974 resultados para CALCULATED OSCILLATOR-STRENGTHS


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The aim of this study was determine whether bonding of glass-ionomer cements to non-carious dentine differed from that to carious dentine. Five commercial cements were used, namely Fuji IX GP, Fuji IX capsulated, Fuji IX Fast capsulated (all GC, Japan), Ketac-Molar and Ketac-Molar Aplicap (both 3M-ESPE, Germany). Following conditioning of the substrate with 10% poly (acrylic acid) for 10 s, sets of 10 samples of the cements were bonded to prepared teeth that had been removed for orthodontic reasons. The teeth used had either sound dentine or sclerotic dentine. Shear bond strengths were determined following 24 h storage. For the auto-mixed cements, shear bond strength to sound dentine was found not to differ statistically from shear bond strength to sclerotic dentine whereas for hand-mixed cements, shear bond to sound dentine was found to be higher than to carious dentine (to at least p < 0.05). This shows that the chemical effects arising from interactions of glass-ionomer cements with the mineral phase of the tooth are the most important in developing strong bonds, at least in the shorter term.

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Energy levels and radiative rates for transitions among the lowest 24 fine-structure levels belonging to the ls(2) nl (n <5) configurations of Li-like O VI have been calculated using the fully relativistic GRASP code. Additionally, collision strengths for transitions among these levels have been computed over a wide energy range below 63 Ry, using the Dirac Atomic R- matrix Code. Resonances have been resolved in a fine energy mesh in order to calculate the effective collision strengths. Results for radiative rates, collision strengths, and effective collision strengths are presented for all transitions. Comparisons with other available results are made, and the accuracy of the present data is assessed. Energy levels are expected to be accurate to within 1%, while other parameters are probably accurate to better than 20%.

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Energy levels and radiative rates for transitions among the lowest 24 fine-structure levels belonging to the ls(2) nl (n <5) configurations of Li-like C IV have been calculated using the fully relativistic GRASP code. Additionally, collision strengths for transitions among these levels have been computed over a wide energy range below 28 Ry, using the Dirac Atomic R- matrix Code. Resonances have been resolved in a fine energy mesh in order to calculate the effective collision strengths. Results for radiative rates, collision strengths, and effective collision strengths are presented for all transitions. Comparisons with other available results are made, and the accuracy of the present data is assessed. Energy levels are expected to be accurate to within 1%, while other parameters are probably accurate to better than 20%.

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Energy levels and radiative rates for transitions among the lowest 60 fine-structure levels belonging to the (1s(2)) 2s(2)2p(5), 2s2p(6), and 2s(2)2p(4)3l configurations of F-like Mo XXXIV have been calculated using the fully relativistic GRASP code. Additionally, collision strengths for transitions among these levels have also been computed over a wide energy range below 3200 Ry. using the Dirac Atomic R-matrix Code. Resonances have been resolved in a fine energy mesh in order to calculate the effective collision strengths. Results for radiative rates, collision strengths, and excitation rates are presented for transitions from the lowest three levels to higher lying states. Comparisons with other available results are made, and the accuracy of the present data is assessed. Energy levels are expected to be accurate to within 1%, while other parameters are probably accurate to better than 20%.

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Effective collision strengths for transitions among the energetically lowest 46 fine-structure levels belonging to the (1s(2)) 2S(2) 2p(2), 2s2p(3), 2p(4), 2S(2)2p3s, 2s(2)2p3p and 2S(2)2p3d configurations of Fe XXI are computed, over an electron temperature range of 5.6 less than or equal to log T-e less than or equal to 7.4 K, using the recent Dirac Atomic R- matrix Code (DARC) of Norrington and Grant. Results are presented for transitions within the ground configuration only, and are compared with earlier R matrix calculations. Large discrepancies are observed for many transitions, especially at lower temperatures.

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Collision strengths for all transitions up to and including the n = 5 levels of Al XIII have been computed in the LS coupling scheme using the R-matrix code. All partial waves with angular momentum L less than or equal to 45 have been included, and resonances have been resolved in a fine energy grid in the threshold region. Collision strengths are tabulated at energies above thresholds in the range 162.30 less than or equal to E less than or equal to 220.0 Ry, and results for the 1s-2s and 1s-2p transitions are compared with those of previous authors. Additionally, effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron velocities, are tabulated over a wide temperature range of 4.40 less than or equal to log T-e less than or equal to 6.40 K.

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Energy levels and radiative rates for transitions among the 107 finestructure levels belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p(6)3d(10), 3s(2)3p(6)3d(9)4l, 3s(2)3p(5)3d(10)4l, and 3s3p(6)3d(10)4l configurations of Ni-like ions with 60 less than or equal to Z less than or equal to 90 have been calculated using the GRASP code. The collision strengths (Omega) have also been computed for transitions in Gd XXXVII at energies below 800 Ryd, using the DARC code. Resonances have been resolved in a fine energy mesh in the threshold region, and excitation rate coefficients have been calculated for transitions from the ground level to excited levels at temperatures below 2500 eV. These have been compared with those available in the literature, and enhancement in the values of rates, due to resonances, has been observed up to an order of magnitude for some of the transitions.

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Energies of the 700 lowest levels in Fe XX have been obtained using the multiconfiguration Dirac-Fock method. Configuration interaction method on the basis set of transformed radial orbitals with variable parameters taking into account relativistic corrections in the Breit-Pauli approximation was used to crosscheck our presented results. Transition probabilities, oscillator and line strengths are presented for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these levels. The total radiative transition probabilities from each level are also provided. Results are compared with data compiled by NIST and with other theoretical work.

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R-matrix calculations of electron impact excitation rates in N-like Mg vi are used to derive theoretical electron-density-sensitive emission line ratios involving 2s(2)2p(3)-2s2p(4) transitions in the 269-403 Angstrom wavelength range. A comparison of these with observations of a solar active region, obtained during the 1989 flight of the Solar EUV Rocket Telescope and Spectrograph (SERTS), reveals good agreement between theory and observation for the 2s(2)2p(3) S-4-2s2p(4) P-4 transitions at 399.28, 400.67, and 403.30 Angstrom, and the 2s(2)2p(3) P-2-2s2p(4) D-2 lines at 387.77 and 387.97 Angstrom. However, intensities for the other lines attributed to Mg vi in this spectrum by various authors do not match the present theoretical predictions. We argue that these discrepancies are not due to errors in the adopted atomic data, as previously suggested, but rather to observational uncertainties or mis-identifications. Some of the features previously identified as Mg vi lines in the SERTS spectrum, such as 291.36 and 293.15 Angstrom, are judged to be noise, while others (including 349.16 Angstrom) appear to be blended.

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Effective collision strengths for electron-impact excitation of the phosphorus-like ion Cl III are presented for all fine- structure transitions among the levels arising from the lowest 23 LS states. The collisional cross sections are computed in the multichannel close-coupling R-matrix approximation, where sophisticated configuration-interaction wave functions are used to represent the target states. The 23 LS states are formed from the basis configurations 3s(2)3p(3). 3s3p(4). 3s(2)3p(2)3d, and 3s(2)3p(2)4s, and correspond to 49 fine- structure levels, leading to a total possible 1176 fine- structure transitions. The effective collision strengths. obtained by averaging the electron collision strengths over a Maxwellian distribution of electron velocities. are tabulated in this paper for all 1176 transitions and for electron temperatures in the ranges T(K) = 7500-25.000 and log T(K) = 4.4-5.3. The former range encompasses the temperatures of particular importance for application to gaseous nebulae. while the latter range is more applicable to the study of solar and laboratory-type plasmas. (C) 2001 Academic Press.

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Effective collision strengths for electron-impact excitation of the nitrogen-like ion Si VIII are presented over the wide range of electron temperatures log T(K) = 4.0-6.5. All 231 fine- structure transitions among the 22 fine-structure levels arising from the lowest 11 LS target states (2s(2)2p(3), 2s2p(4), 2p(5), and 2s(2)2p(2)3s) are considered in the tabulation. The collision strengths are evaluated in a multi- channel R-matrix approach, and the corresponding effective collision strengths are obtained by averaging these over a Maxwellian distribution of electron velocities. Comparisons are made with recent distorted-wave results at high incident electron energies. Differences of up to 20% are found, particularly for some allowed transitions. (C) 2003 Elsevier Inc. All rights reserved.

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Wideband far infrared (FIR) spectra of complex permittivity e(p) of ice are calculated in terms of a simple analytical theory based on the method of dipolar autocorrelation functions. The molecular model represents a revision of the model recently presented for liquid water in Adv. Chem. Phys. 127 (2003) 65. A composite two-fractional model is proposed. The model is characterised by three phenomenological potential wells corresponding to the three FIR bands observed in ice. The first fraction comprises dipoles reorienting in a rather narrow and deep hat-like well; these dipoles generate the librational band centred at the frequency approximate to 880 cm(-1). The second fraction comprises elastically interacting particles; they generate two nearby bands placed around frequency 200 cm(-1). For description of one of these bands the harmonic oscillator (HO) model is used, in which translational oscillations of two charged molecules along the H-bond are considered. The other band is produced by the H-bond stretch, which governs hindered rotation of a rigid dipole. Such a motion and its dielectric response are described in terms of a new cut parabolic (CP) model applicable for any vibration amplitude. The composite hat-HO-CP model results in a smooth epsilon(nu) ice spectrum, which does not resemble the noise-like spectra of ice met in the known literature. The proposed theory satisfactorily agrees with the experimental ice spectrum measured at - 7 degrees C. The calculated longitudinal optic-transverse optic (LO-TO) splitting occurring at approximate to 250 cm(-1) qualitatively agrees with the measured data. (c) 2004 Elsevier B.V. All rights reserved.

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Dielectronic recombination (DR) has been studied in highly charged He-like Ti ions using an electron beam ion trap. X-rays emitted from radiative recombination (RR) and DR were observed as the electron beam energy was scanned through the resonances. Differential DR resonant strengths were determined by normalizing the DR x-ray intensity to the RR intensity using theoretical RR cross sections. KLn (2 less than or equal to n less than or equal to 5) resonant strengths were determined for He-like Ti ions. The differential resonant strengths were calibrated without reference to any theoretical DR calculations while the electron energy scale was derived with reference to the well-known energy for ionization of the He-like and H-like ions from the ground state. Calibration in this way facilitates a more exacting comparison between theory and experiment than has been reported previously. To facilitate this comparison, total and differential theoretical resonance strengths were calculated. These calculations were found to be in good agreement with the measured results.