Electron-impact excitation of CrII: A theoretical calculation of effective collision strengths for optically allowed transitions.

In this paper, we present electron-impact excitation collision strengths and Maxwellian averaged effective collision strengths for the complicated iron-peak ion Cr II. We consider specifically the allowed lines for transitions from the 3d(5) and 3d(4)4s even parity configuration states to the 3d(4)4p odd parity configuration levels. The parallel suite of R-Matrix packages, RMATRX II, which have recently been extended to allow for the inclusion of relativistic effects, were used to compute the collision cross sections. A total of 108 LS pi/280 J pi levels from the basis configurations 3d(5), 3d(4)4s, and 3d(4)4p were included in the wavefunction representation of the target including all doublet, quartet, and sextet terms. Configuration interaction and correlation effects were carefully considered by the inclusion of seven more configurations and a pseudo-corrector (4d) over bar type orbital. The 10 configurations incorporated into the Cr II model thus listed are 3d(5), 3d(4)4s, 3d(4)4p, 3d(3)4s(2), 3d(3)4p(2), 3d(3)4s4p, 3d(4)(4d) over bar, 3d(3)4s (4d) over bar, 3d(3)4p (4d) over bar, and 3d(3)(4d) over bar (2), constituting the largest Cr II target model considered to date in a scattering calculation. The Maxwellian averaged effective collision strengths are computed for a wide range of electron temperatures 2000-100,000 K which are astrophysically significant. Care has been taken to ensure that the partial wave contributions to the collision strengths for these allowed lines have converged with "top-up" from the Burgess-Tully sum rule incorporated. Comparisons are made with the results of Bautista et al. and significant differences are found for some of the optically allowed lines considered.

PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave

The expansion of an initially unmagnetized planar rarefaction wave has recently been shown to trigger a thermal anisotropy-driven Weibel instability (TAWI), which can generate magnetic fields from noise levels. It is examined here whether the TAWI can also grow in a curved rarefaction wave. The expansion of an initially unmagnetized circular plasma cloud, which consists of protons and hot electrons, into a vacuum is modelled for this purpose with a two-dimensional particle-in-cell (PIC) simulation. It is shown that the momentum transfer from the electrons to the radially accelerating protons can indeed trigger a TAWI. Radial current channels form and the aperiodic growth of a magnetowave is observed, which has a magnetic field that is oriented orthogonal to the simulation plane. The induced electric field implies that the electron density gradient is no longer parallel to the electric field. Evidence is presented here that this electric field modification triggers a environments, which are needed to explain the electromagnetic emissions by astrophysical jets. It is outlined how this instability could be examined experimentally.second magnetic instability, which results in a rotational low-frequency magnetowave. The relevance of the TAWI is discussed for the growth of small-scale magnetic fields in astrophysical

Rates of E1, E2, M1, and M2 transitions in Ni II

Aims. We present rates for all E1, E2, M1, and M2 transitions among the 295 fine-structure levels of the configurations 3d⁹, 3d⁸4s, 3d⁷4s², 3d⁸4p, and 3d⁷4s4p, determined through an extensive configuration interaction calculation. 

Methods. The CIV3 code developed by Hibbert and coworkers is used to determine for these levels configuration interaction wave functions with relativistic effects introduced through the Breit-Pauli approximation. 

Results. Two different sets of calculations have been undertaken with different 3d and 4d functions to ascertain the effect of such variation. The main body of the text includes a representative selection of data, chosen so that key points can be discussed. Some analysis to assess the accuracy of the present data has been undertaken, including comparison with earlier calculations and the more limited range of experimental determinations. The full set of transition data is given in the supplementary material as it is very extensive. 

Conclusions. We believe that the present transition data are the best currently available.

Monte Carlo studies of phase transitions and adsorption : application to n-6 Lennard-Jones, C60 and zeolite systems

The solid-fluid transition properties of the n - 6 Lennard-Jones system are studied by means of extensive free energy calculations. Different values of the parameter n which regulates the steepness of the short-range repulsive interaction are investigated. Furthermore, the free energies of the n < 12 systems are calculated using the n = 12 system as a reference. The method relies on a generalization of the multiple histogram method that combines independent canonical ensemble simulations performed with different Hamiltonians and computes the free energy difference between them. The phase behavior of the fullerene C60 solid is studied by performing NPT simulations using atomistic models which treat each carbon in the molecule as a separate interaction site with additional bond charges. In particular, the transition from an orientationally frozen phase at low temperatures to one where the molecules are freely rotating at higher temperatures is studied as a function of applied pressure. The adsorption of molecular hydrogen in the zeolite NaA is investigated by means of grand-canonical Monte Carlo, in a wide range of temperatures and imposed gas pressures, and results are compared with available experimental data. A potential model is used that comprises three main interactions: van der Waals, Coulomb and induced polarization by the permanent electric field in the zeolite.

Vector flow mapping using plane wave ultrasound imaging

Les diagnostics cliniques des maladies cardio-vasculaires sont principalement effectués à l’aide d’échographies Doppler-couleur malgré ses restrictions : mesures de vélocité dépendantes de l’angle ainsi qu’une fréquence d’images plus faible à cause de focalisation traditionnelle. Deux études, utilisant des approches différentes, adressent ces restrictions en utilisant l’imagerie à onde-plane, post-traitée avec des méthodes de délai et sommation et d’autocorrélation. L’objectif de la présente étude est de ré-implémenté ces méthodes pour analyser certains paramètres qui affecte la précision des estimations de la vélocité du flux sanguin en utilisant le Doppler vectoriel 2D. À l’aide d’expériences in vitro sur des flux paraboliques stationnaires effectuées avec un système Verasonics, l’impact de quatre paramètres sur la précision de la cartographie a été évalué : le nombre d’inclinaisons par orientation, la longueur d’ensemble pour les images à orientation unique, le nombre de cycles par pulsation, ainsi que l’angle de l’orientation pour différents flux. Les valeurs optimales sont de 7 inclinaisons par orientation, une orientation de ±15° avec 6 cycles par pulsation. La précision de la reconstruction est comparable à l’échographie Doppler conventionnelle, tout en ayant une fréquence d’image 10 à 20 fois supérieure, permettant une meilleure caractérisation des transitions rapides qui requiert une résolution temporelle élevée.

Femtosecond time-resolved wave packet motion in molecular multiphoton ionization and fragmentation

The dynamics of molecular multiphoton ionization and fragmentation of a diatomic molecule (Na_2) have been studied in molecular beam experiments. Femtosecond laser pulses from an amplified colliding-pulse mode-locked (CPM) ring dye laser are employed to induce and probe the molecular transitions. The final continuum states are analyzed by photoelectron spectroscopy, by ion mass spectrometry and by measuring the kinetic energy of the formed ionic fragments. Pump-probe spectra employing 70-fs laser pulses have been measured to study the time dependence of molecular multiphoton ionization and fragmentation. The oscillatory structure of the transient spectra showing the dynamics on the femtosecond time scale can best be understood in terms of the motion of wave packets in bound molecular potentials. The transient Na_2^+ ionization and the transient Na^+ fragmentation spectra show that contributions from direct photoionization of a singly excited electronic state and from excitation and autoionization of a bound doubly excited molecular state determine the time evolution of molecular multiphoton ionization.

Sudden stratospheric warmings as noise-induced transitions

Sudden stratospheric warmings (SSWs) are usually considered to be initiated by planetary wave activity. Here it is asked whether small-scale variability (e.g., related to gravity waves) can lead to SSWs given a certain amount of planetary wave activity that is by itself not sufficient to cause a SSW. A highly vertically truncated version of the Holton–Mass model of stratospheric wave–mean flow interaction, recently proposed by Ruzmaikin et al., is extended to include stochastic forcing. In the deterministic setting, this low-order model exhibits multiple stable equilibria corresponding to the undisturbed vortex and SSW state, respectively. Momentum forcing due to quasi-random gravity wave activity is introduced as an additive noise term in the zonal momentum equation. Two distinct approaches are pursued to study the stochastic system. First, the system, initialized at the undisturbed state, is numerically integrated many times to derive statistics of first passage times of the system undergoing a transition to the SSW state. Second, the Fokker–Planck equation corresponding to the stochastic system is solved numerically to derive the stationary probability density function of the system. Both approaches show that even small to moderate strengths of the stochastic gravity wave forcing can be sufficient to cause a SSW for cases for which the deterministic system would not have predicted a SSW.

Stochastic resonance in a nonlinear model of a rotating, stratified shear flow, with a simple stochastic inertia-gravity wave parameterization

We report on a numerical study of the impact of short, fast inertia-gravity waves on the large-scale, slowly-evolving flow with which they co-exist. A nonlinear quasi-geostrophic numerical model of a stratified shear flow is used to simulate, at reasonably high resolution, the evolution of a large-scale mode which grows due to baroclinic instability and equilibrates at finite amplitude. Ageostrophic inertia-gravity modes are filtered out of the model by construction, but their effects on the balanced flow are incorporated using a simple stochastic parameterization of the potential vorticity anomalies which they induce. The model simulates a rotating, two-layer annulus laboratory experiment, in which we recently observed systematic inertia-gravity wave generation by an evolving, large-scale flow. We find that the impact of the small-amplitude stochastic contribution to the potential vorticity tendency, on the model balanced flow, is generally small, as expected. In certain circumstances, however, the parameterized fast waves can exert a dominant influence. In a flow which is baroclinically-unstable to a range of zonal wavenumbers, and in which there is a close match between the growth rates of the multiple modes, the stochastic waves can strongly affect wavenumber selection. This is illustrated by a flow in which the parameterized fast modes dramatically re-partition the probability-density function for equilibrated large-scale zonal wavenumber. In a second case study, the stochastic perturbations are shown to force spontaneous wavenumber transitions in the large-scale flow, which do not occur in their absence. These phenomena are due to a stochastic resonance effect. They add to the evidence that deterministic parameterizations in general circulation models, of subgrid-scale processes such as gravity wave drag, cannot always adequately capture the full details of the nonlinear interaction.

Selection rules for rovibronic transitions in symmetric top molecules

A simple diagrammatic rule is presented for determining the rotational selection rules governing transitions between any pair of vibronic states in electric dipole spectra of symmetric top molecules. The rule is useful in cases where degenerate vibronic levels with first-order Coriolis splittings occur, because it gives immediately the selection rule for the (+l) and (-l) components in any degenerate state. The rule is also helpful in determining the symmetry species and the effective zeta constants in overtone and combination levels involving degenerate vibrations. Particular attention is devoted to the conventions concerning the signs of zeta constants.

Raman selection rules for vibration-rotation transitions in symmetric top molecules

Symmetry restrictions on Raman selection rules can be obtained, quite generally, by considering a Raman allowed transition as the result of two successive dipole allowed transitions, and imposing the usual symmetry restrictions on the dipole transitions. This leads to the same results as the more familiar polarizability theory, but the vibration-rotation selection rules are easier to obtain by this argument. The selection rules for symmetric top molecules involving the (+l) and (-l) components of a degenerate vibrational level with first-order Coriolis splitting are derived in this paper. It is shown that these selection rules depend on the order of the highest-fold symmetry axis Cn, being different for molecules with n=3, n=4, or n ≧ 5; moreover the selection rules are different again for molecules belonging to the point groups Dnd with n even, and Sm with 1/2m even, for which the highest-fold symmetry axes Cn and Sm are related by m=2n. Finally it is shown that an apparent anomaly between the observed Raman and infra-red vibration-rotation spectra of the allene molecule is resolved when the correct selection rules are used, and a value for the A rotational constant of allene is derived without making use of the zeta sum rule.

The physics of orographic gravity wave drag

The drag and momentum fluxes produced by gravity waves generated in flow over orography are reviewed, focusing on adiabatic conditions without phase transitions or radiation effects, and steady mean incoming flow. The orographic gravity wave drag is first introduced in its simplest possible form, for inviscid, linearized, non-rotating flow with the Boussinesq and hydrostatic approximations, and constant wind and static stability. Subsequently, the contributions made by previous authors (primarily using theory and numerical simulations) to elucidate how the drag is affected by additional physical processes are surveyed. These include the effect of orography anisotropy, vertical wind shear, total and partial critical levels, vertical wave reflection and resonance, non-hydrostatic effects and trapped lee waves, rotation and nonlinearity. Frictional and boundary layer effects are also briefly mentioned. A better understanding of all of these aspects is important for guiding the improvement of drag parametrization schemes.

Field-dependent conductivity at low electric fields in pressed pellets of doped poly (3-methylthiophene): evidence of charge-density wave depinning

Field-dependent conductivity at low electric fields was observed from low to room temperature in pressed pellets of doped poly(3-methylthiophene). The room temperature data showed good agreement with Bardeen's theory of charge-density wave depinning and the values of the parameters obtained are consistent with a strong electron-phonon interaction as expected for quasi-one dimensional systems. (C) 2003 Elsevier B.V. Ltd. All rights reserved.

Metal-insulator transitions in pressed pellets of BF4 - doped poly(3-methylthiophene)

From Electron Spin Resonance (ESR) data in pressed pellets of BF4 - doped Poly(3-methylthiophene) (P3MT) we obtained simultaneously the paramagnetic susceptibility and. the microwave conductivity. We observed a transition from a high-temperature insulator state to a room-temperature metallic state. Around 240K. evidence of a Peierls transition is observed, but if the sample is slowly cooled, this transition is partially suppressed. DC conductivity data taken with the sample quenched to 79 K show a non-linear I-V response for very small electric fields, suggesting depinning of Charge-Density Wave (CDW). The data for heating and cooling the system above room temperature, indicate the formation of bipolarons.

Narrow-band search of continuous gravitational-wave signals from Crab and Vela pulsars in Virgo VSR4 data

In this paper we present the results of a coherent narrow-band search for continuous gravitational-wave signals from the Crab and Vela pulsars conducted on Virgo VSR4 data. In order to take into account a possible small mismatch between the gravitational-wave frequency and two times the star rotation frequency, inferred from measurement of the electromagnetic pulse rate, a range of 0.02 Hz around two times the star rotational frequency has been searched for both the pulsars. No evidence for a signal has been found and 95% confidence level upper limits have been computed assuming both that polarization parameters are completely unknown and that they are known with some uncertainty, as derived from x-ray observations of the pulsar wind torii. For Vela the upper limits are comparable to the spin-down limit, computed assuming that all the observed spin-down is due to the emission of gravitational waves. For Crab the upper limits are about a factor of 2 below the spin-down limit, and represent a significant improvement with respect to past analysis. This is the first time the spin-down limit is significantly overcome in a narrow-band search.

Vibrational and rotational spectroscopy of (CD3OD)-C-13

We have used Fourier Transform spectral data on the C-O stretching mode of (CD3OD)-C-13 in order to perform a vibro-rotational analysis for this molecule. We have estimated a few molecular parameters of the ground and C-O stretching vibrational modes. Based on these parameters, and by using the Kwan-Dennison model, we propose assignments for a number of far-infrared laser transitions of (CD3OD)-C-13.