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At least 55 records · Page 3

Benchmark full configuration-interaction calculations on H2O, F- and F

Full configuration-interaction calculations are reported, and compared to other methods, for H2O at its equilibrium geometry and at two geometries with the H-O bonds stretched. Since the percentage of the self-consistent field (SCF) reference in the full configuration-interaction (FCI) wave function decreases greatly with the bond elongation, the accuracy of techniques based on a single reference do not compare well with the FCI results. However, the results from a complete active space SCF/multireference configuration-interaction (CASSCF/MRCI) treatment are in good agreement with the FCI. Correlation effects in F compared to Ne are far more similar than for F- compared to Ne, despite F- and Ne being isoelectronic. Since the importance of higher than double excitations is more important for F- than F, a very high percentage of the correlation must be obtained to accurately compute the electron affinity. In a CASSCF/MRCI treatment the higher than quadruple excitations contribute 0.02 eV to the electron affinity (EA), even for modest basis sets.

Bauschlicher, C. W., Jr.↗

Benchmark full configuration-interaction calculations on H2O, F, and

Full configuration-interaction calculations are reported, and compared to other methods, for H2O at its equilibrium geometry and at two geometries with the H-O bonds stretched. Since the percentage of the self-consistent field (SCF) reference in the full configuration-interaction (FCI) wave function decreases greatly with the bond elongation, the accuracy of techniques based on a single reference do not compare well with the FCI results. However, the results from a complete active space SCF/multireference configuration-interaction (CASSCF/MRCI) treatment are in good agreement with the FCI. Correlation effects in F compared to Ne are far more similar than for Fcompared to Ne, despite F- and Ne being isoelectronic. Since the importance of higher than double excitations is more important for F- than F, a very high percentage of the correlation must be obtained to accurately compute the electron affinity. In a CASSCF/MRCI treatment the higher than quadruple excitations contribute 0.02 eV to the electron affinity (EA), even for modest basis sets.

Bauschlicher, C. W., Jr.↗

Personal computer study of finite-difference methods for the transonic small disturbance equation

Calculation of unsteady flow phenomena requires careful attention to the numerical treatment of the governing partial differential equations. The personal computer provides a convenient and useful tool for the development of meshes, algorithms, and boundary conditions needed to provide time accurate solution of these equations. The one-dimensional equation considered provides a suitable model for the study of wave propagation in the equations of transonic small disturbance potential flow. Numerical results for effects of mesh size, extent, and stretching, time step size, and choice of far-field boundary conditions are presented. Analysis of the discretized model problem supports these numerical results. Guidelines for suitable mesh and time step choices are given.

Bland, Samuel R.↗

Personal computer study of finite-difference methods for the transonic small disturbance equation

Calculation of unsteady flow phenomena requires careful attention to the numerical treatment to the governing partial differential equations. The personal computer provides a convenient and useful tool for the development of meshes, algorithms, and boundary conditions needed to provide time accurate solution of these equations. The one-dimensional equation considered provides a suitable model for the study of wave propagation in the equations of transonic small disturbance potential flow. Numerical results for effects of mesh size, extent, and stretching, time step size, and choice of far-field boundary conditions are presented. Analysis of the discretized model problem supports these numerical results. Guidelines for suitable mesh and time step choices are given.

Bland, Samuel R.↗

Jupiter's winds and Arnol'd's second stability theorem: Slowly moving waves and neutral stability

Since the Voyager encounters in 1979, it has been known that Jupiter's cloud-top zonal winds violate the barotropic stability criterion. A vortex-tube stretching analysis of the Voyager wind data indicates that the more general Charney-Stern stability criterion is also violated. On the other hand, the zonal winds determined by tracking cloud features in Hubble Space Telescope images taken in 1991 precisely match the zonal winds determined by tracking cloud features in Voyager images, and it is hard to understand how a complicated zonal wind profile like Jupiter's could be unstable and yet not change at all in 12 years. In fact, there are at least two unknown ways to violate the Charney-Stern stability criterion and still have a stable flow. The better known of these is called Fjortoft's theorem, or Arnol'd's 1st theorem for the case of large-amplitude perturbations. Although the Fjortoft-Arnol'd theorem has been extended from the quasi-geostrophic equations to the primitive equations, the basic requirement that the potential vorticity be an increasing function of streamfunction is opposite to the case found in Jupiter, where the Voyager data indicate that the potential vorticity is a decreasing function of streamfunction. But this second case is precisely that which is covered by Arnol'd's 2nd stability theorem. In fact, the Voyager data suggest that Jupiter's zonal winds are neutrally stable with respect to Arnol'd's 2nd stability theorem. Here, we analyze the linear stability problem of a one-parameter family of sinusoidal zonal wind profiles that are close to neutral stability with respect to Arnol'd's 2nd stability theorem. We find numerically that the most unstable mode is always stationary, which may help to explain the slowly moving mode 10 waves observed on Jupiter. We find that violation of Arnol'd's 2nd stability theorem is both necessary and sufficient for instability of sinusoidal profiles. However, there appears to be no simple extension of Arnol'd's 2nd stability theorem to the primitive equations. Nevertheless, the primitive growth rates are small, and the primitive system is still governed by the quasi-geostrophic neutral-stability configuration.

Stamp, Andrew P.↗

A compact solution to computational acoustics

This paper demonstrates that the linearized, dimensional Euler equations for acoustic computation can be accurately solved as a set of decoupled first-order wave equations, and that if ordered properly, this system of simple waves has unambiguous, easily implemented boundary conditions, allowing waves of same group speeds to pass through numerical boundaries or comply with wall conditions. Thus, the task of designing a complex multi-dimensional scheme with approximate far-field boundary conditions reduces to the design of higher order schemes for the one-dimensional simple wave equation. A compact finite-difference scheme and a characteristically exact but numerically n(th) order accurate boundary condition are introduced for solving the first order wave equation. Spanning a three-point two-level stencil, this low-dispersion implicit scheme has a third order spatial accuracy when used on nonuniform meshes, fourth order accurate on uniform meshes, and a temporal accuracy of second order due to the choice of trapezoidal integration for algorithmic simplicity. The robustness and accuracy of the scheme are demonstrated through a series of numerical experiments and comparisons with published results. When tested on the one-dimensional wave equation on a uniform grid, this scheme allows a Gaussian wave packet to pass through any finite domain with low numerical dispersion characteristic of a spatially fourth-order scheme and reflections at numerical boundaries maintained below truncation error. On highly stretched and irregular grids, only mild dispersions are found in the solution while solutions by other methods fail or are severely distorted. Yet, this scheme is no more sophisticated to solve or implement than the Crank-Nicolson scheme. This scheme has been tested on four categories of the ICASE/LaRC benchmark problems, which include propagation of acoustic and convective waves in Cartesian and cylindrical domains, reflection of acoustic wave at stationary/moving boundaries, and sound generation by gust-blade interaction.

Fung, K.-Y.↗

Dendritic sidebranching in the three-dimensional symmetric model in the presence of noise

The time-dependent behavior of sidebranching deformations in the three-dimensional symmetric model of dendritic solidification is studied within a WKB approximation. Localized wave packets generated by pulses in the neighborhood of the tip are found to grow in amplitude and to spread and stretch as they move down the sides of the dendrite. This behavior is shown to imply that noise in the solidifying medium is selectively amplified in such a way as to produce a fluctuating train of sidebranches in qualitative agreement with experimental observations. A rough estimate indicates that purely thermal noise is probably not quite strong enough to fit the data.

Langer, J. S.↗

Structure of magnetic field in the solar wind

This work is concerned with empirical data on magnetic field in the solar wind in frame of a concept of dissipative solar wind, developed in papers (Solar Wind 7 Conf., Pergamon Press, 1992, 165 and 1992 STEP/5th COSPAR Coll. Pergamon Press, 1994, 117; 235; 803). Interplanetary magnetic fields should be classified with respect to their origin. It is very important for all the theoretical problems from the necessity to specify correctly boundary and initial conditions: the magnetic field must be sewed with its source. One should select the field, connected directly with the Sun (stretched out from it), and the field of moving electric currents. It occured central in discussion about the velocity of Alfven waves, probably warming up the solar wind, relative to the Sun, the magnetic field and solar wind plasma. The selection problem corresponds to an inverse problem and obviously has no single solution. The dissipative model of the solar wind introduce the slipping and leakage of plasma relative to magnetic field. There are no 'interplanetary current sheets' in it. But temporal fluctuations from the filamentation of electric currents play the key role. As a whole, the new concept requires the re-interpretation of main objects in the interplanetary magnetic field.

Chertkov, A. D.↗

Numerical simulation and analysis of a prefrontal squall line. I - Observations and basic simulation results. II - Propagation of the squall line as an internal gravity wave

Results of an observational and numerical study of the squall line that occurred on June 17-18, 1978, are presented. This squall line was initially triggered by the strong surface convergence along a cold front and stretched from Illinois to the Texas Panhandle. The squall line was aligned with the surface front during its initial development, but then propagated faster than the front, resulting in a separation of approximately 200 km by 0300 UTC and 300-400 km by 0600 UTC. The Colorado State University Regional Atmospheric Modeling System is used to model the squall-line development and propagation. Results are described from several experiments that tested the sensitivity to the use of the Kuo-type cumulus parameterization scheme and grid-scale microphysical processes. The movement of the squall line in the model is shown to be due to the propagation of a deep tropospheric internal gravity wave in a CISK-like process. The thermal and dynamic perturbations associated with the hypothesized wave are shown to be consistent with internal gravity wave theory.

Cram, Jennifer M.↗

Advanced application flight experiment breadboard pulse compression radar altimeter program

Design, development and performance of the pulse compression radar altimeter is described. The high resolution breadboard system is designed to operate from an aircraft at 10 Kft above the ocean and to accurately measure altitude, sea wave height and sea reflectivity. The minicomputer controlled Ku band system provides six basic variables and an extensive digital recording capability for experimentation purposes. Signal bandwidths of 360 MHz are obtained using a reflective array compression line. Stretch processing is used to achieve 1000:1 pulse compression. The system range command LSB is 0.62 ns or 9.25 cm. A second order altitude tracker, aided by accelerometer inputs is implemented in the system software. During flight tests the system demonstrated an altitude resolution capability of 2.1 cm and sea wave height estimation accuracy of 10%. The altitude measurement performance exceeds that of the Skylab and GEOS-C predecessors by approximately an order of magnitude.

Source record↗

Test problems for inviscid transonic flow

The paper discusses some results obtained in the solving of test problems for inviscid transonic flow with shock waves using the TRANDES program. The method used employs the full inviscid perturbation-potential flow equation in a Cartesian grid system that is stretched to infinity. The equation is represented by a nonconservative system of finite-difference equations that includes at supersonic points a rotated difference scheme and is solved by column relaxation. Except for the NACA 0012 case with the freestream Mach number equal to 0.95, all test problems were solved straightforwardly and appeared to be converged or close to convergence. The only difficulty was some sensitivity to grid placement, which is typical of the Cartesian formulation

Carlson, L. A.↗

Models of the Cartwheel ring galaxy: Spokes and starbursts

Recent observations of this famous ring galaxy, including optical and near-infrared CCD surface photometry, and VLA radio continuum and 21 cm line mapping (Higdon 1992b, in prep.), have inspired a renewed modeling effort. Toomre's (1978, in The Large-scale Structure of the Universe, eds. Longair and Einasto) series of restricted three-body simulations demonstrated how the multiple rings could be produced in a nearly head-on galaxy collision. New models with a halo-dominated potential based on the 21 cm rotation curve are able to reproduce such details as the spacing between rings, ring widths, offset of the nucleus, and several kinematical features, thus providing strong support for the collisional theory. The new observations have shown there are little or no old stars in Cartwheel; it may consist almost entirely of gas and stars produced as a result of compression in the ring wave. To model this process Smooth Particle Hydrodynamics (SPH) simulations of the Cartwheel disk have been performed. Fixed gravitational potentials were used to represent the Cartwheel and a roughly 30 percent mass collision partner. The interaction dynamics was treated as in the usual restricted three-body approximation, and the effects of local self-gravity between disk particles were calculated. We are particularly interested in testing the theory that enhanced star formation in waves is the result of gravitational instability in the compressed region (see e.g. Kennicutt 1989, ApJ 344, 685). The gas surface density in a number of simulations was initialized to a value slightly below the threshold for local gravitational instability throughout most of the disk. The first ring wave produces relatively modest compressions (a factor of order a few), triggering instability in a narrow range of wavelengths. Self-gravity in the disk is calculated over a comparable range of scales. Simulations were run with isothermal, adiabatic, and adiabatic with radiative cooling characterized by a relatively short timescale. The isothermal approximation is good except in the vicinity of the strong second (inner) ring, and several snapshots from one case are shown in the figure below. Flocculent spiral segments are present before the collision, and these are compressed into dense knots in the ring wave. These knots are likely to be sites of vigorous star formation. In the strong rarefaction behind the outer ring most of the knots are radially stretched and sheared, giving rise to spoke-like features. A few dense knots are evidently very tightly bound, because they retain their coherence and are stretched relatively little through the rarefaction. This is in accord with evidence for continuing star formation in some spokes (Marcum, Appleton and Higdon 1992). The number and spacing of spokes is a direct function of the scale of the gravitational instability in the disk. Thus, the gravitational instability theory, together with the hypothesis that massive stars are only formed in dense knots of gas, can account for most of the distinct morphology of the Cartwheel.

Struck-Marcell, Curtis↗

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

Five different central difference schemes, based on a conservative differencing form of the Kennedy and Gruber skew-symmetric scheme, were compared with six different upwind schemes based on primitive variable reconstruction and the Roe flux. These eleven schemes were tested on a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem and a turbulent channel flow problem. The central schemes were generally very accurate and stable, provided the grid stretching rate was kept below 10%. As near-DNS grid resolutions, the results were comparable to reference DNS calculations. At coarser grid resolutions, the need for an LES SGS model became apparent. There was a noticeable improvement moving from CD-2 to CD-4, and higher-order schemes appear to yield clear benefits on coarser grids. The UB-7 and CU-5 upwind schemes also performed very well at near-DNS grid resolutions. The UB-5 upwind scheme does not do as well, but does appear to be suitable for well-resolved DNS. The UF-2 and UB-3 upwind schemes, which have significant dissipation over a wide spectral range, appear to be poorly suited for DNS or LES.

Morris, Chris↗

Simulations of gravity waves in frontal zones

Recent observations of frontal systems passing over the PROFS network in Colorado by Shapiro (1984) indicate the horizontal scale of some fronts can be on the order of a few kilometers or less. Motivated by Shapiros results, esearchers re-ran an earlier numerical simulation of frontogenesis by Williams (1972) (where a very simple stretching deformation forcing of a front is considered) using as high a resolution in both the vertical and horizontal as was possible. Highest resolution that we considered consisted of a grid with a vertical spacing of 32 meters and a horizontal spacing of 260 meters in the immediate vicinity of the surface front. The purpose was to examine development of the frontal structures as the scale of the front became very small. Two sources for banded structures in clouds were found: (1) in the stationary waves above the front and (2) in waves propagating upward from breaking waves under the front.

Gall, R.↗

Voltage-Controlled Differential Faraday Rotation from FMNWs and Magnetoelastic Silicone-Nickel Composites

Differential Faraday rotation has been observed from strain-Differential Faraday rotation has been observed from strain-modulated magnetoelastic membranes using millimeter-wave polarimetry at 61.25 GHz. The membranes, consisting of aligned chains of nickel micro-particles embedded in silicone rubber, were manufactured using a roll-to-roll electromagnetic processing line, mounted onto piezoelectric ceramic annuli, and immersed in externally-generated static magnetic fields. Experiments were conducted in which the membranes were periodically stretched by operating the piezoelectric crystals close to their radial resonant frequencies—thereby modulating nickel particle density as well as magnetic material properties. A customized quasi-optical apparatus was used to determine the Faraday-rotation difference between the strained and unstrained states of the magnetoelastic membranes. Possible applications that could emerge from this polymer-based technology include nonreciprocal millimeter-wave components with voltage-controlled frequency response and bio-inspired geomagnetic sensors for GPS-denied navigation. Investigations were conducted to estimate the maximum attainable differential Faraday rotation and the minimum detectable static magnetic field.

nickel↗

Assessing Climate Change Impacts on the Stability of Small Tidal Inlets: Part 2- Data Rich Environments

Climate change (CC) is likely to affect the thousands of bar-built or barrier estuaries (here referred to as Small tidal inlets - STIs) around the world. Any such CC impacts on the stability of STIs, which governs the dynamics of STIs as well as that of the inlet-adjacent coastline, can result in significant socio-economic consequences due to the heavy human utilisation of these systems and their surrounds. This article demonstrates the application of a process based snap-shot modelling approach, using the coastal morphodynamic model Delft3D, to 3 case study sites representing the 3 main STI types; Permanently open, locationally stable inlets (Type 1), Permanently open, alongshore migrating inlets (Type 2) and Seasonally/Intermittently open, locationally stable inlets (Type 3). The 3 case study sites (Negombo lagoon - Type 1, Kalutara lagoon - Type 2, and Maha Oya river - Type 3) are all located along the southwest coast of Sri Lanka. After successful hydrodynamic and morphodynamic model validation at the 3 case study sites, CC impact assessment are undertaken for a high end greenhouse gas emission scenario. Future CC modified wave and riverflow conditions are derived from a regional scale application of spectral wave models (WaveWatch III and SWAN) and catchment scale applications of a hydrologic model (CLSM) respectively, both of which are forced with IPCC Global Climate Model output dynamically downscaled to approximately 50 km resolution over the study area with the stretched grid Conformal Cubic Atmospheric Model CCAM. Results show that while all 3 case study STIs will experience significant CC driven variations in their level of stability, none of them will change Type by the year 2100. Specifically, the level of stability of the Type 1 inlet will decrease from 'Good' to 'Fair to poor' by 2100, while the level of (locational) stability of the Type 2 inlet will also decrease with a doubling of the annual migration distance. Conversely, the stability of the Type 3 inlet will increase, with the time till inlet closure increasing by approximately 75%. The main contributor to the overall CC effect on the stability of all 3 STIs is CC driven variations in wave conditions and resulting changes in longshore sediment transport, not Sea level rise as commonly believed.

IPC↗

Influence of Spanwise Boundary Conditions on Slat Noise Simulations

The slat noise from the 30P/30N high-lift system is being investigated through computational fluid dynamics simulations with the OVERFLOW code in conjunction with a Ffowcs Williams-Hawkings acoustics solver. In the present study, two different spanwise grids are being used to investigate the effect of the spanwise extent and periodicity on the near-field unsteady structures and radiated noise. The baseline grid with periodic boundary conditions has a short span equal to 1/9th of the stowed chord, whereas the other, longer span grid adds stretched grids on both sides of the core, baseline grid to allow inviscid surface boundary conditions at both ends. The results indicate that the near-field mean statistics obtained using the two grids are similar to each other, as are the directivity and spectral shapes of the radiated noise. However, periodicity forces all acoustic waves with less than one wavelength across the span to be two-dimensional, without any variation in the span. The spanwise coherence of the acoustic waves is what is needed to make estimates of the noise that would be radiated from realistic span lengths. Simulations with periodic conditions need spans of at least six slat chords to allow spanwise variation in the low-frequencies associated with the peak of broadband slat noise. Even then, the full influence of the periodicity is unclear, so employing grids with a fine, central region and highly stretched meshes that go to slip walls may be a more efficient means of capturing the spanwise decorrelation of low-frequency acoustic phenomena.

Lockard, David P.↗

Analysis of sound propagation in ducts using the wave envelope concept

A finite difference formulation is presented for sound propagation in a rectangular two-dimensional duct without steady flow for plane wave input. Before the difference equations are formulated, the governing Helmholtz equation is first transformed to a form whose solution does not oscillate along the length of the duct. This transformation reduces the required number of grid points by an order of magnitude, and the number of grid points becomes independent of the sound frequency. Physically, the transformed pressure represents the amplitude of the conventional sound wave. Example solutions are presented for sound propagation in a one-dimensional straight hard-wall duct and in a two-dimensional straight soft-wall duct without steady flow. The numerical solutions show evidence of the existence along the duct wall of a developing acoustic pressure diffusion boundary layer which is similar in nature to the conventional viscous flow boundary layer. In order to better illustrate this concept, the wave equation and boundary conditions are written such that the frequency no longer appears explicitly in them. The frequency effects in duct propagation can be visualized solely as an expansion and stretching of the suppressor duct.

Baumeister, K. J.↗