method (IGOM) has been developed to simulate the scattering of light by randomly oriented hexagonal ice crystals containing spherical or spheroidal air bubbles. A combination of the ray-tracing technique and the Monte Carlo method is used. The effect of the air bubbles within ice crystals is to smooth the phase functions, diminish the 22deg and 46deg halo peaks, and substantially reduce the backscatter relative to bubble-free particles. These features vary with the number, sizes, locations and shapes of the air bubbles within ice crystals. Moreover, the asymmetry factors of inhomogeneous ice crystals decrease as the volume of air bubbles increases. Cloud reflectance lookup tables were generated at wavelengths 0.65 m and 2.13 m with different air-bubble conditions to examine the impact of the bubbles on retrieving ice cloud optical thickness and effective particle size. The reflectances simulated for inhomogeneous ice crystals are slightly larger than those computed for homogenous ice crystals at a wavelength of 0.65 microns. Thus, the retrieved cloud optical thicknesses are reduced by employing inhomogeneous ice cloud models. At a wavelength of 2.13 microns, including air bubbles in ice cloud models may also increase the reflectance. This effect implies that the retrieved effective particle sizes for inhomogeneous ice crystals are larger than those retrieved for homogeneous ice crystals, particularly, in the case of large air bubbles.

Xie, Yu↗

DOE OSTI2022

Control over emergence and alignment of transient blisters in thermo-responsive gels using hierarchically patterned substrates

Surfaces with tunable microscale textures are vital in a large variety of technological applications, including heat transfer, antifouling and adhesion. To facilitate such broad-scale use, there is a need to create surfaces that undergo reconfigurable changes in topology and thus, enable switchable functionality. To date, there is a relative dearth of methods for engineering surfaces that can be actuated to change topography over a range of length scales, and hence, form tunable hierarchically structured layers. Combining modeling and experiments, we design a geometrically patterned, thermo-responsive poly (N-isopropylacrylamide) gel film that undergoes controllable hierarchical changes in topology with changes in temperature. At the bottom, the film is covalently bound to a solid, curved substrate; at the top, the film encompasses longitudinal rectangular ridges that are oriented perpendicular to the underlying cylindrical curves. At temperatures below lower critical solution temperature (LCST), the swollen gel exhibits 3D variations in polymer density and thickness defined by the gel's top and bottom topography. As the temperature rises above LCST, the interplay between the upper ridges and lower curves in the gel drives non-uniform, directional solvent transport, the nucleation and propagation of a phase-separated higher-density skin layer, and the resulting pressure buildup within the film. These different, interacting kinetic processes lead to an instability, which produces transient microscopic blisters in the film. Through simulations, we show how tuning the width of the ridges modifies the propagation of a skin layer and creates localized pressure build-up points, which enables control over the emergence, distribution, and alignment of the microscopic blisters. Futhermore, we provide a simple argument to predict the size of such microscopic features. Experiments confirm our predictions and further highlight how our computational model enables the rational design of topographical transitions in these tunable films. The development of actuatable, hierarchically structured films provides new routes for achieving switchable functionality in actuators, drug release systems and adhesives.

42 ENGINEERING↗

DOE OSTI2025

Establishing a process-structure-property-performance framework for SLS additive manufacturing through integrated multiscale modeling

This study presents a comprehensive suite of high-fidelity computational models that integrate multiscale and multiphysics simulations to capture the full Selective Laser Sintering (SLS) additive manufacturing process—from initial melting and solidification to mechanical response under external loads. Process simulations are linked with mechanical analysis through Representative Volume Elements (RVEs), establishing a process-structure–property-performance framework. The interaction between laser light and polyamide 12 (PA12) powder is modeled, accounting for laser characteristics and the optical, thermal, and geometrical properties of the powder. The heat source is incorporated into a heat transfer model, coupled with crystallization kinetics and densification models to predict material density and crystallinity. The porosity distribution from the densification model and crystallinity interpolated from experimental data are used to construct the RVEs. A multi-mechanism constitutive model is then calibrated using mechanical tests to predict the stress–strain response. Simulation results show good agreement with experimental data in terms of porosity, crystallinity, and mechanical performance when sufficient laser power (62 W or higher) is used. This research supports the inverse design of 3D-printed structures by introducing a high-fidelity framework that combines multiscale and multiphysics modeling with experimental calibration for predictive and performance-driven additive manufacturing.

SLS↗

DOE OSTI2023

Effects of Size and Shape on the Tolerances for Misalignment and Probabilities for Successful Oriented Attachment of Nanoparticles

Oriented attachment (OA) of nanoparticles is an important pathway of crystal growth, but tools for quantitatively modeling OA are lacking. Here we present several simple models that relate the probability of achieving OA to basic geometric parameters such as particle size, shape, and lattice periodicity. A Moiré-domain model is applied to understand twist-misorientations between parallel surfaces, and it predicts that the range of twist angles yielding perfect OA is inversely related to the width of the contact area. This is confirmed and further developed using a surface functional model, which predicts how crystallographic registration forces drive the emergence of complex orientational energy landscapes. The energy landscapes are predicted to possess local minima that can trap particles in imperfect alignments, and these local minima become deeper and more numerous as the contact area increases, making OA more challenging for large particles. Further, a second set of models is presented to understand the sequence of events by which two crystallographic faces become co-planer after collision. We use a ‘central force approximation’ to quantitatively predict the odds of attaining coalignment between various faces when particles collide with random misalignments, and we show that in the absence of biasing forces, the probability of attaining alignment on a given face is roughly proportional to its solid angle as viewed from the center of the particle. The model predicts that OA is most favorable between well-faceted particles and becomes exceedingly unlikely for large spherical particles that express many microfacets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗