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At least 1,081 records · Page 60

Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-ordered diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic representations based solely on ab initio electronic structure data: The photodissociation of phenol

In this work, we demonstrate that for moderate sized systems, here a system with 13 atoms, global coupled potential energy surfaces defined for several electronic states over a wide energy range and for distinct regions of nuclear coordinate space characterized by distinct electron configurations, can be constructed with precise energetics and an excellent description of non-adiabatic interactions in all regions. This is accomplished using a recently reported algorithm for constructing quasi-diabatic representations, H{sup d}, of adiabatic electronic states coupled by conical intersections. In this work, the algorithm is used to construct an H{sup d} to describe the photodissociation of phenol from its first and second excited electronic states. The representation treats all 33 internal degrees of freedom in an even handed manner. The ab initio adiabatic electronic structure data used to construct the fit are obtained exclusively from multireference configuration interaction with single and double excitation wave functions comprised of 88 × 10{sup 6} configuration state functions, at geometries determined by quasi-classical trajectories. Since the algorithm uses energy gradients and derivative couplings in addition to electronic energies to construct H{sup d}, data at only 7379 nuclear configurations are required to construct a representation, which describes all nuclear configurations involved in H atom photodissociation to produce the phenoxyl radical in its ground or first excited electronic state, with a mean unsigned energy error of 202.9 cm{sup −1} for electronic energies <60 000 cm{sup −1}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental investigation of supersonic flow past double-wedge configurations

Viscous-inviscid interactions characteristic of those which occur when the fuselage-generated shock wave interacts with the wing-generated shock wave of a shuttle orbiter were studied experimentally. Surface-pressure measurements and schlieren photographs were obtained to define the flowfield generated when a Mach 4.97 stream encounters a double-wedge configuration. The deflection angles for the two wedge surfaces were such that the shock interaction pattern was either a Type-V pattern or a Type-VI pattern, as defined by Edney. The correlation between the present data and the theoretical solution for the Type-VI solution is satisfactory. The correlation between the measured Type-V shock-interaction pattern and the theoretical solution is satisfactory up to the interaction region. Downstream of the interaction the Type-V data depend primarily on the shape of the leading-edge shock wave.

Bertin, J. J.↗

Impurity screening behavior of the high-field side scrape-off layer in near-double-null configurations: prospect for mitigating plasma-material interactions on RF actuators and first-wall components

The impurity screening response of the high-field side (HFS) scrape-off layer (SOL) to localized nitrogen injection is investigated on Alcator C-Mod for magnetic equilibria spanning lower-single null, double-null and upper single null configurations under otherwise identical plasma conditions. L-mode, EDA H-mode and I-mode discharges are investigated. HFS impurity screening is found to depend on magnetic flux balance and the direction of B×?B relative to the most active divertor. Impurity ‘plume’ emission patterns indicate that both parallel and perpendicular (E×B) flows in the SOL contribute to the ‘flushing’ of impurities towards the active divertor, thereby affecting the overall impurity screening behavior. Despite the fact that the HFS scrape-off layer is extremely narrow in near-double-null configurations, this SOL is able to screen locally injected nitrogen at least as effectively as the low-field side (LFS) SOL – up to a factor of 10 more effective, depending on specific plasma conditions and whether the magnetic geometry produces parallel flows that work with or against E×B flows. For situations in which the E×B drift of the impurity ions opposes parallel flow toward the primary divertor, HFS impurity screening is found to be least effective. When E×B drifts assist parallel flow toward the primary divertor, HFS impurity screening is found to be very effective. These data support the idea of placing RF actuators and close-fitting wall components on the high-field side of the tokamak. With this configuration, near-double-null magnetic topologies may be used for active control of plasma parameters at the antenna/plasma interface for optimal RF coupling, mitigate the generation of local impurities from plasma-material interactions and, taking advantage of favorable plasma flows and good screening properties of the HFS SOL, further minimize the impact of wall-born impurity sources on the plasma core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multiconfiguration Dirac–Hartree–Fock energy levels, weighted oscillator strengths, transitions probabilities, lifetimes, hyperfine constants, Landé g-factors and isotope shifts of Xe LIII

Energy levels, weighted oscillator strengths and transition probabilities, lifetimes, hyperfine interaction constants, Landé g{sub J} factors and isotope shifts are calculated for all levels of 1s{sup 2} and 1snl (n=2−7) configurations of He-like xenon ion (Xe LIII). Multiconfigurational Dirac–Hartree–Fock (MCDHF) method is adopted for calculating these spectroscopic data. Comparisons are made with similar data obtained with FAC (Flexible Atomic Code) to assess the accuracy of the results. Transition probabilities are reported for all E1, E2, M1 and M2 transitions from the ground level. Breit interactions and quantum electrodynamics effects are estimated in extensive Relativistic Configuration Interaction (RCI) calculations. Comparisons were made with the available data in the literature and good agreement was found which confirms the reliability of our results. The accuracy of the present calculations is high enough to facilitate identification of many observed spectral lines. Almost all atomic data of He-like xenon ion presented in this paper are calculated for the first time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Navier-Stokes Simulation of the Canard-Wing-Body Longitudinal Dynamic Stability Characteristics

Many modern aircraft are canard-configured for aircraft control and improved aerodynamic performance. Canards can often enhance aircraft cruise performance, maneuverability and agility. For close-coupled canard configurations, the aerodynamic interaction between the canard and wing significantly changes the flow characteristics of the wing. In unsteady flow, such changes in the flow structure and performance of wings can be quite pronounced. Accurate modeling of the unsteady aerodynamics is essential for potential CFD design and analysis of such configurations. A time-accurate numerical simulation is performed to study the unsteady aerodynamic interaction between a canard and wing with emphasis on the effects of the canard on the configuration's dynamic response characteristics. The thin-layer Reynolds-averaged Navier-Stokes Equations with various turbulence models are used in this study. Computations are made on a generic, analytically-defined, close-coupled canard-wing-body configuration which has been the subject of numerous previously published experimental studies during the 1970's to mid-80's. More recently, a series of steady-flow simulations has been performed and published by the author. In the current study, the configuration is given prescribed ramp and oscillatory motions in order to predict characteristics such as the damping-in-pitch and oscillatory longitudinal stability parameters. The current computations are made at high-subsonic and transonic Mach numbers, moderate angles-of- attack from -4 to 20 degrees, and at various pitch rates and reduced frequencies. Comparisons of pressures and integrated force quantities (e.g. lift, drag, pitching moment and selected dynamic parameters) are made with other published computational results and available experimental data. Results showing the unsteady effects of the canard on surface pressures, integrated forces, canard-wing vortex interaction and vortex breakdown will be presented.

Tu, Eugene L.↗

Numerical simulation of the interaction of a vortex with stationary airfoil in transonic flow

A perturbation form of an implicit conservative, noniterative numerical algorithm for the two-dimensional thin layer Navier-Stokes and Euler equations is used to compute the interaction flow-field of a vortex with stationary airfoil. A Lamb-like analytical vortex having a finite core is chosen to interact with a thick (NACA 0012) and a thin (NACA 64A006) airfoil independently in transonic flow. Two different configurations of vortex interaction are studied, viz., (1) when the vortex is fixed at one location in the flowfield, and (2) when the vortex is convecting past the airfoil at freestream velocity. Parallel computations of this interacting flowfield are also done using a version of the Transonic Small Disturbance Code (ATRAN2). A special treatment of the leading edge region for thin airfoils is included in this code. With this, the three methods gave qualitatively similar results for the weaker interactions considered in this study. However, the strongest interactions considered proved to be beyond the capabilities of the small disturbance code. The results also show a far greater influence of the vortex on the airfoil flowfield when the vortex is stationary than when it is convecting with the flow.

Srinivasan, G. R.↗

Simulation of self-induced unsteady motion in the near wake of a Joukowski airfoil

The unsteady Navier-Stokes analysis is shown to be capable of analyzing the massively separated, persistently unsteady flow in the post-stall regime of a Joukowski airfoil for an angle of attack as high as 53 degrees. The analysis has provided the detailed flow structure, showing the complex vortex interaction for this configuration. The aerodynamic coefficients for lift, drag, and moment were calculated. So far only the spatial structure of the vortex interaction was computed. It is now important to potentially use the large-scale vortex interactions, an additional energy source, to improve the aerodynamic performance.

Ghia, K. N.↗

Jet-Pylon Interaction of High Bypass Ratio Separate Flow Nozzle Configurations

NASA Langley Research Center, Hampton, Virginia, 23681-0001 USA An experimental investigation was performed of the acoustic effects of jet-pylon interaction for separate flow and chevron nozzles of both bypass ratio five and eight. The models corresponded to an approximate scale factor of nine. Cycle conditions from approach to takeoff were tested at wind tunnel free jet Mach numbers of 0.1, 0.2 and 0.28. An eight-chevron core nozzle, a sixteen chevron fan nozzle, and a pylon were primary configuration variables. In addition, two orientations of the chevrons relative to each other and to the pylon were tested. The effect of the pylon on the azimuthal directivity was investigated for the baseline nozzles and the chevron nozzles. For the bypass ratio five configuration, the addition of the pylon reduces the noise by approximately 1 EPNdB compared to the baseline case and there is little effect of azimuthal angle. The core chevron produced a 1.8 EPNdB reduction compared to the baseline nozzle. Adding a pylon to the chevron core nozzle produces an effect that depends on the orientation of the chevron relative to the pylon. The azimuthal directivity variation remains low at less than 0.5 EPNdB. For the bypass ratio eight configuration the effect of adding a pylon to the baseline nozzle is to slightly increase the noise at higher cycle points and for the case with a core chevron the pylon has little additional effect. The azimuthal angle effect continues to be very small for the bypass ratio eight configurations. A general impact of the pylon was observed for both fan and core chevrons at both bypass ratios. The pylon reduces the typical low frequency benefit of the chevrons, even eliminating it in some cases, while not impacting the high frequency. On an equal ideal thrust basis, the bypass ratio eight baseline nozzle was about 5 EPNdB lower than the bypass ratio five baseline nozzle at the highest cycle condition, however, with a pylon installed the difference decreased to about 4 EPNdB.

Thomas, Russell H.↗

Solution of the Euler equations with viscous-inviscid interaction for high Reynolds number transonic flow past wing/body configurations

The theoretical and numerical bases of a program for the solution of the Euler equations with viscous-inviscid interaction for high Reynolds number transonic flow past wing/body configurations are explained. The emphasis is upon the logic behind the equation development. The program is fully detailed so that the user can quickly become familiar with its operation.

Koenig, Keith↗

Propeller slipstream wing interactions at Mach no. 0.8

Configuration and results of a wind tunnel test of the aerodynamic interactions between propeller slipstream and a supercritical wing at transonic Mach numbers are discussed. The test was conducted over a free-stream Mach number range from 0.7 to 0.84, with the slipstream simulator and the wing-body model installed in the tunnel. The angle of attack and the spanning lift coefficients were varied from 1 to 3 deg and from 0.4 to 0.7 deg respectively, while the slipstream swirl angle was varied from 0 to 11 deg with an upwash on the inboard side of the wing. It was found that at a free-stream Mach number of 0.8 and a lift coefficient of 0.5, incremental drag results for 7 deg of swirl and a slipstream Mach number of 0.87 indicated a penalty equivalent to a 0.024 loss in propeller efficiency, whereas at 11 deg the drag increment was favorable. Swirl had significant effects on the chordwise pressure distributions of the inboard section of the wing within the slipstream. Neither surface nor wake pressures showed signs of significant flow separation induced by the slipstream.

Bencze, D. P.↗

EIT in resonator chains: similarities and differences with atomic media

We theoretically study a parallel configuration of two interacting whispering gallery mode optical resonators and show a narrow-band modal structure as a basis for a widely tunable delay line. For the optimum coupling configuration the system can possess an unusually narrow spectral feature with a much narrower bandwidth than the loaded bandwidth of each individual resonator.

electromagnetically induced transparency↗

Optical Forces on an Oscillating Dipole Near VO2 Phase Transition

We investigate optical forces on oscillating dipoles close to a phase change vanadium dioxide (VO2) film, which exhibits a metal-insulator transition around 340 K and low thermal hysteresis. This configuration emulates the interaction between an illuminated nanosphere and an interface and we employ a classical description to capture its important aspects. We consider both electric and magnetic dipoles for two different configurations, namely with the dipole moments parallel and perpendicular to the VO2 film. By using Bruggeman theory to describe the effective optical response of the material, we show that the thermal hysteresis present in the VO2 transition clearly shows up in the behavior of optical forces. In the near-field regime, the force on both dipoles can change from attractive to repulsive just by heating (or cooling) the film for a selected frequency range. We also verified that the optical forces are comparable to the Casimir-Polder force in a similar system, revealing the possibility of modulating or even changing the sign of the resultant force on an illuminated nano-object due to the presence of a thermochromic material. We hope that this work contributes to set the grounds for alternative approaches to control light-matter interactions using phase-change materials.

36 MATERIALS SCIENCE↗

Range and strength of mechanical interactions of force dipoles in elastic fiber networks

Mechanical forces generated by myosin II molecular motors drive diverse cellular processes, most notably shape change, division and locomotion. These forces may be transmitted over long range through the cytoskeletal medium – a disordered, viscoelastic network of biopolymers. The resulting cell size scale force chains can in principle mediate mechanical interactions between distant actomyosin units, leading to self-organized structural order in the cell cytoskeleton. Inspired by such force transmission through elastic structures in the cytoskeleton, we consider a percolated fiber lattice network, where fibers are represented as linear elastic elements that can both bend and stretch, and the contractile activity of myosin motors is represented by force dipoles. Then, by using a variety of metrics, we show how two such contractile force dipoles interact with each other through their mutual mechanical deformations of the elastic fiber network. As a prelude to two-dipole interactions, we quantify how forces propagate through the network from a single anisotropic force dipole by analyzing clusters of nodes connected by highly strained bonds, as well as through the decay rate of strain energy with distance from a force dipole. We show that predominant fiber bending screens out force propagation, resulting in reduced and strongly network configuration-dependent dipole interactions. On the other hand, stretching-dominated networks support longer-ranged inter-dipole interactions that recapitulate the predictions of linear elasticity theory. By characterizing the differences between tensile and compressive force propagation in the fiber network, we show how inter-dipole interaction depends on the dipoles’ mutual separation and orientation. The resulting elastic interaction energy may mediate a force between multiple distant dipoles, leading to their self-organization into ordered configurations. In conclusion, this provides a potential pathway for active mechanical force-driven structural order in elastic biopolymer networks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Testing Installed Propulsion for Shielded Exhaust Configurations

Jet-surface interaction (JSI) can be a significant factor in the exhaust noise of installed propulsion systems. Tests to further the understanding and prediction of the acoustic impacts of JSI have been described. While there were many objectives for the test, the overall objective was to prepare for a future test validating the design of a low-noise, lowboom supersonic commercial airliner. In this paper we explore design requirements for a partial aircraft model to be used in subscale acoustic testing, especially focusing on the amount of aircraft body that must be included to produce the acoustic environment between propulsion exhaust system and observer. We document the dual-stream jets, both nozzle and flow conditions, which were tested to extend JSI acoustic modeling from simple singlestream jets to realistic dual-stream exhaust nozzles. Sample observations are provided of changes to far-field sound as surface geometry and flow conditions were varied. Initial measurements are presented for integrating the propulsion on the airframe for a supersonic airliner with simulated airframe geometries and nozzles. Acoustic impacts of installation were modest, resulting in variations of less than 3 EPNdB in most configurations.

engine airframe integration↗

Results of test MA22 in the NASA/LaRC 31-inch CFHT on an 0.010-scale model (32-0) of the space shuttle configuration 3 to determine RCS jet flow field interaction, volume 1

A wind tunnel test was conducted in the Langley Research Center 31-inch Continuous Flow Hypersonic Wind Tunnel from May 6, 1975 through June 3, 1975. The primary objectives of this test were the following: (1) to study the ability of the wind tunnel to repeat, on a run-to-run basis, data taken for identical configurations to determine if errors in repeatability could have a significant effect on jet interaction data, (2) to determine the effect of aerodynamic heating of the scale model on jet interaction, (3) to investigate the effects of elevon and body flap deflections on jet interaction, (4) to determine if the effects from jets fired separately along different axes can be added to equal the effects of the jets fired simultaneously (super position effects), (5) to study multiple jet effects, and (6) to investigate area ratio effects, i.e., the effect on jet interaction measurements of using wind tunnel nozzles with different area ratios in the same location. The model used in the test was a .010-scale model of the Space Shuttle Orbiter Configuration 3. The test was conducted at Mach 10.3 and a dynamic pressure of 150 psf. RCS chamber pressure was varied to simulate free flight dynamic pressures of 5, 7.5, 10, and 20 psf.

Kanipe, D. B.↗

Atomistic survey of grain boundary-dislocation interactions in FCC nickel

It is well known that grain boundaries (GBs) have a strong influence on mechanical properties of polycrystalline materials. Not as well-known is how different GBs interact with dislocations to influence dislocation movement. This work presents a molecular dynamics study of 33 different FCC Ni bicrystals, each subjected to four different loading conditions to induce incident dislocation-GB interactions in 132 unique configurations. The resulting simulations produce 189 dislocation-GB interactions. Each interaction is analyzed to determine properties that affect the likelihood of transmission, reflection, or absorption of the dislocation at the GB of interest. The results confirm the ability to predict the slip system of a transmitted dislocation using common geometric criteria. Furthermore, machine learning reveals that geometric properties, such as the minimum residual Burgers vector (RBV) and the disorientation angle between the two grains, are strong indicators of whether or not a dislocation will transmit through a GB.

36 MATERIALS SCIENCE↗

On-board multispectral classification study

The factors relating to onboard multispectral classification were investigated. The functions implemented in ground-based processing systems for current Earth observation sensors were reviewed. The Multispectral Scanner, Thematic Mapper, Return Beam Vidicon, and Heat Capacity Mapper were studied. The concept of classification was reviewed and extended from the ground-based image processing functions to an onboard system capable of multispectral classification. Eight different onboard configurations, each with varying amounts of ground-spacecraft interaction, were evaluated. Each configuration was evaluated in terms of turnaround time, onboard processing and storage requirements, geometric and classification accuracy, onboard complexity, and ancillary data required from the ground.

Ewalt, D.↗