Theoretical study of the stereodynamics of the He＋HD^＋ reaction

This paper investigates the stereodynamics of the reaction He+HD+ by the quasi-classical trajectory(QCT) method using the most accurate AQUILANTI surface [Aquilanti et al 2000 Mol.Phys.98 1835].The distribution P(φr) of dihedral angle and the distribution P(θr) of angle between k and j have been presented at three different collision energies.Four generalized polarization-dependent differential cross-sections(2π/σ)(dσ00/dωt),(2π/σ)(dσ20/dωt),(2π/σ)(dσ22+/dωt),(2π/σ)(dσ21 /dωt) are also calculated.Some interesting results are obtained from the comparison of the stereodynamics of the title reaction at different collision energies.     

Stereodynamics of the reactions Ne＋H＋/Ne＋D2＋/Ne＋W2

The vector correlations between products and reagents for the reactions Ne＋H2＋, Ne＋D2＋, and Ne＋T2＋ are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lfi et al, [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections （27π/σ）（dσ00/dωt）, （2π/σ）（dσ20/dwt）, （27π/σ）（dσ22＋/dwt）, and （2π/σ）（dσ21-/dwt）, and the distributions of P（θr）, P（φ）, and P（θr, Cr） are calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.     

Chiral Lagrangian Treatment of 0^＋＋ Mesons and 0^＋＋ Glueballs

Within the framework of a nonlinear chiral Lagrangian the mass spectra and the decay properties of 0^＋＋ states below 2 GeV are studied. Assuming that f0（980）, a0（980）, K0（1430）, and f0（1500） comprise an SU（3） nonet, we make a detailed prediction about the static properties of the 0^＋＋ mesons. The substructure analysis of these states in terms of two- and four-quark components as well as a glueball component is carried out. We also consider the interaction Lagrangian and provide a preliminary study of the strong and radiative decays of the 0＋＋ mesons. The scalar glueball masses and partial widths are also presented. In view of the fact that few data of 0＋＋ mesons are clearly given in the present PDG （Particle Data Group） list and that the four-quark content of mesons is a hot issue both experimentally and theoretically, the predicted results of the paper may be helpful for upcoming experimental and theoretical studies of these mesons.     

Theoretical simulations of emission spectra of Fe^7＋ and Fe^＋8

The energy levels, oscillator strengths, spontaneous radiative decay rates, and electron impact collision strengths are calculated for Fe VIII and Fe IX using the recently developed flexible atomic code （FAC）. These atomic data are used to analyse the emission spectra of both laboratory and astrophysical plasmas. The nf-3d emission lines have been simulated for Fe VIII and Fe IX in a wavelength range of 6-14 nm. For Fe VIII, the predicted relative intensities of lines are insensitive to temperature. For Fe IX, however, the intensity ratios are very sensitive to temperature, implying that the information of temperature in the experiment can be inferred. Detailed line analyses have also been carried out in a wavelength range of 60-80 nm for Fe VIII, where the solar ultraviolet measurements of emitted radiation spectrometer records a large number of spectra. More lines can be identified with the aid of present atomic data. A complete dataset is available electronically from http：//www.astrnomy.csdb.cn/EIE/.     

Enhancement of upconversion luminescence of YAlO3：Er^3＋ by Gd^3＋ doping

Two series of Yb3+-doped silica glasses (YA and YAP) are fabricated using the sol-gel method, and their spectroscopic properties are investigated. The longest fluorescence lifetime of 0.96 ms is obtained in YAP2 and YAP3 glasses. The emission cross-section (σemi) and σemi ×τ of Yb3+ in the YAP1 glass are 1.00 pm2 and 0.94 pm2·ms, respectively. Co-doping with Al and P decreases the hydroxyl group content in the glasses because of the reduction in non-bridging oxygen content. The lowest OH content in the YAP3 glass is 9.6 ppm.     

Stereodynamics of the He ＋ D2^＋ → HeD^＋ ＋ D Reaction on the PALMIERI Surface

Using the quasi-classical trajectory method, the product rotational polarization of the ion-molecule reaction He^＋D2^＋ has been calculated at different collision energies on the PALMIERI potential energy surface [Palmieri et al. Mol. Phys. 98 （2000） 1835]. The distribution angle between k and j′, P（Or）, the distribution of the dihedral angle P（Фr）, and the angular distribution of product rotational vectors in the form of polar plots in θr and Фr are calculated. In addition, four polarization-dependent differential cross sections are also presented in the center-of-mass frame, respectively. The results indicate that the rotational polarization of the product HeD^＋ presents different characters for different collision energies. These discrepancies may be ascribed to the different collision energies and constructions of the potential energy surface.     

Effects of Li＋ on photoluminescence of Sr3SiOs： Sm3＋ red phosphor

The structure and photoluminescence （PL） properties of Sr3 SiO5： Sm3＋ and Li＋-doped Sr3SiOs： Sm3＋ red-emitting phosphors were investigated. Samples were prepared by the high-temperature solid-state method. PL spectra show that the concentration quenching occurs when the Sm3＋ concentration is beyond 1.3 mol% in Sr3SiOs： Sm3＋ phosphor without doping Li＋ ions. The concentration-quenching mechanism can be explained by the electric dipole-dipole interaction of Sm3＋ ions. The incorporation of Li＋ ions into Sr3SiOs： Sm3＋ phosphors, as a charge compensator, improves the PL properties. The lithium ions also suppress the concentration quenching in Sm3＋ with concentration increased from 1.3 tool% to 1.7 tool%.     

Theoretical calculation of of B-like ions： photoionization cross sections N^2＋, O^3＋ and F^4＋

There can be found some notable discrepancies with regard to the resonance structures when R-matrix calculations from the Opacity Project and other sources are compared with recent absolute experimental measurements of Bizau et al [Astron.Astrophts.439 387(2005)] for B-like ions N2+,O3+ and F4+.We performed close-coupling calculations based on the R-matrix formalism for the photoionizations of ions mentioned above both for the ground states and first excited states in the near threshold regions.The present results are compared with experimental ones given by Bizau et al and earlier theoretical ones.Excellent agreement is obtained between our theoretical results and the experimental photoionization cross sections.The present calculations show a significant improvement over the previous theoretical results.     

Effects of Yb^3＋ in Er^3＋/Yb^3＋ Codoped Fluorophosphate Glasses

For the Er^3＋ /Yb^3＋ codoped fluorophosphate glasses, Judd-Ofelt theory is used to analyse the influence of YbF3 as not a sensitizer but an average component on the spectroscopic properties around 1530nm emission. The double roles of Yb^3＋, as a sensitizer and as an average component, are discussed. It is found that Yb^3＋ as an average component contributes to the increase of fluorescence lifetime, and Yb^3＋ as a sensitizer has the best sensitization when its concentration is 2.4 mol%.     

Measurement of PV asymmetry in n＋p→d＋γ and γ＋d→n＋p

The measurement of parity-violating （PV） observables in few-nucleon system can shed light on our current understanding of the weak interaction between nucleons.Theoretical models describe the nucleonnucleon weak interaction at low energies use a series of undetermined parameters.Two parity violating measurements have been considered： the capture of polarized slow neutrons on hydrogen （n ＋ p → d ＋ γ） at Los Alamos National Laboratory for first phase and Oka Ridge National Laboratory for second phase and the helicity dependence of the deuteron photodisintegration cross section using circularly polarized photons （γ ＋ d → n ＋ p） at Shanghai Institute of Applied Physics.The goal of both experiments is to constraint the weak meson-nucleon couplings to a precision of 1 ×10^-8 .The introduction of both experiments is presented.     

Variation of Ionization Mechanisms with q in the Collision of He^2＋ with C^q＋

The ionization process in the collisions of He^2＋ with C^q＋ （q = 0-5） is investigated by using the continuum-distorted-wave eikonal-initial-state approximation. Double-differential cross sections for 1s and 2s sub-shells are obtained at the electron-ejected angle θ = 0° with the projectile energy ranging from 30keV/u to 10MeV/u. Variation of ionization mechanisms with q in C^q＋ is studied, and the dependences on the projectile energies and target sub-shells are also discussed. It is found that in the whole energy range, the absolute values of soft collision （SC） and binary encounter （BE） peaks decrease with increasing q. For the lower incident energies, the electron capture to the projectile continuum （ECC） peak decrease with increasing q as well as SC and BE peaks. For the higher incident energies （〉 1 MeV/u）, the absolute value of ECC peak increases with increasing q, so that the crossings of cross sections appear for C^q＋ with different q. This can be explained by the matching of velocities between the projectile and the electron initially bound to the target.     

Influence of reagent vibration on the stereodynamics of the Li ＋ HF → LiF ＋ H reaction

We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classical trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al.(J.Chem.Phys.1997 106 1013).The cross sections and reaction probability as functions of the reagent vibration are calculated in the centre-ofmass frame.The product angular distributions of p(θr),p(φr),and p(θr,φr),which reflect the vector correlation,are also presented and discussed.The results indicate that the vector properties are sensitively affected by the vibrational excitation.     

Relativistic R-matrix studies of photoionization processes of Ar^5＋

The 3s–np photoionization processes of the ground state 2P1/2 and the metastable state 2P3/2 of Ar5＋ are investigated using our recently developed relativistic R-matrix code, where the interactions between the bound states and the continuum states are included. Both resonance positions and the oscillator strengths are in much better agreement with the absolute experimental measurements by Wang et al.[Wang J C, Lu M, Esteves D, Habibi M, Alna’washi G and Phaneuf R A 2007 Phys. Rev. A 75 062712] with a resolution of 80 meV than their theoretical results. The contributions of the two experimental unresolved transitions are distinguished in our calculations, which show that the transitions from the ground state also make significant contributions to some resonances. Our theoretical results are also in good agreement with the measurements for the first resonance with a higher resolution of 20 meV.     

Photoluminescence of an Yba＋/Al3＋-codoped microstructured optical fibre

An Yba＋/Al3＋-codoped microstructured optical fibre is prepared based on photonic crystal fibre technology. The characteristic spectra of preforms and fibres are experimentally investigated. The results show that under a 971 nm excitation, besides the known infrared fluorescence luminescence around 1050 nm, a blue luminescence peak at 486 nm is obtained. Moreover, an unexpected emission peak at 730 nm is also observed. The photoluminescence mechanism of an Yba＋/Al3＋-codoped microstructured optical fibre is discussed. The emission peak at 486 nm is attributed to the cooperative upconversion resulting from pairs of Yb3＋ ions, and the emission peak around 730 nm is ascribed to the stimulated Raman scattering because of nonlinear effects of microstructured optical fibre. The Yba＋/Al3＋-codoped microstructured optical fibre is promising for varieties of applications from laser printing and optical recording to cancer treatments, such as photodynamic therapy.     

Classical Study of Transfer and Ionization in A^2＋＋He Collisions

A simple model for the direct ionization and transfer ionization probabilities in A^2＋＋He collisions in a wide projectile energy range is proposed based on the Bohr-Lindhard model and the classical statistical model. The calculated cross sections are in satisfactory agreement with the experimental data available.     

Dissociation and Coulomb Explosion of H2^4＋ in S^q＋ ＋H2 Collisions

We have investigated fragment emission from molecularions in H2^r collisions between S^q and H2 with incident energies of 12.5, 15.625, 18.75, 21.875, 25, 28.125, 31.25, 34.375, 37.5, 40.625, and 43.75 keV/u, respectively. The energy distributions of the fragments are measured by time-of-flight techniques. The experimental results show evidences for molecular Coulomb explosion and dissociation. A program[1] is estab-lished based on the Monte Carlo technique to simulate the time-of-flight spectrum of fragment ions with different initialkinetic energy in ion-Molecule collisions. Simulations are done for S^2 H2 collisions and compared with experimental results.     

The theoretical character of the X^1∑^＋ and A^1∑^＋ states of ScN

This paper calculates the potential energy curves (PECs) of the ground state (X 1 Σ + ) and excited state (A 1 Σ + ) of ScN molecule by multireference configuration interaction method. The correct character of the PECs has been gripped while they had been improperly reported in the literature. Based on the PECs, the spectroscopic parameters and vibrational energy levels are determined, and compared with experimental data and other theoretical works available at the present.