Imaging delocalized electron clouds: photoionization of C(60) in Fourier reciprocal space

The dynamics of the photoionization of the two outermost orbitals of C(60) has been studied in the oscillatory regime from threshold to the carbon K edge. We show that geometrical properties of the fullerene electronic hull, such as its diameter and thickness, are contained in the partial photoionization cross sections by examining ratios of partial cross sections as a function of the photon wave number in the Fourier conjugated space. Evaluated in this unconventional manner photoemission data reveal directly the desired spatial information.     

Unitary group decomposition of hamiltonian operators. II. SU (4) irreducible tensors,norms and their energy variation and symmetry breaking

SU(6) ? SU(4) tensor decomposition of effective interactions in the 2s-1d shell has been carried out to examine the relative importance of the various irreducible tensors in many-particle spaces. For this purpose norms of the irreducible tensors are evaluated in many-particle spaces. Variation of the expectation value of the square of the irreducible tensor parts with excitation energy has also been examined using the polynomial expansion method. A new measure of symmetry breaking that is theoretically more sound is derived which includes in its definition partial width as well as internal width. This is used to study SU(4) symmetry mixing in nuclei.     

Optical signatures of spin-orbit interaction effects in a parabolic quantum dot

We demonstrate here that the dipole-allowed optical absorption spectrum of a parabolic quantum dot subjected to an external magnetic field reflects the interelectron interaction effects when the spin-orbit (SO) interaction is also taken into account. We have investigated the energy spectra and the dipole-allowed transition energies for up to four interacting electrons parabolically confined, and have uncovered several novel effects in those spectra that are solely due to the SO interaction.     

Highly efficient epoxidation method of olefins with hydrogen peroxide as terminal oxidant, bicarbonate as a co-catalyst and oxodiperoxo molybdenum(VI) complex as catalyst

A combination of the newly synthesized and structurally characterized compound, [MoO(O2)2(saloxH)](saloxH2= salicylaldoxime) as catalyst, H2O2 as terminal oxidant and NaHCO3 as co-catalyst when stirred in CH3CN (10 cm3) at room temperature (rt) shows a very pronounced efficiency epoxidation of olefinic compounds, the method being green and economical.     

Laser-induced forward transfer technique for maskless patterning of amorphous V2O5 thin film

A laser-induced forward transfer technique has been applied for the maskless patterning of amorphous V₂O₅ thin films. A sheet beam of a frequency doubled (SHG) Q-switched Nd:YAG laser was irradiated on a transparent glass substrate (donor), the rear surface of which was pre-coated with a vacuum-deposited V₂O₅ 180 nm thick film was either in direct contact with a second glass substrate (receiver) or a 0.14 mm air-gap was maintained between the donor film and the receiving substrate. Clear, regular stripe pattern of the laser-induced transferred film was obtained on the receiver. The pattern was characterized using X-ray diffraction (XRD), optical absorption spectroscopy, scanning electron microscopy (SEM), energy dispersive analysis of X-ray (EDAX), atomic force microscopy (AFM), etc.     

L-shell/subshell ionization of Au,Pb and Bi by low energy proton impact

Proton induced X-ray emission has been used to measureL-subshell and total ionization cross-sections of Au, Pb and Bi in the energy range of 200–350 keV. The ionization cross-sections have been extracted using the X-ray spectra and other quantities like fluorescence yields, transition probabilities, relative widths and Coster-Krönig fraction etc. involved in the process. The results have been compared with the cross-sections measured before and discussed in the light of known theories regarding the ion-atom collisions.     

Direct Numerical Simulation of Head-On Quenching of Statistically Planar Turbulent Premixed Methane-Air Flames Using a Detailed Chemical Mechanism

A three-dimensional compressible Direct Numerical Simulation (DNS) analysis has been carried out for head-on quenching of a statistically planar stoichiometric methane-air flame by an isothermal inert wall. A multi-step chemical mechanism for methane-air combustion is used for the purpose of detailed chemistry DNS. For head-on quenching of stoichiometric methane-air flames, the mass fractions of major reactant species such as methane and oxygen tend to vanish at the wall during flame quenching. The absence of \(\text {OH}\) at the wall gives rise to accumulation of carbon monoxide during flame quenching because \(\text {CO}\) cannot be oxidised anymore. Furthermore, it has been found that low-temperature reactions give rise to accumulation of \(\text {HO}_{2}\) and \(\mathrm {H}_{2}\mathrm {O}_{2}\) at the wall during flame quenching. Moreover, these low temperature reactions are responsible for non-zero heat release rate at the wall during flame-wall interaction. In order to perform an in-depth comparison between simple and detailed chemistry DNS results, a corresponding simulation has been carried out for the same turbulence parameters for a representative single-step Arrhenius type irreversible chemical mechanism. In the corresponding simple chemistry simulation, heat release rate vanishes once the flame reaches a threshold distance from the wall. The distributions of reaction progress variable c and non-dimensional temperature T are found to be identical to each other away from the wall for the simple chemistry simulation but this equality does not hold during head-on quenching. The inequality between c (defined based on \(\text {CH}_{4}\) mass fraction) and T holds both away from and close to the wall for the detailed chemistry simulation but it becomes particularly prominent in the near-wall region. The temporal evolutions of wall heat flux and wall Peclet number (i.e. normalised wall-normal distance of \(T = 0.9\) isosurface) for both simple and detailed chemistry laminar and turbulent cases have been found to be qualitatively similar. However, small differences have been observed in the numerical values of the maximum normalised wall heat flux magnitude \(\left ({\Phi }_{\max } \right )_{\mathrm {L}}\) and the minimum Peclet number \((Pe_{\min })_{\mathrm {L}}\) obtained from simple and detailed chemistry based laminar head-on quenching calculations. Detailed explanations have been provided for the observed differences in behaviours of \(\left ({\Phi }_{\max }\right )_{\mathrm {L}}\) and \((Pe_{\min })_{\mathrm {L}}\). The usual Flame Surface Density (FSD) and scalar dissipation rate (SDR) based reaction rate closures do not adequately predict the mean reaction rate of reaction progress variable in the near-wall region for both simple and detailed chemistry simulations. It has been found that recently proposed FSD and SDR based reaction rate closures based on a-priori DNS analysis of simple chemistry data perform satisfactorily also for the detailed chemistry case both away from and close to the wall without any adjustment to the model parameters.