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At least 1,297 records · Page 72

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering

Proton-transfer processes build the foundation of many chemical processes. In Excited State Intramolecular Proton Transfer (ESIPT) processes the proton transfer process is impulsively started through light. Here, in this study, we explore the changes in coupled atomic and electronic motions during and following ESIPT through computational time-resolved Resonant Inelastic X-ray Scattering (trRIXS). Excited-state Ab Initio Molecular Dynamics (AIMD) simulations combined with Time-Dependent Density Functional Theory (TDDFT) calculations were performed for 10-hydroxybenzo[h]quinoline to obtain trRIXS signatures. RIXS at both the nitrogen and oxygen K-edges were computed to resolve the dynamics electronic structure from both the proton donor and acceptor perspective. The results show how RIXS can reveal the local electronic structure, the coupling between different electronic states and how electronic structure and coupling change during the proton transfer process. Additionally, we observe a strong correlation between spectral changes and structural changes during ESIPT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An evaluation of the effects of stacking sequence and thickness on the fatigue life of quasi-isotropic graphite/epoxy laminates

Notched and unnotched geometries at 16, 32, and 64-ply thicknesses of a 90/45/0-45 (ns) laminate and a 45/0/-45/90 (ns) laminate were tested in compression-compression fatigue. The fatigue life and the initiation, type, and progression of damage were determined. Interlaminar stresses generated at straight, free edges of axially loaded laminates were used to interpret the test results. The fatigue lives of the notched specimens did not appear to be a strong function of laminate stacking sequence or specimen thickness. The stress concentration at the hole dominated over the interlaminar stresses at the straight free edge. The unnotched specimens of the 90/45/0/-45 (ns) laminate with tensile interlaminar normal stresses delaminated more readily than did the 45/0/-45/90 (ns) laminate with compressive interlaminar normal stress. The life of the 16-ply unnotched specimens was lower than the 32- and 64-ply specimens. Delaminations were located at the interface where the maximum shear stress occurred regardless of the sense or magnitude of the interlaminar normal stress. An antibuckling fixture was effective in preventing out-of-plane motion without overconstraining the specimen.

Harris, C. E.↗

Computing high-speed flows past an oscillating cylinder near a vertical wall

A computational method to simulate unsteady flows involving moving rigid boundaries and interference has been developed. The method is used to solve inviscid equations governing the fluid flow and the dynamic equations governing the motion of rigid bodies. A second-order accurate, upwind-biased, and alterating-direction-implicit method is used to solve the governing equations of the flow. A kinematic domain decomposition (KDD) procedure is extended to treat 3D problems with a high degree of accuracy and generality. The method under consideration is applied to both transonic and supertransonic flows. Both cases involve flow past a cylinder which is forced to pitch sinusoidally near a vertical wall. Benefits of the proposed approach include accurate calculation of the flow around 3D moving multiple bodies with interference; reduction of a numerical error; in particular, the dispersion error which strongly affects wave propagation; and minimization of the phase error which is accumulated according to the time advance procedure.

Yen, Guan-Wei↗

Relativistic flying laser focus by a laser-produced parabolic plasma mirror

Here, the question of electromagnetic field intensification towards the values typical for strong field quantum electrodynamics is of fundamental importance. One of the most promising intensification schemes is based on the relativistic-flying mirror concept, which shows that the electromagnetic radiation reflected by the mirror will be frequency upshifted by a factor of 4γ 2 (γ is the Lorentz factor of the mirror). In laser-plasma interactions, such a mirror travels with relativistic velocities through plasma and typically has a parabolic form, which is advantageous for light intensification. Thus, a relativistic-flying parabolic mirror reflects the counterpropagating radiation in the form of a focused and flying electromagnetic wave with a high frequency. The relativistic-flying motion of the laser focus makes the electric and magnetic field distributions of the focus complicated, and the mathematical expressions describing the field distributions of the focus become of fundamental interest. We present analytical expressions describing the field distribution formed by an ideal flying mirror which has a perfect reflectance over the entire surface and wavelength range. The peak field strength of an incident laser pulse with a center wavelength of λ 0 and an effective beam radius of w e is enhanced by a factor proportional to γ 3 (w e /λ 0 ) in the relativistic limit. Electron-positron pair production is investigated in the context of invariant fields based on the enhanced electromagnetic field. The pair production rate under the relativistic-flying laser focus is modified by the Lorentz γ-factor and the beam radius-wavelength ratio (w e /λ 0 ). We show that the electron-positron pairs can be created by colliding two counterpropagating relativistic-flying laser focuses in vacuum, each of which is formed when a 180 TW laser pulse is reflected by a relativistic-flying parabolic mirror with γ=12.2.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Solar cycle variations in the size and shape of the magnetopause

The 10 years of the ISEE 1 and 2 mission covering much of solar cycle 21 and the beginning of solar cycle 22 make it possible to study the position, shape, and motion of the magnetopause throughout the course of changing solar activity. The size and shape of the magnetopause were determined for each observing season using the ISEE 1 and 2 magnetometer data IMP 8 data were used to monitor the solar wind changes with the solar cycle. During the 1979-1980 season, at solar maximum, the solar wind dynamic pressure was at its lowest values, and, at solar minimum, the solar wind pressure was at its largest values, more than double the value in the 1979-1980 season. During this solar cycle, the magnetopause was about 0.5 R(E) farther when the interplanetary magnetic field (IMF) was strongly northward, than when strongly southward. Both standoff distance values are fround to be smaller than the value found by Fairfield (1971). The standoff distance of the magnetopause for northward IMF is anticorrelated with the solar wind pressure. However, the standoff distance for southward IMF seems relatively insensitive to solar wind dynamic pressure.

Petrinec, S. P.↗

Role of the Quasi-Biennial Oscillation in the Transport of Aerosols from the Tropical Stratospheric Reservoir to Midlatitudes

The temporal evolution of the stratospheric aerosol distribution in the tropical stratospheric reservoir after the eruption of Mount Pinatubo was observed from 1992 to 1995 by the HALOE instrument on the UARS satellite. Since the spatial gradient of aerosol loading is large at the boundaries of the tropical stratospheric reservoir due to the volcanic aerosols, the effect of the meridional circulation on the distribution is seen clearly. The mechanism for dispersal of aerosol in the lower stratosphere from the tropics into midlatitudes strongly depends on the phase of the equatorial zonal wind. The time-latitude cross sections of the normalized distribution of aerosol on isentropic surfaces are used to observe the equatorial variation as well as change in meridional dispersal during the quasi-biennial period. Observed tropical stratospheric winds are used with a simple analytical dynamical model to examine transport processes of tracers from the tropics during several phases of the quasi-biennial oscillation (QBO) from 1992 to 1995. The Lagrangian meridional circulation in the tropics is consistent with the vertical and meridional velocities correlated with the QBO in the zonal wind. We find that vertical motion plays a crucial role in vertical and subsequent meridional transport. The pattern of meridional divergence derived from the vertical velocity is closely related to the observed HALOE aerosol distributions and their temporal development in the equatorial region. The westerly (easterly) shear phase of the QBO is associated with sinking (rising) motions at the equator and subsequent poleward (equatorward) transport in the lower stratosphere.

Choi, Wookap↗

Improving our Understanding of Atlantic Tropical Cyclones through Knowledge of the Saharan Air Layer: Hope or Hype?

The existence of the Saharan air layer (SAL), a layer of warm, dry, dusty air that frequently moves westward off of the Saharan desert of Africa and over the tropical Atlantic Ocean, has long been appreciated. As air moves over the desert, it is strongly heated from below, producing a very hot air mass at low levels. Because there is no moisture source over the Sahara, the rise in temperature causes a sharp drop in relative humidity, thus drying the air. In addition, the warm air produces a very strong jet of easterly flow in the middle troposphere called the African easterly jet that is thought to play a critical role in hurricane formation. In recent years, there has been an increased focus on the impact that the SAL has on the formation and evolution of hurricanes in the Atlantic. However, the nature of its impact remains unclear, with some researchers arguing that the SAL amplifies hurricane development and with others arguing that it inhibits it. The argument for positively influencing hurricane development is based upon the fact that the African easterly jet produces the waves that eventually form hurricanes and that it leads to rising motion south of the jet that favors the development of deep thunderstorm clouds. The potential negative impacts of the SAL include 1) low-level vertical wind shear associated with the African easterly jet; 2) warm SAL air aloft, which increases thermodynamic stability and suppresses cloud development; and 3) dry air, which produces cold downdrafts in precipitating regions, thereby removing energy needed for storm development. As part of this recent focus on the SAL and hurricanes (which motivated a 2006 NASA field experiment), there has been little emphasis on the SAL s potential positive influences and almost complete emphasis on its possible negative influences, almost to the point of claims that the SAL is the major suppressing influence on hurricanes in the Atlantic. Multiple NASA satellite data sets (TRMM, MODIS, and AIRS/AMSU) and National Centers for Environmental Prediction global analyses are used to characterize the SAL s properties and evolution in relation to developing hurricanes. The results show that storms generally form on the southern side of the jet, where favorable background rotation is high. The jet often helps to form the northern side of the storms and rarely moves over their inner cores, so jet-induced vertical wind shear does not appear to be a negative influence on developing storms. Warm SAL air is confined to regions north of the jet and generally does not impact the tropical cyclone precipitation south of the jet. Of the three proposed negative influences, dry air appears to be the key influence; however, the presence of dry SAL air is not a good indicator of whether a storm will weaken since many examples of intensifying storms surrounded by such dry air can be found. In addition, a global view of relative humidity shows moisture distributions in other ocean basins that are almost identical to the Atlantic. The dry zones correspond to regions of descending air on the eastern and equatorward sides of semi-permanent oceanic high pressure systems. Thus, the dry air over the Atlantic appears to be primarily a product of the large-scale flow, but with enhanced drying at low levels associated with the Sahara. As a result, we conclude that the SAL is not a major negative influence on hurricanes. It is just one of many possible influences and can be both positive and negative.

Braun, Scott A.↗

Bare Conductive Tether for Decelerating a Spacecraft

A document describes a prototype of electrically conductive tethers to be used primarily to decelerate spacecraft and/or generate electric power for the spacecraft. Like prior such tethers, this tether is designed so that when it is deployed from a spacecraft in orbit, its motion across the terrestrial magnetic field induces an electric current. The Lorentz force on the current decelerates the spacecraft. Optionally, the current can be exploited to convert some orbital kinetic energy to electric energy for spacecraft systems. Whereas the conductive portions of prior such tethers are covered with electrical insulation except for end electrodes that make contact with the ionosphere, this tether includes a conductive portion that is insulated along part of its length but deliberately left bare along a substantial remaining portion of its length to make contact with the ionosphere. The conductive portions of the tether are made of coated thin aluminum wires wrapped around strong, lightweight aromatic polyamide braids. The main advantages of the present partly-bare-tether design over the prior all-insulated-tether design include greater resistance to degradation by the impact of monatomic oxygen at orbital altitude and speed and greater efficiency in collecting electrons from the ionosphere.

Johnson, Les↗

Vortex shedding from a blunt trailing edge with equal and unequal external mean velocities

A flow-visualization study has shown that strong Karman vortices develop behind the blunt trailing edge of a plate when the free-stream velocities over both surfaces are equal and that the vortices tend to disappear when the surface velocities are unequal. This observation provides an explanation for the occurence and disappearance of certain discrete tones often found to be present in the noise spectra of coaxial jets. Both the vortex formation and the tones occur at a Strouhal number based on the lip thickness and the average of the external steady-state velocities of about 0.2. Results from theoretical calculations of the vortex formation, based on an inviscid incompressible analysis of the motion of point vortices, were in good agreement with the experimental observations.

Boldman, D. R.↗

Diagnostics of vector magnetic fields

It is shown that the vector magnetic fields derived from observations with a filter magnetograph will be severely distorted if the spatially unresolved magnetic structure is not properly accounted for. Thus the apparent vector field will appear much more horizontal than it really is, but this distortion is strongly dependent on the area factor and the temperature line weakenings. As the available fluxtube models are not sufficiently well determined, it is not possible to correct the filter magnetograph observations for these effects in a reliable way, although a crude correction is of course much better than no correction at all. The solution to this diagnostic problem is to observe simultaneously in suitable combinations of spectral lines, and/or use Stokes line profiles recorded with very high spectral resolution. The diagnostic power of using a Fourier transform spectrometer for polarimetry is shown and some results from I and V spectra are illustrated. The line asymmetries caused by mass motions inside the fluxtubes adds an extra complication to the diagnostic problem, in particular as there are indications that the motions are nonstationary in nature. The temperature structure appears to be a function of fluxtube diameter, as a clear difference between plage and network fluxtubes was revealed. The divergence of the magnetic field with height plays an essential role in the explanation of the Stokes V asymmetries (in combination with the mass motions). A self consistent treatment of the subarcsec field geometry may be required to allow an accurate derivation of the spatially averaged vector magnetic field from spectrally resolved data.

Stenflo, J. O.↗

Co-Seismic Mass Displacement and its Effect on Earth's Rotation and Gravity

Mantle processes often involve large-scale mass transport, ranging from mantle convection, tectonic motions, glacial isostatic adjustment, to tides, atmospheric and oceanic loadings, volcanism and seismicity. On very short time scale of less than an hour, co-seismic event, apart from the "shaking" that is the earthquake, leaves behind permanent (step-function-like) displacements in the crust and mantle. This redistribution of mass changes the Earth's inertia tensor (and hence Earth's rotation in both length-of-day and polar motion), and the gravity field. The question is whether these effects are large enough to be of any significance. In this paper we report updated calculation results based on Chao & Gross. The calculation uses the normal mode summation scheme, applied to over twenty thousand major earthquakes that occurred during 1976-2002, according to source mechanism solutions given by the Harvard Centroid Moment Tensor catalog. Compared to the truly large ones earlier in the century, the earthquakes we study are individually all too small to have left any discernible signature in geodetic records of Earth rotation or global gravity field. However, their collective effects continue to exhibit an extremely strong statistical tendencies, conspiring to decrease J2 and J22 while shortening LOD, resulting in a rounder and more compact Earth. Strong tendency is also seen in the earthquakes trying to "nudge" the Earth rotation pole towards approx. 140 deg.E, roughly opposite to the observed polar drift direction. Currently, the Gravity Recovery And Climate Experiment (GRACE) is measuring the time-variable gravity to high degree and order with unprecedented accuracy. Our results show that great earthquakes such as the 1960 Chilean or 1964 Alaskan events cause gravitational field changes that are large enough to be detected by GRACE.

Chao, B. F.↗

Translocation of a Polymer Chain across a Nanopore: A Brownian Dynamics Simulation Study

We carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient). The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient across the wall), we focused on the latter case in our studies. Calculation of radius of gyrations at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tubelike pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied, attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Tian, Pu↗

Vibration mitigation using an inerter-based isolation system

Extreme dynamic environments can result in the failure of structures and equipment. To mitigate these effects, isolation systems can be used. In recent years, inerters have been studied as a part of different structural control methods. The inerter is attractive for many structural control methods because it can produce large mass effects despite having a small physical mass through the transformation of translational motion to the rotational motion of a flywheel. While inerters have been considered in structural control, experimental studies of isolation systems featuring inerters has been limited. This project seeks to study the ability of the addition of an inerter to improve the dynamic performance of isolation systems when considering a random vibration environment. The results of this study demonstrate that the inerter can have a large impact on the dynamic properties of an isolated system, including shifting the isolation mode frequency lower while reducing its amplitude. High frequency noise did result from the inclusion of the inerter but may not be of significant concern depending on the frequency range of interest. The strong performance of the inerter in a simplified isolation system observed during this work motivates future studies of inerters in isolation systems.

S.S. Abolghasemi↗

Simulation studies of alternate longitudinal control systems for the space shuttle orbiter in the landing regime

Simulations of the space shuttle orbiter in the landing task were conducted by the NASA Ames-Dryden Flight Research Facility using the Ames Research Center vertical motion simulator (VMS) and the total in-flight simulator (TIFS) variable-stability aircraft. Several new control systems designed to improve the orbiter longitudinal response characteristics were investigated. These systems improved the flightpath response by increasing the amount of pitch-rate overshoot. Reduction in the overall time delay was also investigated. During these evaluations, different preferences were noted for the baseline or the new systems depending on the pilot background. The trained astronauts were quite proficient with the baseline system and found the new systems to be less desirable than the baseline. On the other hand, the pilots without extensive flight training with the orbiter had a strong preference for the new systems. This paper presents the results of the VMS and TIFS simulations. A hypothesis is presented regarding the control strategies of the two pilot groups and how this influenced their control systems preferences. Interpretations of these control strategies are made in terms of open-loop aircraft response characteristics as well as pilot-vehicle closed-loop characteristics.

Powers, B. G.↗

Simulation studies of alternate longitudinal control systems for the Space Shuttle Orbiter in the landing regime

Simulations of the Space Shuttle Orbiter in the landing task were conducted by the NASA Ames-Dryden Flight Research Facility using the Ames Research center vertical motion simulation (VMS) and the total in-flight simulator (TIFS) variable-stability aircraft. Several new control systems designed to improve the orbiter longitudinal response characteristics were investigated. These systems improved the flightpath response by increasing the amount of pitch-rate overshoot. Reduction in the overall time delay was also investigated. During these evaluations, different preferences were noted for the baseline or the new systems depending on the pilot background. The trained astronauts were quite proficient with the baseline system and found the new systems to be less desirable than the baseline. On the other hand, the pilots without extensive flight training with the Orbiter had a strong preference for the new systems. This paper presents the results of the VMS and TIFS simulations. A hypothesis is presented regarding the control strategies of the two pilot groups and how this influenced their control system preferences. Interpretations of these control strategies are made in terms of open-loop aircraft response characteristics as well as pilot-vehicle closed-loop characteristics.

Powers, B. G.↗

Sharply curved turn around duct flow predictions using spectral partitioning of the turbulent kinetic energy and a pressure modified wall law

Computational predictions of turbulent flow in sharply curved 180 degree turn around ducts are presented. The CNS2D computer code is used to solve the equations of motion for two-dimensional incompressible flows transformed to a nonorthogonal body-fitted coordinate system. This procedure incorporates the pressure velocity correction algorithm SIMPLE-C to iteratively solve a discretized form of the transformed equations. A multiple scale turbulence model based on simplified spectral partitioning is employed to obtain closure. Flow field predictions utilizing the multiple scale model are compared to features predicted by the traditional single scale k-epsilon model. Tuning parameter sensitivities of the multiple scale model applied to turn around duct flows are also determined. In addition, a wall function approach based on a wall law suitable for incompressible turbulent boundary layers under strong adverse pressure gradients is tested. Turn around duct flow characteristics utilizing this modified wall law are presented and compared to results based on a standard wall treatment.

Santi, L. Michael↗

Cometary activity, discrete outgassing areas, and dust-jet formation

Conceptual models for various types of features observed in cometary comae (jets, spirals, halos, fans, etc.), their computer simulation, and the hydrodynamic models for jet formation are critically reviewed, and evidence for anisotropic, strongly collimated flows of ejecta emanating from discrete active regions (vents) on the rotating cometary nuclei is presented. Techniques employed to generate synthetic comet images that simulate the features observed are described, and their relevance to the primary objects of coma-morphology studies is discussed. Modeling of temporal variations in the water emission from discrete active regions suggests that production curves asymmetric with respect to perihelion should be commonplace. Critical comparisons with the activity profiles of Enke's comet and with light curves of disappearing comets and comets that undergo outbursts are presented. Recent developments in the understanding of the processes that cause the nongravitational perturbations of cometary motions are reviewed, and the observed discontinuities are identified with the birth of new sources and/or deactivation of old vents.

Sekanina, Z.↗

[Using Molecular Simulations to Understand Complex Nanoscale Dynamic Phenomena in Polymer Solutions]

The first half of the project concentrated on molecular simulation studies of the translocation of model molecules for single-stranded DNA through a nanosized pore. This has resulted in the publication, Translocation of a polymer chain across a nanopore: A Brownian dynamics simulation study, by Pu Tian and Grant D. Smith, JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 21 1 DECEMBER 2003, which is attached to this report. In this work we carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient) designed to mimic an electrostatic field. The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient). We focused on the latter case in our studies. Calculation of radius of gyration of the translocating chain at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tube-like pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied. Attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Smith, Grant↗