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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Numerical Simulation of Vibrational Sum Frequency Generation Intensity for Non-Centrosymmetric Domains Interspersed in an Amorphous Matrix: A Case Study for Cellulose in Plant Cell Wall

Vibrational sum frequency generation (SFG) spectroscopy can specifically probe molecular species non-centrosymmetrically arranged in a centrosymmetric or isotropic medium. This capability has been extensively utilized to detect and study molecular species present at the two-dimensional (2D) interface at which the centrosymmetry or isotropy of bulk phases is naturally broken. The same principle has been demonstrated to be very effective for the selective detection of non-centrosymmetric crystalline nanodomains interspersed in three-dimensional (3D) amorphous phases. However, the full spectral interpretation of SFG features has been difficult due to the complexity associated with the theoretical calculation of SFG responses of such 3D systems. This paper describes a numerical method to predict the relative SFG intensities of non-centrosymmetric nanodomains in 3D systems as functions of their size and concentration as well as their assembly patterns, i.e., the distributions of tilt, azimuth, and rotation angles with respect to the lab coordinate. We applied the developed method to predict changes in the CH and OH stretch modes characteristic to crystalline cellulose microfibrils distributed with various orders, which are relevant to plant cell wall structures. As a result, the same algorithm can also be applied to any SFG-active nanodomains interspersed in 3D amorphous matrices.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Instabilities in astrophysical jets. II - Numerical simulations of slab jets

Numerical simulations of an unstable supersonic slab-symmetric jet are described. The instabilities within the jet are characterized by growing internal body waves and their coupled surface waves that are also predicted in linear perturbation theory. The characteristic theory of fluid dynamics is used to help interpret the wave morphologies. It is demonstrated that these waves can be excited by imposing an arbitrary disturbance. From the numerical simulations, it is found that the sound waves propagating against the flow slow down as they propagate outward, and they grow in amplitude. These waves eventually disrupt the jet at a certain length. This disruption length is related to the jet Mach number and the perturbation intensity. Thus, the Mach number of a jet observed with a radio telescope can be estimated by measuring the disruption length and estimating the perturbation intensity. The jet Mach numbers in radio tailed sources determined in this way agree quite well with estimates from ram pressure bending arguments. The wiggles and flares observed in many extragalactic jets, especially in tailed radio sources, appear to be intimately related to instabilities and the jet disruption process.

Zhao, Jun-Hui↗
NASA NTRS1996

Evaluation of Temperature Gradient in Advanced Automated Directional Solidification Furnace (AADSF) by Numerical Simulation

A numerical model of heat transfer using combined conduction, radiation and convection in AADSF was used to evaluate temperature gradients in the vicinity of the crystal/melt interface for variety of hot and cold zone set point temperatures specifically for the growth of mercury cadmium telluride (MCT). Reverse usage of hot and cold zones was simulated to aid the choice of proper orientation of crystal/melt interface regarding residual acceleration vector without actual change of furnace location on board the orbiter. It appears that an additional booster heater will be extremely helpful to ensure desired temperature gradient when hot and cold zones are reversed. Further efforts are required to investigate advantages/disadvantages of symmetrical furnace design (i.e. with similar length of hot and cold zones).

Bune, Andris V.↗
NASA NTRS1987

Advanced in turbulence physics and modeling by direct numerical simulations

The advent of direct numerical simulations of turbulence has opened avenues for research on turbulence physics and turbulence modeling. Direct numerical simulation provides values for anything that the scientist or modeler would like to know about the flow. An overview of some recent advances in the physical understanding of turbulence and in turbulence modeling obtained through such simulations is presented.

Reynolds, W. C.↗
NASA NTRS2002

Numerical Simulations of Vortex Generator Vanes and Jets on a Flat Plate

Numerical simulations of a single low-profile vortex generator vane, which is only a small fraction of the boundary-layer thickness, and a vortex generating jet have been performed for flows over a flat plate. The numerical simulations were computed by solving the steady-state solution to the Reynolds-averaged Navier-Stokes equations. The vortex generating vane results were evaluated by comparing the strength and trajectory of the streamwise vortex to experimental particle image velocimetry measurements. From the numerical simulations of the vane case, it was observed that the Shear-Stress Transport (SST) turbulence model resulted in a better prediction of the streamwise peak vorticity and trajectory when compared to the Spalart-Allmaras (SA) turbulence model. It is shown in this investigation that the estimation of the turbulent eddy viscosity near the vortex core, for both the vane and jet simulations, was higher for the SA model when compared to the SST model. Even though the numerical simulations of the vortex generating vane were able to predict the trajectory of the stream-wise vortex, the initial magnitude and decay of the peak streamwise vorticity were significantly under predicted. A comparison of the positive circulation associated with the streamwise vortex showed that while the numerical simulations produced a more diffused vortex, the vortex strength compared very well to the experimental observations. A grid resolution study for the vortex generating vane was also performed showing that the diffusion of the vortex was not a result of insufficient grid resolution. Comparisons were also made between a fully modeled trapezoidal vane with finite thickness to a simply modeled rectangular thin vane. The comparisons showed that the simply modeled rectangular vane produced a streamwise vortex which had a strength and trajectory very similar to the fully modeled trapezoidal vane.

Allan, Brian G.↗
NASA NTRS2007

Three Dimensional Constraint Effects on the Estimated (Delta)CTOD during the Numerical Simulation of Different Fatigue Threshold Testing Techniques

Variation in constraint through the thickness of a specimen effects the cyclic crack-tip-opening displacement (DELTA CTOD). DELTA CTOD is a valuable measure of crack growth behavior, indicating closure development, constraint variations and load history effects. Fatigue loading with a continual load reduction was used to simulate the load history associated with fatigue crack growth threshold measurements. The constraint effect on the estimated DELTA CTOD is studied by carrying out three-dimensional elastic-plastic finite element simulations. The analysis involves numerical simulation of different standard fatigue threshold test schemes to determine how each test scheme affects DELTA CTOD. The American Society for Testing and Materials (ASTM) prescribes standard load reduction procedures for threshold testing using either the constant stress ratio (R) or constant maximum stress intensity (K(sub max)) methods. Different specimen types defined in the standard, namely the compact tension, C(T), and middle cracked tension, M(T), specimens were used in this simulation. The threshold simulations were conducted with different initial K(sub max) values to study its effect on estimated DELTA CTOD. During each simulation, the DELTA CTOD was estimated at every load increment during the load reduction procedure. Previous numerical simulation results indicate that the constant R load reduction method generates a plastic wake resulting in remote crack closure during unloading. Upon reloading, this remote contact location was observed to remain in contact well after the crack tip was fully open. The final region to open is located at the point at which the load reduction was initiated and at the free surface of the specimen. However, simulations carried out using the constant Kmax load reduction procedure did not indicate remote crack closure. Previous analysis results using various starting K(sub max) values and different load reduction rates have indicated DELTA CTOD is independent of specimen size. A study of the effect of specimen thickness and geometry on the measured DELTA CTOD for various load reduction procedures and its implication in the estimation of fatigue crack growth threshold values is discussed.

Seshadri, Banavara R.↗
NASA NTRS1987

On direct numerical simulations of turbulent reacting flows

A description of the emerging field of direct numerical simulations of turbulent, chemically reacting flows is presented. The types of direct numerical simulations, physical issues related to implementing the simulations, as well as the various numerical methods used are described. Examples are presented of recent applications of direct numerical simulations to a variety of problems, displaying both the potential of the method and also some of its limitations. Finally, our view of the potential role of direct numerical simulations in future research on turbulent, chemically reacting flows is presented.

Jou, W.-H.↗
NASA NTRS1987

Vortical flow aerodynamics - Physical aspects and numerical simulation

Progress in the numerical simulation of vortical flow due to three-dimensional flow separation about flight vehicles at high angles of attack and quasi-steady flight conditions is surveyed. Primary emphasis is placed on Euler and Reynolds-averaged Navier-Stokes methods where the vortices are 'captured' as a solution to the governing equations. A discussion of the relevant flow physics provides a perspective from which to assess numerical solutions. Current numerical prediction capabilities and their evolutionary development are surveyed. Future trends and challenges are identified and discussed.

Newsome, Richard W.↗
DOE OSTI2016

The importance of the cathode plume and its interactions with the ion beam in numerical simulations of Hall thrusters

Numerical simulations with a 2-D axisymmetric multi-fluid plasma code illustrate the significance of the near-plume interactions in investigations of the anomalous electron transport in Hall thrusters. In our simulations, the transport of electrons is modeled using an anomalous collision frequency, ν{sub anom}, yielding ν{sub anom} ≈ ω{sub ce} (i.e., the electron cyclotron frequency) in the near-plume region. We first show that restricting the anomalous collision frequency in this region to only within the ion beam, where the current density of ions is large, does not alter the plasma discharge in the Hall thruster as long as the interaction between the beam and the cathode plume is captured properly. These simulations suggest that electron transport occurs largely inside the beam. A second finding is on the significance of accounting for the ion acoustic turbulence (IAT), now known to occur in the vicinity of the cathode exit. We have included in our simulations a model of the IAT-driven anomalous collision frequency based on Sagdeev's model for saturation of the ion-acoustic instability. This implementation has allowed us to achieve excellent agreement with experimental measurements in the near plume of the H6 Hall thruster. Low frequency plasma oscillations similar in both magnitude and frequency to those found in the H6 thruster are recovered in our simulations when the model for the anomalous collision frequency in the cathode plume is included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1983

On numerical simulation of viscous flows

Numerical simulation methods for viscous incompressible laminar flows are reviewed, with a focus on finite-difference schemes. The approaches to high/moderate-Reynolds-number flows (strong-viscous-interaction model or single sets of equations) and the factors affecting the versatility, reliability, and accuracy of the analysis algorithms are considered; approximate-factorization implicit solution techniques for low-Reynolds-number flows are discussed; and the procedures used in a number of specific problems are indicated.

Ghia, K. N.↗
NASA NTRS1987

Study of Lagrangian characteristic times using direct numerical simulation of turbulence

Direct numerical simulations and large eddy simulations of homogeneous isotropic turbulence are used to compute Lagrangian statistics of turbulence and, in particular, its time scales. The computed time scales are compared with the spectral times scales that are frequently used in Eddy Damped Quasi-Normal Markovian calculations of the spectrum. The time scale models are rather good at high wavenumber and the results point to directions for improvement of the time scales at low wavenumber.

Lee, C. H.↗
DOE OSTI2016

ON IMPROVING ANALYTICAL MODELS OF COSMIC REIONIZATION FOR MATCHING NUMERICAL SIMULATION

The methods for studying the epoch of cosmic reionization vary from full radiative transfer simulations to purely analytical models. While numerical approaches are computationally expensive and are not suitable for generating many mock catalogs, analytical methods are based on assumptions and approximations. We explore the interconnection between both methods. First, we ask how the analytical framework of excursion set formalism can be used for statistical analysis of numerical simulations and visual representation of the morphology of ionization fronts. Second, we explore the methods of training the analytical model on a given numerical simulation. We present a new code which emerged from this study. Its main application is to match the analytical model with a numerical simulation. Then, it allows one to generate mock reionization catalogs with volumes exceeding the original simulation quickly and computationally inexpensively, meanwhile reproducing large-scale statistical properties. These mock catalogs are particularly useful for cosmic microwave background polarization and 21 cm experiments, where large volumes are required to simulate the observed signal.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Numerical simulations of catastrophic disruption: Recent results

Numerical simulations have been used to study high velocity two-body impacts. In this paper, a two-dimensional Largrangian finite difference hydro-code and a three-dimensional smooth particle hydro-code (SPH) are described and initial results reported. These codes can be, and have been, used to make specific predictions about particular objects in our solar system. But more significantly, they allow us to explore a broad range of collisional events. Certain parameters (size, time) can be studied only over a very restricted range within the laboratory; other parameters (initial spin, low gravity, exotic structure or composition) are difficult to study at all experimentally. The outcomes of numerical simulations lead to a more general and accurate understanding of impacts in their many forms.

Benz, W.↗
NASA NTRS2013

Experimental Validation of Numerical Simulations for an Acoustic Liner in Grazing Flow

A coordinated experimental and numerical simulation effort is carried out to improve our understanding of the physics of acoustic liners in a grazing flow as well our computational aeroacoustics (CAA) method prediction capability. A numerical simulation code based on advanced CAA methods is developed. In a parallel effort, experiments are performed using the Grazing Flow Impedance Tube at the NASA Langley Research Center. In the experiment, a liner is installed in the upper wall of a rectangular flow duct with a 2 inch by 2.5 inch cross section. Spatial distribution of sound pressure levels and relative phases are measured on the wall opposite the liner in the presence of a Mach 0.3 grazing flow. The computer code is validated by comparing computed results with experimental measurements. Good agreements are found. The numerical simulation code is then used to investigate the physical properties of the acoustic liner. It is shown that an acoustic liner can produce self-noise in the presence of a grazing flow and that a feedback acoustic resonance mechanism is responsible for the generation of this liner self-noise. In addition, the same mechanism also creates additional liner drag. An estimate, based on numerical simulation data, indicates that for a resonant liner with a 10% open area ratio, the drag increase would be about 4% of the turbulent boundary layer drag over a flat wall.

Tam, Christopher K. W.↗
NASA NTRS1985

Numerical simulation of precipitation induced downbursts

Using the Terminal Area Simulation System (TASS), numerical simulations of downburst structure and sensitivity, based on vertical profiles of environmental temperature, humidity and wind velocity observed during the June and August 1982 JAWS project, are presented. Two-dimensional axisymmetric simulations examining downburst evolution, structure and sensitivity, assume a 40-m constant grid size on a 10-km diameter 5-km deep cylindrical domain. The three-dimensional experiment, examining the effects of vertical wind shear and other asymmetrical aspects of the downpour, assumed a 500-m constant horizontal grid size and a 35 x 35 x 18.5-km area. In the downburst primary structure depicted, outflow speeds were found to be sensitive to environmental temperature and humidity, as well as to precipitation radius and intensity. A vortex ring was found to propagate downwards, and maximum outflow winds occur when the vortex ring first reaches the surface.

Proctor, F. H.↗
NASA NTRS2004

Studying Turbulence Using Numerical Simulation Databases - X Proceedings of the 2004 Summer Program

This Proceedings volume contains 32 papers that span a wide range of topics that reflect the ubiquity of turbulence. The papers have been divided into six groups: 1) Solar Simulations; 2) Magnetohydrodynamics (MHD); 3) Large Eddy Simulation (LES) and Numerical Simulations; 4) Reynolds Averaged Navier Stokes (RANS) Modeling and Simulations; 5) Stability and Acoustics; 6) Combustion and Multi-Phase Flow.

Moin, Parviz↗