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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Chemisorption and Diffusion of H on a Graphene Sheet and Single-Wall Carbon Nanotubes

Recent experiments on hydrogen storage in single wall nanotubes and nanotube bundles have reported large fractional weight of stored molecular hydrogen which are not in agreement with theoretical estimates based of simulation of hydrogen storage by physisorption mechanisms. Hydrogen storage in catalytically doped nanotube bundles indicate that atomic H might undergo chemisorption changing the basic nature of the storage mechanism under investigation by many groups. Using a generalized tight-binding molecular dynamics (GTBMD) method for reactive C-H dynamics, we investigate chemisorption and diffusion of atomic H on graphene sheet and C nanotubes. Effective potential energy surfaces (EPS) for chemisorption and diffusion are calculated for graphene sheet and nanotubes of different curvatures. Analysis of the activation barriers and quantum rate constants, computed via wave-packet dynamics method, will be discussed in this presentation.

Srivastava, Deepak↗
NASA NTRS2000

Internal Wave Study in the South China Sea Using SAR

Recently, the internal wave distribution maps in the China Seas have been compiled from hundreds of ERS-1/2, RADARSAT, and Space Shuttle SAR (Synthetic Aperture Radar) images from 1993 to 1999. Based on internal wave distribution map, most of internal waves in the northeast part of South China Sea were propagating westward. The wave crest can be as long as 200 km with amplitude of 100 m due to strong current from the Kuroshio branching out into the South China Sea. Based on the observations from drilling rigs near DongSha Island by Amoco Production Co., the solitons may be generated in a 4 km wide channel between Batan and Sabtang islands in Luzon Strait. The proposed generation mechanism is similar to the lee wave formation from a shallow topography. Both depression and elevation internal waves have been observed in the same RADARSAT ScanSAR image on May 4, 1998 near DongSha Island. Furthermore, depression and elevation internal waves have also been observed by SAR at the same location on the shelf in April and June, 1993 (in different seasons) respectively. Numerical models have been used to interpret their generation mechanism and evolution processes. Based on the SAR images, near DongSha Island, the westward propagating huge internal solitons are often encountered and diffracted/broken by the coral reefs on the shelf. After passing the island, the diffracted waves will re-merge or interact with each other. It has been observed that after the nonlinear wave-wave interaction, the phase of wave packet is shifted and wavelength is also changed. Examples of mesoscale features observed in SAR images, such as fronts, raincells, bathymetry, ship wakes, and oil spills will be presented. Recent mooring measurements in April 1999 near Dongsha Island, future field test ASIAEX (Asian Seas International Acoustics Experiment) planned for April 2001, and some pretest survey data will be discussed in this paper.

Liu, Antony K.↗
NASA NTRS2001

Seismic Study of the Dynamics of the Solar Subsurface from SoHO Observations

In collaboration with Dr. Baudin, we have developed and refined the new observational methodology for local helioseismology known as time-distance analysis. Global helioseismology study the solar oscillations as a superposition of resonant modes, whose properties (mode frequencies) reflect the global structure of the sun (sound speed stratification, rotation rate, etc). In contrast, local helioseismology look at the solar oscillations as wave packets whose propagation will be affected by perturbations of the media sampled. These local perturbations (sound speed or velocity flows) will modify the propagation time, that in turn can be used as a diagnostic tool for a given region. From a data reduction perspective, the processing of solar dopplergrams that result in time-distance maps, i.e. propagation times as a function of distance between bounces at the surface, is radically different from the methodology used for global mode analysis. We have, in a first step, further develop the programs needed to carry out such analysis. We have then applied them to NMI data set, and explore the trade-off between various averaging and filtering approaches - steps required to improve the signal-to-noise ratio of correlation maps - and the resulting stability and precision of the fitted propagation times. While excessive averaging (whether over space, propagation distance, or time) will reduce the diagnostic potential of the method, insufficient averaging lead to unstable fits, or uncertainties so large as to hide the information we seek. In a second phase, we have developed the analysis methodology required to infer local properties from perturbation in time propagation. Namely, we have developed time-distance inversion techniques, with an emphasis on inferences of velocity flows from time anomalies. Note also that during the period covered by this grant, all the investigators on this proposal (i.e., Drs. Baudin, Eff-Darwich, Korzennik, and Noyes) took part in the organization of the SOHO 6 /GONG 99 Workshop: Structure and Dynamics of the Interior of the Sun and Sunlike Stars, held on June 1-4 1999 at the Boston Park Plaza Hotel in Boston, Massachusetts, USA. it was very well attended by more than 160 participants from 26 countries from all over the world. The proceedings were published in two volumes as ESA SP-418, with Sessions I-III in Volume 1, and Sessions IV-VI in Volume 2 (1,000 pages in total). The complete contents are also included in digital form on a CD-ROM included with Volume 1. This CD-ROM also contains additional multi-media material that complements some of the contributions.

Korzennik, Sylvain G.↗
NASA NTRS2002

A Time-Dependent Quantum Dynamics Study of the H2 + CH3 yields H + CH4 Reaction

We present a time-dependent wave-packet propagation calculation for the H2 + CH3 yields H + CH4 reaction in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probability for different initial rotational-vibrational states are presented in this study. The cumulative reaction probability (CRP) is obtained by summing over initial-state-selected reaction probability. The energy-shift approximation to account for the contribution of degrees of freedom missing in the 6D calculation is employed to obtain an approximate full-dimensional CRP. Thermal rate constant is compared with different experiment results.

Wang, Dunyou↗
NASA NTRS2002

Quantum Dynamics Study of the Isotopic Effect on Capture Reactions: HD, D2 + CH3

Time-dependent wave-packet-propagation calculations are reported for the isotopic reactions, HD + CH3 and D2 + CH3, in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probabilities for different initial rotational-vibrational states are presented in this study. This study shows that excitations of the HD(D2) enhances the reactivities; whereas the excitations of the CH3 umbrella mode have the opposite effects. This is consistent with the reaction of H2 + CH3. The comparison of these three isotopic reactions also shows the isotopic effects in the initial-state-selected reaction probabilities. The cumulative reaction probabilities (CRP) are obtained by summing over initial-state-selected reaction probabilities. The energy-shift approximation to account for the contribution of degrees of freedom missing in the six dimensionality calculation is employed to obtain approximate full-dimensional CRPs. The rate constant comparison shows H2 + CH3 reaction has the biggest reactivity, then HD + CH3, and D2 + CH3 has the smallest.

Wang, Dunyou↗
NASA NTRS2002

Quantal Study of the Exchange Reaction for N + N2 using an ab initio Potential Energy Surface

The N + N2 exchange rate is calculated using a time-dependent quantum dynamics method on a newly determined ab initio potential energy surface (PES) for the ground A" state. This ab initio PES shows a double barrier feature in the interaction region with the barrier height at 47.2 kcal/mol, and a shallow well between these two barriers, with the minimum at 43.7 kcal/mol. A quantum dynamics wave packet calculation has been carried out using the fitted PES to compute the cumulative reaction probability for the exchange reaction of N + N2(J=O). The J - K shift method is then employed to obtain the rate constant for this reaction. The calculated rate constant is compared with experimental data and a recent quasi-classical calculation using a LEPS PES. Significant differences are found between the present and quasiclassical results. The present rate calculation is the first accurate 3D quantal dynamics study for N + N2 reaction system and the ab initio PES reported here is the first such surface for N3.

Wang, Dunyou↗
NASA NTRS2003

Quantum Dynamics Scattering Study of AB+CDE Reactions: A Seven Dimensional Treatment for the H2+C2H Reaction

A time-dependent wave-packet approach is presented for the quantum dynamics study of the AB+CDE reaction system for zero total angular momentum. A seven-degree-of-freedom calculation is employed to study the chemical reaction of H2+C2H yields H + C2H2 by treating C2H as a linear molecule. Initial state selected reaction probabilities are presented for various initial ro-vibrational states. This study shows that vibrational excitation of H2 enhances the reaction probability, whereas the excitation of C2H has only a small effect on the reactivity. An integral cross section is also reported for the initial ground states of H2 and C2H. The theoretical and experimental results agree with each other very well when the calculated seven dimensional results are adjusted to account for the lower transition state barrier heights found in recent ab initio calculations.

Wang, Dunyou↗
NASA NTRS2004

Minnowbrook IV: 2003 Workshop on Transition and Unsteady Aspects of Turbomachinery Flows

This Minnowbrook IV 2003 workshop on Transition and Unsteady Aspects of Turbomachinery Flows includes the following topics: 1) Current Issues in Unsteady Turbomachinery Flows; 2) Global Instability and Control of Low-Pressure Turbine Flows; 3) Influence of End Wall Leakage on Secondary Flow Development in Axial Turbines; 4) Active and Passive Flow Control on Low Pressure Turbine Airfoils; 5) Experimental and Numerical Investigation of Transitional Flows as Affected by Passing Wakes; 6) Effects of Freestream Turbulence on Turbine Blade Heat Transfer; 7) Bypass Transition Via Continuous Modes and Unsteady Effects on Film Cooling; 8) High Frequency Surface Heat Flux Imaging of Bypass Transition; 9) Skin Friction and Heat Flux Oscillations in Upstream Moving Wave Packets; 10) Transition Mechanisms and Use of Surface Roughness to Enhance the Benefits of Wake Passing in LP Turbines; 11) Transient Growth Approach to Roughness-Induced Transition; 12) Roughness- and Freestream-Turbulence-Induced Transient Growth as a Bypass Transition Mechanism; 13) Receptivity Calculations as a Means to Predicting Transition; 14) On Streamwise Vortices in a Curved Wall Jet and Their Effect on the Mean Flow; 15) Plasma Actuators for Separation Control of Low Pressure Turbine Blades; 16) Boundary-Layer Separation Control Under Low-Pressure-Turbine Conditions Using Glow-Discharge Plasma Actuators; 17) Control of Separation for Low Pressure Turbine Blades: Numerical Simulation; 18) Effects of Elevated Free-Stream Turbulence on Active Control of a Separation Bubble; 19) Wakes, Calming and Transition Under Strong Adverse Pressure Gradients; 20) Transitional Bubble in Periodic Flow Phase Shift; 21) Modelling Spots: The Calmed Region, Pressure Gradient Effects and Background; 22) Modeling of Unsteady Transitional Flow on Axial Compressor Blades; 23) Challenges in Predicting Component Efficiencies in Turbomachines With Low Reynolds Number Blading; 24) Observations on the Causal Relationship Between Blade Count and Developing Rotating Stall in a Four Stage Axial Compressor; 25) Experimental and Numerical Study of Non-Linear Interactions in Transonic Nozzle Flow; 26) Clocking Effects on a Modern Stage and One-Half Transonic Turbine; 27) DNS and LES of Transition on Turbine Blades; 28) The Use of Cellular Automata in Modeling the Transition; 29) Predicting Unsteady Buffet Onset Using RANS Solutions; 30) Transition Modelling With the SST Turbulence Model and an Intermittency Transport; and 31) Equation Workshop Summary Transcript

LaGraff, John E.↗
NASA NTRS1995

Direct Simulation of Evolution and Control of Three-Dimensional Instabilities in Attachment-Line Boundary Layers

The spatial evolution of three-dimensional disturbances in an attachment-line boundary layer is computed by direct numerical simulation of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced into the boundary layer by harmonic sources that involve unsteady suction and blowing through the wall. Various harmonic- source generators are implemented on or near the attachment line, and the disturbance evolutions are compared. Previous two-dimensional simulation results and nonparallel theory are compared with the present results. The three-dimensional simulation results for disturbances with quasi-two-dimensional features indicate growth rates of only a few percent larger than pure two-dimensional results; however, the results are close enough to enable the use of the more computationally efficient, two-dimensional approach. However, true three-dimensional disturbances are more likely in practice and are more stable than two-dimensional disturbances. Disturbances generated off (but near) the attachment line spread both away from and toward the attachment line as they evolve. The evolution pattern is comparable to wave packets in at-plate boundary-layer flows. Suction stabilizes the quasi-two-dimensional attachment-line instabilities, and blowing destabilizes these instabilities; these results qualitatively agree with the theory. Furthermore, suction stabilizes the disturbances that develop off the attachment line. Clearly, disturbances that are generated near the attachment line can supply energy to attachment-line instabilities, but suction can be used to stabilize these instabilities.

Joslin, Ronald D.↗
NASA NTRS2007

Can the Hypothesis 'Photon Interferes only with Itself' be Reconciled with Superposition of Light from Multiple Beams or Sources?

Any superposition effect as measured (SEM) by us is the summation of simultaneous stimulations experienced by a detector due to the presence of multiple copies of a detectee each carrying different values of the same parameter. We discus the cases with light beams carrying same frequency for both diffraction and multiple beam Fabry-Perot interferometer and also a case where the two superposed light beams carry different frequencies. Our key argument is that if light really consists of indivisible elementary particle, photon, then it cannot by itself create superposition effect since the state vector of an elementary particle cannot carry more than one values of any parameter at the same time. Fortunately, semiclassical model explains all light induced interactions using quantized atoms and classical EM wave packet. Classical physics, with its deeper commitment to Reality Ontology, was better prepared to nurture the emergence of Quantum Mechanics and still can provide guidance to explore nature deeper if we pay careful attention to successful classical formulations like Huygens-Fresnel diffraction integral.

Roychoudhuri, Chandrasekhar↗
NASA NTRS2007

On the Evolution of Localized Disturbances and their Spanwise Interactions Leading to Breakdown

Localized disturbances in a laminar boundary layer represent a more realistic model of transition than the extensively studies, two or quasi three-dimensional perturbations regardless of the fact if they evolve in a linear manner or not. Localized disturbances can originate by surface imperfections, insects or dust. The disturbances can be harmonic (i.e. containing a single frequency and a complete set of spanwise wave numbers) or Pulsed (i.e. containing a band of streamwise and spanwise wave numbers). At sufficiently low amplitudes localized disturbances behave according to a linear stability model. It is highly probably that in a natural transition process such localized disturbances will overslap and interact. These interactions could either delay transition because of a partial wave cancellation resulting in an attenuation of the disturbance, or adversely enhance it by promoting nonlinear interactions. The nonlinearity could be simply amplitude dependent or cause a triad resonance. Nonlinear processes in a wave packet lead to breakdown and to the formation of turbulent spots. When the amplitude of the harmonic disturbance saturates, nonlinear processes widen the band of the lower amplified frequencies adjacent to the frequency of excitation. Experimental results describing the spanwise interactions of harmonic and pulsed localized disturbances leading to breakdown will be presented and discussed. A comparison to the evolution and breakdown of a single localized disturbance will be provided.

Seifert, Avi↗
NASA NTRS2008

Simulations of Solar Wind Turbulence

Recently we have restructured our approach to simulating magnetohydrodynamic (MHD) turbulence in the solar wind. Previously, we had defined a 'virtual' heliosphere that contained, for example, a tilted rotating current sheet, microstreams, quasi-two-dimensional fluctuations as well as Alfven waves. In this new version of the code, we use the global, time-stationary, WKB Alfven wave-driven solar wind model developed by Usmanov and described in Usmanov and Goldstein [2003] to define the initial state of the system. Consequently, current sheets, and fast and slow streams are computed self-consistently from an inner, photospheric, boundary. To this steady-state configuration, we add fluctuations close to, but above, the surface where the flow become super-Alfvenic. The time-dependent MHD equations are then solved using a semi-discrete third-order Central Weighted Essentially Non-Oscillatory (CWENO) numerical scheme. The computational domain now includes the entire sphere; the geometrical singularity at the poles is removed using the multiple grid approach described in Usmanov [1996]. Wave packets are introduced at the inner boundary such as to satisfy Faraday's Law [Yeh and Dryer, 1985] and their nonlinear evolution are followed in time.

Goldstein, Melvyn L.↗
NASA NTRS2007

Efforts to Simulate Solar Wind Turbulence

A three-dimensional integration of the MHD equations in spherical coordinates has been developed that attempts to simulate a variety of solar wind conditions. These include the interaction of Alfven wave packets and the development of a turbulent cascade, the role of the heliospheric current sheet, the role of quasi-two-dimensional fluctuations in determining how magnetic field lines meander throughout the heliosphere, and the role of interstellar pickup ions in perturbing the solar wind in the outer heliosphere.

Goldstein, Melvyn L.↗
NASA NTRS2010

Time-Gating Processes in Intra-Cavity Mode-Locking Devices Like Saturable Absorbers and Kerr Cells

Photons are non-interacting entities. Light beams do not interfere by themselves. Light beams constituting different laser modes (frequencies) are not capable of re-arranging their energies from extended time-domain to ultra-short time-domain by themselves without the aid of light-matter interactions with suitable intra-cavity devices. In this paper we will discuss the time-gating properties of intra-cavity "mode-locking" devices that actually help generate a regular train of high energy wave packets.

Prasad, Narasimha↗
NASA NTRS2011

Observation of Relativistic Electron Microbursts in Conjunction with Intense Radiation Belt Whistler-Mode Waves

We present multi-satellite observations of large amplitude radiation belt whistler-mode waves and relativistic electron precipitation. On separate occasions during the Wind petal orbits and STEREO phasing orbits, Wind and STEREO recorded intense whistler-mode waves in the outer nightside equatorial radiation belt with peak-to-peak amplitudes exceeding 300 mV/m. During these intervals of intense wave activity, SAMPEX recorded relativistic electron microbursts in near magnetic conjunction with Wind and STEREO. This evidence of microburst precipitation occurring at the same time and at nearly the same magnetic local time and L-shell with a bursty temporal structure similar to that of the observed large amplitude wave packets suggests a causal connection between the two phenomena. Simulation studies corroborate this idea, showing that nonlinear wave.particle interactions may result in rapid energization and scattering on timescales comparable to those of the impulsive relativistic electron precipitation.

Kersten, K.↗
NASA NTRS2013

High-Order Simulation of Induced Disturbance in a Mach 6 Boundary Layer

Simulations of the early evolution of induced unstable disturbances in a Mach 6 hypersonic boundary layer are presented for the purposes of validating a high-order discontinuous Galerkin Navier-Stokes simulation code. The simulations are modeled after experiments performed in the Boeing/AFOSR Mach-6 Quiet Tunnel at Purdue University. In these experiments, a forcing mechanism was employed to induce reproducible disturbances in a hypersonic boundary layer providing for the controlled study of the growth and breakdown of these disturbances into turbulent spots. Simulations revealed that the form and strength of the excitation can greatly influence the growth of the disturbance. In particular, at large forcing amplitude, the simulated forcing produces large advecting transients that appear to enhance the growth of the wave packet, relative to that of low amplitude forcing. Simulation results with large amplitude forcing agree well with experimental results while results from low amplitude forcing agree with linear stability theory.

Atkins, Harold L.↗
NASA NTRS2017

Properties, Propagation, and Excitation of EMIC Waves Properties, Propagation, and Excitation of EMIC Waves

Electromagnetic ion cyclotron (EMIC) waves (0.1-5 Hz) play an important role in particle dynamics in the Earth's magnetosphere. EMIC waves are preferentially excited in regions where hot anisotropic ions and cold dense plasma populations spatially overlap. While the generation region of EMIC waves is usually on or near the magnetic equatorial plane in the inner magnetosphere, EMIC waves have both equatorial and off-equator source regions on the dayside in the compressed outer magnetosphere. Using field and plasma measurements from the Magnetospheric Multiscale (MMS) mission, we perform a case study of EMIC waves and associated local plasma conditions observed on 19 October 2015. From 0315 to 0810 UT, before crossing the magnetopause into the magnetosheath, all four MMS spacecraft detected long-lasting He(exp +)-band EMIC wave emissions around local noon (MLT = 12.7 - 14.0) at high L-shells (L = 8.8 - 15.2) and low magnetic latitudes (MLAT = -21.8deg - -30.3deg). Energetic (greater than 1 keV) and anisotropic ions were present throughout this event that was in the recovery phase of a weak geomagnetic storm (min. Dst = -48 nT at 1000 UT on 18 October 2015). The testing of linear theory suggests that the EMIC waves were excited locally. Although the wave event is dominated by small normal angles, its polarization is mixed with right- and left-handedness and its propagation is bi-directional with regard to the background magnetic field. The short inter-spacecraft distances (as low as ~15 km) of the MMS mission make it possible to accurately determine the k vector of the waves using the phase difference technique. Preliminary analysis finds that the k vector magnitude, phase speed, and wavelength of the 0.3-Hz wave packet at 0453:55 UT are 0.005 km(exp -1), 372.9 km/s, and 1242.9 km, respectively.

Zhang, Jichun↗
DOE OSTI2021

From tensors to qubits

We discuss recent progress in Tensor Lattice Field Theory and economical, symmetry preserving, truncations suitable for quantum computations or simulations. We focus on spin and gauge models with continuous Abelian symmetries such as the Abelian Higgs model and emphasize noise-robust implementations of Gauss's law. We discuss recent progress concerning the comparison between field digitizations and character expansions, symmetry breaking in tensor language, wave-packet preparation and possible new implementations of Abelian models using Rydberg atoms.

Meurice, Yannick↗