Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics

Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important inputs towards the fabrication of the material required for molecular electronics.Comment: 21 pages, 6 figures, 13 table

The structure of dark matter halos in hierarchical clustering theories

During hierarchical clustering, smaller masses generally collapse earlier than larger masses and so are denser on the average. The core of a small mass halo could be dense enough to resist disruption and survive undigested, when it is incorporated into a bigger object. We explore the possibility that a nested sequence of undigested cores in the center of the halo, which have survived the hierarchical, inhomogeneous collapse to form larger and larger objects, determines the halo structure in the inner regions. For a flat universe with $P(k) \propto k^n$, scaling arguments then suggest that the core density profile is, $\rho \propto r^{-\alpha}$ with $\alpha = (9+3n)/(5+n)$. But whether such behaviour obtains depends on detailed dynamics. We first examine the dynamics using a fluid approach to the self-similar collapse solutions for the dark matter phase space density, including the effect of velocity dispersions. We highlight the importance of tangential velocity dispersions to obtain density profiles shallower than $1/r^2$ in the core regions. If tangential velocity dispersions in the core are constrained to be less than the radial dispersion, a cuspy core density profile shallower than 1/r cannot obtain, in self-similar collapse. We then briefly look at the profiles of the outer halos in low density cosmological models where the total halo mass is convergent. Finally, we analyze a suite of dark halo density and velocity dispersion profiles obtained in cosmological N-body simulations of models with n= 0, -1 and -2. We find that the core-density profiles of dark halos, show considerable scatter in their properties, but nevertheless do appear to reflect a memory of the initial power spectrum, with steeper initial spectra producing flatter core profiles. (Abridged)Comment: 31 pages, 7 figures, submitted to Ap

Cosmological Magnetic Fields from Primordial Helical Seeds

Most early Universe scenarios predict negligible magnetic fields on cosmological scales if they are unprocessed during subsequent expansion of the Universe. We present a new numerical treatment of the evolution of primordial fields and apply it to weakly helical seeds as they occur in certain early Universe scenarios. We find that initial helicities not much larger than the baryon to photon number can lead to fields of about 10^{-13} Gauss with coherence scales slightly below a kilo-parsec today.Comment: 4 revtex pages, 2 postscript figures include

Penetration depth of low-coherence enhanced backscattered light in sub-diffusion regime

The mechanisms of photon propagation in random media in the diffusive multiple scattering regime have been previously studied using diffusion approximation. However, similar understanding in the low-order (sub-diffusion) scattering regime is not complete due to difficulties in tracking photons that undergo very few scatterings events. Recent developments in low-coherence enhanced backscattering (LEBS) overcome these difficulties and enable probing photons that travel very short distances and undergo only a few scattering events. In LEBS, enhanced backscattering is observed under illumination with spatial coherence length L_sc less than the scattering mean free path l_s. In order to understand the mechanisms of photon propagation in LEBS in the subdiffusion regime, it is imperative to develop analytical and numerical models that describe the statistical properties of photon trajectories. Here we derive the probability distribution of penetration depth of LEBS photons and report Monte Carlo numerical simulations to support our analytical results. Our results demonstrate that, surprisingly, the transport of photons that undergo low-order scattering events has only weak dependence on the optical properties of the medium (l_s and anisotropy factor g) and strong dependence on the spatial coherence length of illumination, L_sc, relative to those in the diffusion regime. More importantly, these low order scattering photons typically penetrate less than l_s into the medium due to low spatial coherence length of illumination and their penetration depth is proportional to the one-third power of the coherence volume (i.e. [l_s \pi L_sc^2 ]^1/3).Comment: 32 pages(including 7 figures), modified version to appear in Phys. Rev.

What can we say about seed fields for galactic dynamos?

We demonstrate that a quasi-uniform cosmological seed field is a much less suitable seed for a galactic dynamo than has often been believed. The age of the Universe is insufficient for a conventional galactic dynamo to generate a contemporary galactic magnetic field starting from such a seed, accepting conventional estimates for physical quantities. We discuss modifications to the scenario for the evolution of galactic magnetic fields implied by this result. We also consider briefly the implications of a dynamo number that is significantly larger than that given by conventional estimates

Magnetic diffusivity tensor and dynamo effects in rotating and shearing turbulence

The turbulent magnetic diffusivity tensor is determined in the presence of rotation or shear. The question is addressed whether dynamo action from the shear-current effect can explain large-scale magnetic field generation found in simulations with shear. For this purpose a set of evolution equations for the response to imposed test fields is solved with turbulent and mean motions calculated from the momentum and continuity equations. The corresponding results for the electromotive force are used to calculate turbulent transport coefficients. The diagonal components of the turbulent magnetic diffusivity tensor are found to be very close together, but their values increase slightly with increasing shear and decrease with increasing rotation rate. In the presence of shear, the sign of the two off-diagonal components of the turbulent magnetic diffusion tensor is the same and opposite to the sign of the shear. This implies that dynamo action from the shear--current effect is impossible, except perhaps for high magnetic Reynolds numbers. However, even though there is no alpha effect on the average, the components of the alpha tensor display Gaussian fluctuations around zero. These fluctuations are strong enough to drive an incoherent alpha--shear dynamo. The incoherent shear--current effect, on the other hand, is found to be subdominant.Comment: 12 pages, 13 figures, improved version, accepted by Ap

Cosmic rays and Radio Halos in galaxy clusters : new constraints from radio observations

Clusters of galaxies are sites of acceleration of charged particles and sources of non-thermal radiation. We report on new constraints on the population of cosmic rays in the Intra Cluster Medium (ICM) obtained via radio observations of a fairly large sample of massive, X-ray luminous, galaxy clusters in the redshift interval 0.2--0.4. The bulk of the observed galaxy clusters does not show any hint of Mpc scale synchrotron radio emission at the cluster center (Radio Halo). We obtained solid upper limits to the diffuse radio emission and discuss their implications for the models for the origin of Radio Halos. Our measurements allow us to derive also a limit to the content of cosmic ray protons in the ICM. Assuming spectral indices of these protons delta =2.1-2.4 and microG level magnetic fields, as from Rotation Measures, these limits are one order of magnitude deeper than present EGRET upper limits, while they are less stringent for steeper spectra and lower magnetic fields.Comment: 14 pages, 5 figures, ApJ Letter, accepte

Magnetohydrodynamics in the Inflationary Universe

Magnetohydrodynamic (MHD) waves are analysed in the early Universe, in the inflationary era, assuming the Universe to be filled with a nonviscous fluid of the Zel'dovich type ($p=\rho$) in a metric of the de Sitter form. A spatially uniform, time dependent, magnetic field ${\bf B_0}$ is assumed to be present. The Einstein equations are first solved to give the time dependence of the scale factor, assuming that the matter density, but not the magnetic field, contribute as source terms. The various modes are thereafter analysed; they turn out to be essentially of the same kind as those encountered in conventional nongravitational MHD, although the longitudinal magnetosonic wave is not interpretable as a physical energy-transporting wave as the group velocity becomes superluminal. We determine the phase speed of the various modes; they turn out to be scale factor independent. The Alfv\'{e}n velocity of the transverse magnetohydrodynamic wave becomes extremely small in the inflationary era, showing that the wave is in practice 'frozen in'.Comment: 19 pages, LaTeX, no figures. Minor additions to the Summary section and Acknowledgments section. Two new references. Version to appear in Phys. Rev.