Electron impact excitation of Be-like ions: a comparison of DARC and ICFT results

Emission lines of Be-like ions are frequently observed in astrophysical plasmas, and many are useful for density and temperature diagnostics. However, accurate atomic data for energy levels, radiative rates (A-values) and effective electron excitation collision strengths ($\Upsilon$) are required for reliable plasma modelling. In general it is reasonably straightforward to calculate energy levels and A- values to a high level of accuracy. By contrast, considerable effort is required to calculate $\Upsilon$, and hence it is not always possible to assess the accuracy of available data. Recently, two independent calculations (adopting the $R$-matrix method) but with different approaches (DARC and ICFT) have appeared for a range of Be-like ions. Therefore, in this work we compare the two sets of $\Upsilon$, highlight the large discrepancies for a significant number of transitions and suggest possible reasons for these.

Electron-impact excitation of W 44+ and W 45+

Plans to employ tungsten in the divertor region of the International Thermonuclear Experimental Reactor require radiative and collisional data for modelling x-ray emissions of highly ionized stages of tungsten. In an earlier paper, we reported on the results of fully relativistic R -matrix calculations for W 46+ that included the effects of radiation damping on the resonance contributions. In this paper, we present the results of similar fully relativistic, radiatively damped R -matrix calculations for W 44+ and W 45+ . Radiation damping is found to be small for W 45+ , but is appreciable for many of the excitations from the ground and metastable levels of W 44+ . Rates from the present calculations will be combined with those from the calculations for W 46+ and employed for collisional-radiative modelling for these ions.

Relativistic radiatively damped R-matrix calculation of the electron-impact excitation of W46+

The current design plans for the International Thermonuclear\nExperimental Reactor ( ITER) call for tungsten to be employed for\ncertain plasma facing components in the divertor region. Thus, accurate\natomic collision data are needed for emission modelling of tungsten.\nElectron-impact excitation and radiative rates are of particular\nimportance for Ni-like W, since this ion emits some of the most intense\nspectral lines of all ionization stages. We report on a fully\nrelativistic 115-level R-matrix calculations of W46+, which includes the\neffects of radiation damping. Although radiation damping is very\nimportant in most highly ionized species, its effects are reduced in\nthis case because of the closed-shell Ni-like ground state. The rates\nfrom these relativistic atomic calculations will be employed for\ncollisional-radiative modelling of this ion.

Dirac R -matrix calculations of electron-impact excitation of neon-like krypton

We have employed the Dirac R -matrix method to determine electron-impact excitation cross sections and effective collision strengths in Ne-like Kr 26+ . Both the configuration-interaction expansion of the target and the close-coupling expansion employed in the scattering calculation included 139 levels up through n = 5. Many of the cross sections are found to exhibit very strong resonances, yet the effects of radiation damping on the resonance contributions are relatively small. Using these collisional data along with multi-configuration Dirac–Fock radiative rates, we have performed collisional-radiative modeling calculations to determine line-intensity ratios for various radiative transitions that have been employed for diagnostics of other Ne-like ions.

A radiation-damped R -matrix approach to the electron-impact excitation of helium-like ions for diagnostic application to fusion and astrophysical plasmas

Electron-impact excitation collision strengths for transitions between all singly excited levels up to the n = 4 shell of helium-Eke argon and the n = 4 and 5 shells of helium-like iron have been calculated using a radiation-damped R-matrix approach. The theoretical collision strengths have been examined and associated with their infinite-energy limit values to allow the preparation of Maxwell-averaged effective collision strengths. These are conservatively considered to be accurate to within 20% at all temperatures, 3 x 10(5)-3 x 10(8) K forAr(16+) and 10(6)-10(9) K for Fe24+. They have been compared with the results of previous studies, where possible, and we find a broad accord. The corresponding rate coefficients are required for use in the calculation of derived, collisional-radiative, effective emission coefficients for helium-like lines for diagnostic application to fusion and astrophysical plasmas. The uncertainties in the fundamental collision data have been used to provide a critical assessment of the expected resultant uncertainties in such derived data, including redistributive and cascade collisional-radiative effects. The consequential uncertainties in the parts of the effective emission coefficients driven by excitation from the ground levels for the key w, x, y and z lines vary between 5% and 10%. Our results remove an uncertainty in the reaction rates of a key class of atomic processes governing the spectral emission of helium-like ions in plasmas.

Controlling Excitation Inversion of a Cooper Pair Box Interacting with a Nanomechanical Resonator

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Conformational transitions of glycine induced by vibrational excitation of the O-H stretch

Vibrational energy flow and conformational transitions following excitation of the OH stretching mode of the most stable conformer of glycine are studied by classical trajectories. "On the fly" simulations with the PM3 semiempirical electronic structure method for the potential surface are used. Initial conditions are selected to correspond to the v = 1 excitation of the OH stretch. The main findings are: (1) An an equilibrium-like ratio is established between the populations of the 3 lowest-lying conformers after about 10 picoseconds. (2) There is a high probability throughout the 150 ps of the simulations for finding the molecule in geometries far from the equilibrium structures of the lowest-energy conformers. (3) Energy from the initial excited OH (v = 1) stretch flows preferentially to 5 other vibrational modes, including the bending motion of the H atom. (4) RRK theory yields conformational transition rates that deviate substantially from the classical trajectory results. Possible implication of these results for vibrational energy flow and conformational transitions in small biological molecules are discussed.

Swift heavy ion damage to sodium chloride: synergy between excitation and thermal spikes

Systematic data on the effect of irradiation with swift ions (Zn at 735 MeV and Xe at 929 MeV) on NaCl single crystals have been analysed in terms of a synergetic two-spike approach (thermal and excitation spikes). The coupling of the two spikes, simultaneously generated by the irradiation, contributes to the operation of a non-radiative exciton decay model as proposed for purely ionization damage. Using this scheme, we have accounted for the π-emission yield of self-trapped excitons and its temperature dependence under ion-beam irradiation. Moreover, the initial production rates of F-centre growth have also been reasonably simulated for irradiation at low temperatures ( < 100 K), where colour centre annealing and aggregation can be neglected.

Energy transfer rates and population inversion investigation of sup(1)Gsub(4) and sup(1)Dsub(2) excited states of Tmsup(3+) in Yb:Tm:Nd:KYsub(3)Fsub(10) crystals

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Energy transfer rates and population inversion of sup(4)Isub(11/2) excited state of Ersup(3+) investigated by means of numerical solutions of the rate equations system in Er:LiYFsub(4) crystal

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Raman spectroscopy of kaolinites using different excitation wavelengths

The Raman spectra of both low- and high-defect kaolinites in the hydroxyl stretching and low-wavenumber region were obtained with excitation at three visible wavelengths of 633, 514 and 442 nm and a UV wavelength of 325 nm. The UV-excited spectra were comparable to those excited by the visible wavelengths. The Raman spectra show hydroxyl stretching bands at 3621 cm-1 attributed to the inner hydroxyl, at 3692 and 3684 cm-1 attributed to the longitudinal and transverse optic modes of the inner surface hydroxyls and at 3668 and 3653 cm-1 assigned to the out-of phase vibrations of the inner surface hydroxyls. Two bands were observed in the spectral profile at 3695 cm-1 for the high-defect kaolinite at 3698 and 3691 cm-1 and were assigned to TO/LO splitting. An increase in relative intensity of the transverse optic mode is observed with decrease in laser wavelength. The intensity of the out-of-phase vibrations at 3668 and 3653 cm-1 of the inner surface hydroxyls shows a linear relationship with the longitudinal and transverse optic modes. In the low-wavenumber region excellent correlation was found between the experimentally determined and the calculated band positions.