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At least 1,639 records · Page 91

Stackable Electronic Computer Modules And Interconnections

Design concept for multiprocessor computer system calls for digital electronic processing circuits of various functionalities contained within identically shaped and sized regular polygonal modules interconnected and stacked by use of rings around edges. Rings contain wide-band bus circuits configured to provide connections to adjacent modules in same layer of stack and/or to modules in different layers. Provides flexibility of configuration to implement any of large variety of designs.

Bolotin, Gary S.↗

Vortical Flow Prediction Using an Adaptive Unstructured Grid Method

A computational fluid dynamics (CFD) method has been employed to compute vortical flows around slender wing/body configurations. The emphasis of the paper is on the effectiveness of an adaptive grid procedure in "capturing" concentrated vortices generated at sharp edges or flow separation lines of lifting surfaces flying at high angles of attack. The method is based on a tetrahedral unstructured grid technology developed at the NASA Langley Research Center. Two steady-state, subsonic, inviscid and Navier-Stokes flow test cases are presented to demonstrate the applicability of the method for solving practical vortical flow problems. The first test case concerns vortex flow over a simple 65' delta wing with different values of leading-edge bluntness, and the second case is that of a more complex fighter configuration. The superiority of the adapted solutions in capturing the vortex flow structure over the conventional unadapted results is demonstrated by comparisons with the windtunnel experimental data. The study shows that numerical prediction of vortical flows is highly sensitive to the local grid resolution and that the implementation of grid adaptation is essential when applying CFD methods to such complicated flow problems.

Pirzadeh, Shahyar Z.↗

Vortical Flow Prediction Using an Adaptive Unstructured Grid Method

A computational fluid dynamics (CFD) method has been employed to compute vortical flows around slender wing/body configurations. The emphasis of the paper is on the effectiveness of an adaptive grid procedure in "capturing" concentrated vortices generated at sharp edges or flow separation lines of lifting surfaces flying at high angles of attack. The method is based on a tetrahedral unstructured grid technology developed at the NASA Langley Research Center. Two steady-state, subsonic, inviscid and Navier-Stokes flow test cases are presented to demonstrate the applicability of the method for solving practical vortical flow problems. The first test case concerns vortex flow over a simple 65deg delta wing with different values of leading-edge bluntness, and the second case is that of a more complex fighter configuration. The superiority of the adapted solutions in capturing the vortex flow structure over the conventional unadapted results is demonstrated by comparisons with the windtunnel experimental data. The study shows that numerical prediction of vortical flows is highly sensitive to the local grid resolution and that the implementation of grid adaptation is essential when applying CFD methods to such complicated flow problems.

Pirzadeh, Shahyar Z.↗

Investigation of Single-Stage Modified Turbine of Mark 25 Torpedo Power Plant

Efficiency investigations have been made on a single-stage modification of the turbine of a Mark 25 aerial torpedo to determine the performance of the unit with five different turbine nozzles. The output of the turbine blades was computed by analyzing the windage and mechanical-friction losses of the unit. The turbine was faund to be most efficient with a cast nozzle having sharp-edged inlets to the nine nozzle ports. An analysis af the effectiveness af the first and second stages of the standard Mark 25 torpedo turbine indicates that the first- stage turbine contributes nearly all the brake power produced at blade-jet speed ratios above 0.26.

Hoyt, Jack W.↗

A Program to Improve the Triangulated Surface Mesh Quality Along Aircraft Component Intersections

A computer program has been developed for improving the quality of unstructured triangulated surface meshes in the vicinity of component intersections. The method relies solely on point removal and edge swapping for improving the triangulations. It can be applied to any lifting surface component such as a wing, canard or horizontal tail component intersected with a fuselage, or it can be applied to a pylon that is intersected with a wing, fuselage or nacelle. The lifting surfaces or pylon are assumed to be aligned in the axial direction with closed trailing edges. The method currently maintains salient edges only at leading and trailing edges of the wing or pylon component. This method should work well for any shape of fuselage that is free of salient edges at the intersection. The method has been successfully demonstrated on a total of 125 different test cases that include both blunt and sharp wing leading edges. The code is targeted for use in the automated environment of numerical optimization where geometric perturbations to individual components can be critical to the aerodynamic performance of a vehicle. Histograms of triangle aspect ratios are reported to assess the quality of the triangles attached to the intersection curves before and after application of the program. Large improvements to the quality of the triangulations were obtained for the 125 test cases; the quality was sufficient for use with an automated tetrahedral mesh generation program that is used as part of an aerodynamic shape optimization method.

Cliff, Susan E.↗

Developing an Accurate CFD Based Gust Model for the Truss Braced Wing Aircraft

The increased flexibility of long endurance aircraft having high aspect ratio wings necessitates attention to gust response and perhaps the incorporation of gust load alleviation. The design of civil transport aircraft with a strut or truss-braced high aspect ratio wing furthermore requires gust response analysis in the transonic cruise range. This requirement motivates the use of high fidelity nonlinear computational fluid dynamics (CFD) for gust response analysis. This paper presents the development of a CFD based gust model for the truss braced wing aircraft. A sharp-edged gust provides the gust system identification. The result of the system identification is several thousand time steps of instantaneous pressure coefficients over the entire vehicle. This data is filtered and downsampled to provide the snapshot data set from which a reduced order model is developed. A stochastic singular value decomposition algorithm is used to obtain a proper orthogonal decomposition (POD). The POD model is combined with a convolution integral to predict the time varying pressure coefficient distribution due to a novel gust profile. Finally the unsteady surface pressure response of the truss braced wing vehicle to a one-minus-cosine gust, simulated using the reduced order model, is compared with the full CFD.

Bartels, Robert E.↗

Performance Optimization Methods for a Memory-Bound, Unstructured-Grid CFD Application on Massively Parallel GPU Platforms

Computational performance of the FUN3D unstructured-grid computational fluid dynamics (CFD) application on massively parallel GPU environments is memory-bound and highly dependent upon efficient reads from and atomic updates to the irregular cell-, edge-, and node-based data structures. In this talk, we present recent efforts into optimizing select performance-critical kernels on NVIDIA Tesla V100 and A100 GPUs and AMD CDNA MI100 GPUs. A novel use of L2 cache residency controls and asynchronous loads into on-chip shared memory are explored on the A100 GPU for the sparse iterative solver, which is dominated by mixed-precision, sparse matrix vector multiplication. Demonstrations show that these methods improve global memory bandwidth utilization by 13.5% on the A100 GPU. Several techniques are also presented that use registers and/or shared memory to facilitate array transposition and aggregation which combine to reduce the frequency and increase the cache efficiency of floating-point atomic updates to the irregular data structures. These methods are demonstrated to improve the kernel throughput by nearly 500% on select kernels on the AMD MI100 over atomic updates directly to global memory. Overall, both V100 and A100 GPUs outperformed the MI100 GPU on kernels dominated by double-precision atomic updates; however, the techniques demonstrated here reduced the performance gap and improved the MI100 performance.

GPU CPU unstructured CFD memory↗

Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al

Many elementary deformation processes in metals involve the motion of dislocations. The planes of glide and specific processes dislocations prefer depend heavily on their atomic core structures. Atomistic simulations are desirable for dislocation modeling but their application to even sub-micron scale problems is in general computationally costly. Accordingly, continuum-based approaches, such as the phase-field microelasticity, phase-field dislocation dynamics (PFDD), generalized Peierls–Nabarro (GPN) models, and the concurrent atomistic–continuum (CAC) method, have attracted increasing attention in the field of dislocation modeling because they well represent both short-range cores interactions and long-range stress fields of dislocations. To better understand their similarities and differences, it is useful to compare these methods in the context of benchmark simulations and predictions. In this paper, we apply the CAC method and different PFDD variants – one of them is equivalent to a GPN model – to simulate an extended (i.e., dissociated) dislocation in Al with initially pure edge or pure screw character in terms of the disregistry. CAC and discrete forms of PFDD are also employed to calculate the Peierls stress. By conducting comprehensive convergence studies, we quantify the dependence of these measures on time/grid resolution and simulation cell size. Several important but often overlooked differences between PFDD/GPN variants are clarified. In conclusion, our work sheds light on the advantages and limitations of each method, as well as the path towards enabling them to effectively model complex dislocation processes at larger length scales.

36 MATERIALS SCIENCE↗

Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups

Intersystem crossings between singlet and triplet states represent a crucial relaxation pathway in photochemical processes. Herein, we probe the intersystem crossing in hexafluoro-acetylacetone with ultrafast X-ray transient absorption spectroscopy at the carbon K-edge. In this study, we observe the excited state dynamics following excitation with 266 nm UV light to the 1 ππ* (S 2 ) state with element and site-specificity using a broadband soft X-ray pulse produced by high harmonic generation. These results are compared to X-ray spectra computed from orbital optimized density functional theory methods. It is found that the electron-withdrawing fluorine atoms decongest the X-ray absorption spectrum by enhancing separation between features originating from different carbon atoms. This facilitates the elucidation of structural and electronic dynamics at the chromophore. The evolution of the core-to-valence resonances at the carbon K-edge reveals an ultrafast population transfer between the 1 nπ* (S 1 ) and 3 ππ* (T 1 ) states on a 1.6 ± 0.4 ps time scale, which is similar to the 1.5 ps time scale earlier observed for acetylacetone [ J. Am. Chem. Soc. 2017, 139, 16576—16583, DOI: 10.1021/jacs.7b07532]. It therefore appears that terminal fluorination has little influence on the intersystem crossing rate of the acetylacetone chromophore. In addition, the significant role of hydrogen-bond opened and twisted rotational isomers is elucidated in the excited state dynamics by comparison of the experimental transient X-ray spectra with theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of leading and trailing edge flaps on the aerodynamics of airfoil/vortex interactions

A numerical procedure has been developed for predicting the two-dimensional parallel interaction between a free convecting vortex and a NACA 0012 airfoil having leading and trailing edge integral-type flaps. Special emphasis is placed on the unsteady flap motion effects which result in alleviating the interaction at subcritical and supercritical onset flows. The numerical procedure described here is based on the implicit finite-difference solutions to the unsteady two-dimensional full potential equation. Vortex-induced effects are computed using the Biot-Savart Law with allowance for a finite core radius. The vortex-induced velocities at the surface of the airfoil are incorporated into the potential flow model via the use of the velocity transpiration approach. Flap motion effects are also modeled using the transpiration approach. For subcritical interactions, our results indicate that trailing edge flaps can be used to alleviate the impulsive loads experienced by the airfoil. For supercritical interactions, our results demonstrate the necessity of using a leading edge flap, rather than a trailing edge flap, to alleviate the interaction. Results for various time-dependent flap motions and their effect on the predicted temporal sectional loads, differential pressures, and the free vortex trajectories are presented

Hassan, Ahmed A.↗

Numerical simulation of the flow about the F-18 HARV at high angle of attack

This report summarizes research done over the past two years as part of NASA Grant NCC 2-729. This research has been aimed at validating numerical methods for computing the flow about the complete F-18 HARV at alpha = 30 deg and alpha = 45 deg. At 30 deg angle of attack, the flow about the F-18 is dominated by the formation, and subsequent breakdown, of strong vortices over the wing leading-edge extensions (LEX). As the angle of attack is increased to alpha = 45 deg, the fuselage forebody of the F-18 contains significant laminar and transitional regions which are not present at alpha = 30 deg. Further, the flow over the LEX at alpha = 45 deg is dominated by an unsteady shedding in time, rather than strong coherent vortices. This complex physics, combined with the complex geometry of a full aircraft configuration, provides a challenge for current computational fluid dynamics (CFD) techniques. The following sections present the numerical method and grid generation scheme that was used, a review of prior research done to numerically model the F-18 HARV, and a discussion of the current research. The current research is broken into two main topics: the effect of engine-inlet mass-flow rate on the F-18 vortex breakdown position, and the results using a refined F-18 computational model to compute the flow at alpha = 30 deg and alpha = 45 deg.

Murman, Scott M.↗

Modelling of environmentally induced discharges in geosynchronous satellites

The NASCAP computer code is used to compute the charging and discharging characteristics of a typical communications satellite in geosynchronous orbit. For the case of a severe substorm, satellite surface differential charging in sunlight is found to be substantially less than that required to produce discharges in ground simulation studies. A discharge process is postulated involving discharges triggered at edges (or imperfection) followed by discharges to space. The characteristics of such discharges are parametrically varied to evaluate the possible effects on the satellite. It has been found that discharge characteristics inferred from satellite monitors could be caused by predicted space discharges, that single cell discharges to space can reduce surface potential over entire satellite, and that low-density electron trajectory computations indicate that discharge generated electrons may not return to the satellite by long trajectories. Current transients predicted do not agree with the available ground simulation results indicating that additional work must be done both analytically and experimentally to understand and fully explain these discrepancies.

Stevens, N. J.↗

Hydrodynamic Stability and Magnetic Reconnection in Disks and Stars

The purpose of this grant is to study parametric instability. The simplest example of parametric instability is a harmonic oscillator with a periodic modulation of the spring constant. If the modulation frequency is close to twice the natural frequency of the oscillator, the amplitude of oscillation tends to grow exponentially. The growth rate is proportional to the strength of the modulation, but it also depends upon the closeness to resonance of the two frequencies, and upon natural damping rate or "Q" of the oscillator. Parametric instabilities are very common in physics. A familiar example is a jogger's ponytail--normally a very strongly damped pendulum, it can be destabilized by the variation in effective gravity during the jogger's stride. Observation confirms that the period of the pendulum is half that of the jogger's vertical motion. In astrophysics, parametric instability may occur by external tidal forcing, or by interaction among eigenmodes. In the latter case, an energetic eigenmode may destabilize modes of half its frequency, provided some weak nonlinearity exists to couple them. Under a previous Astrophysical Theory grant (NAGW-2419), the PI discovered a parametric instability of tidally forced disks such as the accretion disks in cataclysmic variables and X ray binaries [2]. The destabilized modes are tightly-wound, incompressible, three-dimensional waves analogous to g-modes and r-modes in stars. Later work has confirmed our analysis [4]. It was hoped that these modes might provide a source of turbulence and angular momentum transport in accretion disks. However, a follow-up investigation of this instability by local numerical simulations, although confirming the analytically estimated growth rates, found negligible angular momentum flux [3]. Other work, partly supported by the ATP, now strongly indicates that the transport mechanism in such disks is magnetohydrodynamic turbulence [6]. Nevertheless, the parametric mechanism may truncate the outer edges of disks in close binaries [2], and it may be important in disks of very low ionization such as protostellar disks, or even cataclysmic-variable disks in quiescence where the MHD mechanism may be ineffective [5]. All analyses up to 1996 were done in a local approximation where the orbital frequency, shear rate, and tidal field were treated as constants. The locally computed growth rate turns out to depend strongly on radius, and it was unclear how to average these local rates to obtain the correct global rate. This is a critical issue for accretion disks in close binaries, because the local growth rate is comparable to the orbital frequency towards the outer edge of the disk but decreases rapidly inwards. Paper #1 examined this issue in a simplified global model where the destabilizing terms vary with position. We found that the global growth rate is essentially equal to the maximum local rate, provided that the latter is smoothed over a radial range equal to the distance that the destabilized wave propagates at its group speed in one growth time. Thus, in an accretion disk, waves would grow rapidly in the outer parts but would propagate both inwards and outwards at a maximum group speed of order the disk thickness divided by the orbital period.

Goodman, Jeremy↗

Numerical simulation of the flow about the F-18 HARV at high angle of attack

This research has been aimed at validating numerical methods for computing the flow about the complete F-18 HARV at alpha = 30 deg and alpha = 45 deg. At 30 deg angle of attack, the flow about the F-18 is dominated by the formation, and subsequent breakdown, of strong vortices over the wing leading-edge extensions (LEX). As the angle of attack is increased to alpha = 45 deg, the fuselage forebody of the F-18 contains significant laminar and transitional regions which are not present at alpha = 30 deg. Further, the flow over the LEX at alpha = 45 deg is dominated by an unsteady shedding in time, rather than strong coherent vortices. This complex physics, combined with the complex geometry of a full-aircraft configuration, provides a challenge for current computational fluid dynamics (CFD) techniques. The following sections present the numerical method and grid generation scheme that was used, a review of prior research done to numerically model the F-18 HARV, and a discussion of the current research. The current research is broken into three main topics; the effect of engine-inlet mass-flow rate on the F-18 vortex breakdown position, the results using a refined F-18 computational model to compute the flow at alpha = 30 deg and alpha = 45 deg, and research done using the simplified geometry of an ogive-cylinder configuration to investigate the physics of unsteady shear-layer shedding. The last section briefly summarizes the discussion.

Murman, Scott M.↗

Stochastic boundary condition effects on supersonic leading edge blowing

The present manuscript studies the robustness of leading edge blowing for active control of the upstream bow shock and overall aerothermal characteristics of a supersonic airfoil subject to variability in the injection conditions. The injection boundary conditions were considered stochastic and their randomness was propagated to the flow topology and aerothermal quantities of interest by means of non-intrusive Polynomial Chaos Expansions. The evaluations needed to build these expansions were carried out via steady two-dimensional Reynolds-Averaged Navier Stokes simulations. Two different injection port sizes were considered, with the smallest promoting a Coanda effect that gives rise to non-symmetric flow topologies. The uncertain boundary conditions lead to significant variations in the flow topology, particularly at the injection exit and the bow shock position, with variations of up to 75% of the nominal value. Here this study identifies the key operating conditions to ensure the optimal application of leading-edge injection for active control of supersonic airfoils.

97 MATHEMATICS AND COMPUTING↗

Dataset for "Large Language Models as molecular design engines"

This dataset contains data and results associated with the paper "Large Language Models as molecular design engines" The paper investigates the use of large language models, specifically Claude 3 Opus, for generating and analyzing chemical structures based on various prompts from A-H (as mentioned in the manuscript), and guided design related to electron-withdrawing groups (EWG), electron-donating groups (EDG).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine-Learning X-Ray Absorption Spectra to Quantitative Accuracy

Simulations of excited state properties, such as spectral functions, are often computationally expensive and therefore not suitable for high-throughput modeling. As a proof of principle, here we demonstrate that graph-based neural networks can be used to predict the x-ray absorption near-edge structure spectra of molecules to quantitative accuracy. Specifically, the predicted spectra reproduce nearly all prominent peaks, with 90% of the predicted peak locations within 1 eV of the ground truth. Besides its own utility in spectral analysis and structure inference, our method can be combined with structure search algorithms to enable high-throughput spectrum sampling of the vast material configuration space, which opens up new pathways to material design and discovery.

97 MATHEMATICS AND COMPUTING↗

Computer simulation of the motion of a straight dislocation line in concentrated solid solutions. II

An investigation was undertaken to determine if the size and modulus interaction of a solute atom with a screw dislocation and the modulus interaction with an edge dislocation contributed to strengthening, in addition to the size interaction with an edge dislocation. The results indicate that the size interaction between solute atom and an edge dislocation accounts for most of the solid solution strengthening in f.c.c. alloys. The contribution to the yield stress from the modulus interaction with an edge dislocation is less than 15%. The interaction between a solute atom and a screw dislocation is much less than that between a solute atom and an edge dislocation.

Kuo, C. T. K.↗