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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Convection and chemistry effects in CVD: A 3-D analysis for silicon deposition

The computational fluid dynamics code FLUENT has been adopted to simulate the entire rectangular-channel-like (3-D) geometry of an experimental CVD reactor designed for Si deposition. The code incorporated the effects of both homogeneous (gas phase) and heterogeneous (surface) chemistry with finite reaction rates of important species existing in silane dissociation. The experiments were designed to elucidate the effects of gravitationally-induced buoyancy-driven convection flows on the quality of the grown Si films. This goal is accomplished by contrasting the results obtained from a carrier gas mixture of H2/Ar with the ones obtained from the same molar mixture ratio of H2/He, without any accompanying change in the chemistry. Computationally, these cases are simulated in the terrestrial gravitational field and in the absence of gravity. The numerical results compare favorably with experiments. Powerful computational tools provide invaluable insights into the complex physicochemical phenomena taking place in CVD reactors. Such information is essential for the improved design and optimization of future CVD reactors.

Gokoglu, S. A.↗
DOE OSTI2020

Analytical integration of the tractions induced by non-singular dislocations on an arbitrary shaped triangular quadratic element

Here, an analytical model is proposed to evaluate the nodal force induced by a segment of dislocation upon an arbitrary shaped triangular element. This calculation is required in hybrid methods that associate dislocation dynamics to boundary or finite element to solve simultaneously the evolution of large ensembles of dislocations with complex boundary conditions. Nodal forces are defined as the triple integration of the unbalanced traction field induced by a straight dislocation upon the surface of the element. Following our previous approach (Queyreau et al 2014 Modelling Simul. Mater. Sci. Eng. 22 035004) on a simpler geometry and in the case of linear isotropic elasticity, triple integrals are solved by sequences of integration by parts that exhibit recurrence relations. The traction field is defined and finite everywhere even at the core of dislocations, thanks to the use of the non-singular stress expression formulated by Cai et al (2006 J. Mech. Phys. Solids 54 561–587). The nodal force expressions can be used when considering both a single convolution or double convolution of the Green's function with the core distribution. A solution is also proposed for the case of a semi-infinite segment through the study of the asymptotic behavior of the analytical expressions. The proposed approach is exact and very computationally efficient. The choice of an arbitrary shaped triangular element and quadratic shape functions allow the consideration of complex geometries and comply with automatic meshing procedures. These analytical expressions could also be employed to estimate dislocation interactions with interfaces.

42 ENGINEERING↗
NASA NTRS1991

Development of an integrated BEM approach for hot fluid structure interaction

The development of a comprehensive fluid-structure interaction capability within a boundary element computer code is described. This new capability is implemented in a completely general manner, so that quite arbitrary geometry, material properties and boundary conditions may be specified. Thus, a single analysis code can be used to run structures-only problems, fluids-only problems, or the combined fluid-structure problem. In all three cases, steady or transient conditions can be selected, with or without thermal effects. Nonlinear analyses can be solved via direct iteration or by employing a modified Newton-Raphson approach. A number of detailed numerical examples are included at the end of these two sections to validate the formulations and to emphasize both the accuracy and generality of the computer code. A brief review of the recent applicable boundary element literature is included for completeness. The fluid-structure interaction facility is discussed. Once again, several examples are provided to highlight this unique capability. A collection of potential boundary element applications that have been uncovered as a result of work related to the present grant is given. For most of those problems, satisfactory analysis techniques do not currently exist.

Dargush, G. F.↗
NASA NTRS1992

Numerical methods for the simulation of complex multi-body flows with applications for the integrated Space Shuttle vehicle

This project forms part of the long term computational effort to simulate the time dependent flow over the integrated Space Shuttle vehicle (orbiter, solid rocket boosters (SRB's), external tank (ET), and attach hardware) during its ascent mode for various nominal and abort flight conditions. Due to the limitations of experimental data such as wind tunnel wall effects and the difficulty of safely obtaining valid flight data, numerical simulations are undertaken to supplement the existing data base. This data can then be used to predict the aerodynamic behavior over a wide range of flight conditions. Existing computational results show relatively good overall comparison with experiments but further refinement is required to reduce numerical errors and to obtain finer agreements over a larger parameter space. One of the important goals of this project is to obtain better comparisons between numerical simulations and experiments. In the simulations performed so far, the geometry has been simplified in various ways to reduce the complexity so that useful results can be obtained in a reasonable time frame due to limitations in computer resources. In this project, the finer details of the major components of the Space Shuttle are modeled better by including more complexity in the geometry definition. Smaller components not included in early Space Shuttle simulations will now be modeled and gridded.

Chan, William M.↗
NASA NTRS1991

Combined magnetic vector-scalar potential finite element computation of 3D magnetic field and performance of modified Lundell alternators in Space Station applications

A method of combined use of magnetic vector potential (MVP) based finite element (FE) formulations and magnetic scalar potential (MSP) based FE formulations for computation of three-dimensional (3D) magnetostatic fields is developed. This combined MVP-MSP 3D-FE method leads to considerable reduction by nearly a factor of 3 in the number of unknowns in comparison to the number of unknowns which must be computed in global MVP based FE solutions. This method allows one to incorporate portions of iron cores sandwiched in between coils (conductors) in current-carrying regions. Thus, it greatly simplifies the geometries of current carrying regions (in comparison with the exclusive MSP based methods) in electric machinery applications. A unique feature of this approach is that the global MSP solution is single valued in nature, that is, no branch cut is needed. This is again a superiority over the exclusive MSP based methods. A Newton-Raphson procedure with a concept of an adaptive relaxation factor was developed and successfully used in solving the 3D-FE problem with magnetic material anisotropy and nonlinearity. Accordingly, this combined MVP-MSP 3D-FE method is most suited for solution of large scale global type magnetic field computations in rotating electric machinery with very complex magnetic circuit geometries, as well as nonlinear and anisotropic material properties.

Wang, Ren H.↗
NASA NTRS2013

SPICE: A Geometry Information System Supporting Planetary Mapping, Remote Sensing and Data Mining

SPICE is an information system providing space scientists ready access to a wide assortment of space geometry useful in planning science observations and analyzing the instrument data returned therefrom. The system includes software used to compute many derived parameters such as altitude, LAT/LON and lighting angles, and software able to find when user-specified geometric conditions are obtained. While not a formal standard, it has achieved widespread use in the worldwide planetary science community

planetary science investigations↗
NASA NTRS1987

A Navier-Stokes flow simulation of the Space Shuttle Main Engine Hot Gas Manifold

Incompressible viscous flow inside the turnaround duct, the fuel bowl, the transfer duct and the racetrack of the Space Shuttle Main Engine (SSME) Hot Gas Manifold (HGM) has been computed using the method of pseudo-compressibility together with an implicit, approximate-factorization algorithm. A multiple-zone method is used to make solution of flows in complex geometries easy. A model which predicts the pressure loading for the shield and the injector post arrangement without solving the complex flow field in the main injector region is proposed. The computed results show good qualitative agreement with experimental data.

Yang, Ruey-Jen↗
DOE OSTI2025

Toward Computation-Guided Design of Tunable Organic-Inorganic CdS Quantum Dot Binary Superlattices

Combining the advantages of structural programmability in sequence-defined biomimetic molecules and the controllable packing geometry in nanoparticle superlattices, we demonstrate a self-assembled organic-inorganic superlattice whose structure can be altered with the slightest change in the sequence of the organic counterpart. Here, oleate-coated CdS quantum dots (QDs) form a square-packed superlattice with a 1:1 molar equivalence of a di-block amphiphilic peptoid (Nbrpe6Dig) in chloroform. In contrast, no apparent structure is observed in the organic solvent alone. Based on theoretical evidence, we show that the assembly is a binary superlattice where both the CdS QDs and the peptoids serve as building blocks and further predict a correlation between the superlattice structure and the peptoid sequence. The computationally guided prediction is validated by experiments where superlattice transformation is observed with modified peptoids. The mechanism identified in our work inspires new ways to control and tune organic-inorganic hybrid nanomaterial self-assembly.

Qi, Xin↗
DOE OSTI2023

CFD Data on a Vertical Axis Wave Turbine

In this study January to July, 2023, different variations of the original geometry of a vertical-axis wave turbine (VAWT) were generated and evaluated for hydrodynamic power efficiency using computational fluid dynamics (CFD). The key geometrical parameters considered in this parametric study included the chord length of the rotor blades and the horizontal semi-axis length. The immersion depth of the rotor was also examined as a key deployment parameter for the wave turbine. The CFD simulation results revealed that a medium chord length of the blade (i.e., the same as that of the baseline design) and a shorter horizontal semi-axis for the guide curve of the blade than that of the baseline design resulted in higher hydrodynamic power to extract. With the most efficient turbine rotor geometry identified in this study, a deployment depth that could assure full submergence of the rotor in waves but as close to the free surface as possible led to a higher hydrodynamic power. These findings revealed a pathway for the improvement of the wave turbine energy efficiency.

16 TIDAL AND WAVE POWER↗
NASA NTRS1984

Interactive modeling using the PATRAN-G program

PATRAN-G is an interactive finite element generating and graphics display program. The program is currently executable on the VAX or PRIME computers and is compatible with 19 commercially available graphics terminals. The PATRAN program can be used in two modes: generation of a finite element model, or postprocessing of output data from a finite element analysis program. The finite element generating mode is divided into two phases. Phase I is the geometry construction. During this phase, the geometric boundaries of the model are defined and the material properties are input. Mirror imaging, translation and scaling of lines, surfaces, and volumes, and rotation of regions permit the geometry to be described efficiently. Points may be defined in alternate rectangular, cylindrical, or spherical coordinate systems. Also, PATRAN-G can calculate the intersection of lines or surfaces. This capability allows a user to easily model, for example, the intersection of a cylinder which cuts through a sphere at an angle. Once the geometry of the model has been described in terms of points, lines, surfaces, and volumes. Phase II is used to generate the computer finite element model.

Stalnaker, W. A.↗
NASA NTRS2011

A Generalised Porosity Formalism for Isotropic and Anisotropic Effective Opacity and its Effects on X-ray Line Attenuation in Clumped O Star Winds

We present a generalised formalism for treating the porosity-associated reduction in continuum opacity that occurs when individual clumps in a stochastic medium become optically thick. As in previous work, we concentrate on developing bridging laws between the limits of optically thin and thick clumps. We consider geometries resulting in either isotropic or anisotropic effective opacity, and, in addition to an idealised model in which all clumps have the same local overdensity and scale, we also treat an ensemble of clumps with optical depths set by Markovian statistics. This formalism is then applied to the specific case of bound-free absorption of X- rays in hot star winds, a process not directly affected by clumping in the optically thin limit. We find that the Markov model gives surprisingly similar results to those found previously for the single clump model, suggesting that porous opacity is not very sensitive to details of the assumed clump distribution function. Further, an anisotropic effective opacity favours escape of X-rays emitted in the tangential direction (the venetian blind effect), resulting in a bump of higher flux close to line centre as compared to profiles computed from isotropic porosity models. We demonstrate how this characteristic line shape may be used to diagnose the clump geometry, and we confirm previous results that for optically thick clumping to significantly influence X-ray line profiles, very large porosity lengths, defined as the mean free path between clumps, are required. Moreover, we present the first X-ray line profiles computed directly from line-driven instability simulations using a 3-D patch method, and find that porosity effects from such models also are very small. This further supports the view that porosity has, at most, a marginal effect on X-ray line diagnostics in O stars, and therefore that these diagnostics do indeed provide a good clumping insensitive method for deriving O star mass-loss rates.

Sundqvist, Jon O.↗
NASA NTRS2002

A Generalised Porosity Formalism for Isotropic and Anisotropic Effective Opacity and Its Effects on X-ray Line Attenuation in Clumped O Star Winds

We present a generalised formalism for treating the porosity-associated reduction in continuum opacity that occurs when individual clumps in a stochastic medium become optically thick. As in previous work, we concentrate on developing bridging laws between the limits of optically thin and thick clumps. We consider geometries resulting in either isotropic or anisotropic effective opacity, and, in addition to an idealised model in which all clumps have the same local overdensity and scale, we also treat an ensemble of clumps with optical depths set by Markovian statistics. This formalism is then applied to the specific case of bound-free absorption of X- rays in hot star winds, a process not directly affected by clumping in the optically thin limit. We find that the Markov model gives surprisingly similar results to those found previously for the single clump model, suggesting that porous opacity is not very sensitive to details of the assumed clump distribution function. Further, an anisotropic effective opacity favours escape of X-rays emitted in the tangential direction (the venetian blind effect), resulting in a bump of higher flux close to line centre as compared to profiles computed from isotropic porosity models. We demonstrate how this characteristic line shape may be used to diagnose the clump geometry, and we confirm previous results that for optically thick clumping to significantly influence X-ray line profiles, very large porosity lengths, defined as the mean free path between clumps, are required. Moreover, we present the first X-ray line profiles computed directly from line-driven instability simulations using a 3-D patch method, and find that porosity effects from such models also are very small. This further supports the view that porosity has, at most, a marginal effect on X-ray line diagnostics in O stars, and therefore that these diagnostics do indeed provide a good clumping insensitive method for deriving O star mass-loss rates.

generalised↗
NASA NTRS2002

Parametric Study of a YAV-8B Harrier in Ground Effect using Time-Dependent Navier-Stokes Computations

A process is described which enables the generation of 35 time-dependent viscous solutions for a YAV-8B Harrier in ground effect in one week. Overset grids are used to model the complex geometry of the Harrier aircraft and the interaction of its jets with the ground plane and low-speed ambient flow. The time required to complete this parametric study is drastically reduced through the use of process automation, modern computational platforms, and parallel computing. Moreover, a dual-time-stepping algorithm is described which improves solution robustness. Unsteady flow visualization and a frequency domain analysis are also used to identify and correlated key flow structures with the time variation of lift.

Pandya, Shishir↗
DOE OSTI2023

Computation of forces and stresses in solids: Towards accurate structural optimization with auxiliary-field quantum Monte Carlo

The accurate computation of forces and other energy derivatives has been a long-standing challenge for quantum Monte Carlo methods. A number of technical obstacles contribute to this challenge. We discuss how these obstacles can be removed with the auxiliary-field quantum Monte Carlo (AFQMC) approach. AFQMC is a general, high-accuracy, many-body total-energy method for molecules and solids. The implementation of back-propagation for pure estimators allows direct calculation of gradients of the energy via the Hellmann-Feynman theorem. A planewave basis with norm-conserving pseudopotentials is used for the study of periodic bulk materials. Completeness of the planewave basis minimizes the effect of so-called Pulay terms. The ionic pseudopotentials, which can be incorporated in AFQMC in exactly the same manner as in standard independent-electron methods, regulate the force and stress estimators and eliminate any potential divergence of the Monte Carlo variances. The resulting approach allows applications of full geometry optimizations in bulk materials. As a result, it also paves the way for many-body computations of the phonon spectrum in solids.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine learning and algebraic approaches towards complete matter spectra in 4d F-theory

Motivated by engineering vector-like (Higgs) pairs in the spectrum of 4d F-theory compactifications, we combine machine learning and algebraic geometry techniques to analyze line bundle cohomologies on families of holomorphic curves. To quantify jumps of these cohomologies, we first generate 1.8 million pairs of line bundles and curves embedded in dP 3 , for which we compute the cohomologies. A white-box machine learning approach trained on this data provides intuition for jumps due to curve splittings, which we use to construct additional vector-like Higgs-pairs in an F-Theory toy model. We also find that, in order to explain quantitatively the full dataset, further tools from algebraic geometry, in particular Brill-Noether theory, are required. Using these ingredients, we introduce a diagrammatic way to express cohomology jumps across the parameter space of each family of matter curves, which reflects a stratification of the F-theory complex structure moduli space in terms of the vector-like spectrum. Furthermore, these insights provide an algorithmically efficient way to estimate the possible cohomology dimensions across the entire parameter space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

NASA data exchange standards for computational fluid dynamics

This presentation covers the following topics in viewgraph format: purpose of data exchange standards; data exchange in engineering analysis/CFD; geometry data exchange through existing product data exchange standards, NASA Data Exchange Committee, and NASA-IGES (Initial Graphics Exchange Specification); CFD grid and solution data exchange; and data exchange for multi-disciplinary engineering.

Matthew Blake↗
DOE OSTI2024

Geometry-aware training of factorized layers in tensor Tucker format

Reducing parameter redundancies in neural network architectures is crucial for achieving feasible computational and memory requirements during train and inference of large networks. Given its easy implementation and flexibility, one promising approach is layer factorization, which reshapes weight tensors into a matrix format and parameterizes it as the product of two rank-r matrices. However, this family of approaches often requires an initial full-model warm-up phase, prior knowledge of a feasible rank, and it is sensitive to parameter initialization.In this work, we introduce a novel approach to train the factors of a Tucker decomposition of the weight tensors. Our training proposal proves to be optimal in locally approximating the original unfactorized dynamics and stable for the initialization. Furthermore, the rank of each mode is dynamically updated during training.We provide a theoretical analysis of the algorithm, showing convergence, approximation and local descent guarantees. The method's performance is further illustrated through a variety of experiments, showing remarkable training compression rates and comparable or even better performance than the full baseline and alternative layer factorization strategies.

Zangrando, Emanuele [Gran Sasso Science Institute ↗
NASA NTRS1992

Computational methods in the prediction of advanced subsonic and supersonic propeller induced noise: ASSPIN users' manual

This document describes the computational aspects of propeller noise prediction in the time domain and the use of high speed propeller noise prediction program ASSPIN (Advanced Subsonic and Supersonic Propeller Induced Noise). These formulations are valid in both the near and far fields. Two formulations are utilized by ASSPIN: (1) one is used for subsonic portions of the propeller blade; and (2) the second is used for transonic and supersonic regions on the blade. Switching between the two formulations is done automatically. ASSPIN incorporates advanced blade geometry and surface pressure modelling, adaptive observer time grid strategies, and contains enhanced numerical algorithms that result in reduced computational time. In addition, the ability to treat the nonaxial inflow case has been included.

Dunn, M. H.↗