Three-photon detachment of electrons from the fluorine negative ion

Absolute three-photon detachment cross sections are calculated for the fluorine negative ion within the lowest-order perturbation theory. The Dyson equation of the atomic many-body theory is used to obtain the ground-state 2p wavefunction with correct asymptotic behaviour, corresponding to the true (experimental) binding energy. We show that in accordance with the adiabatic theory this is crucial for obtaining absolute values of the multiphoton cross sections. Comparisons with other calculations and experimental data are presented.

Forensic examination of multilayer white paint by lateral scanning Raman spectroscopy

Multilayer samples of white architectural paint potentially have very high evidential value in forensic casework, because the probability that two unrelated samples will have the same sequence of layers is extremely low. However, discrimination between the different layers using optical microscopy is often difficult or impossible. Here, lateral scanning Raman spectroscopy has been used to chemically map the cross-sections of multilayer white paint chips. It was found that the spectra did allow the different layers to be delineated on the basis of their spectral features. The boundaries between different layers were not as sharp as expected, with transitions occurring over length scales of > 20 µm, even with laser spot diameters <4 µm. However, the blurring of the boundaries was not so large as to prevent recording and identification of spectra from each of the layers in the samples. This method clearly provides excellent discrimination between different multilayer white paint samples and can readily be incorporated into existing procedures for examination of paint transfer evidence.

Residential consumption of gas and electricity in the U.S.: The role of prices and income

We study the residential demand for electricity and gas, working with nationwide household-level data that cover recent years, namely 1997-2007. Our dataset is a mixed panel/multi-year cross-sections of dwellings/households in the 50 largest metropolitan areas in the United States as of 2008. We estimate static and dynamic models of electricity and gas demand. We find strong household response to energy prices, both in the short and long term. From the static models, we get estimates of the own price elasticity of electricity demand in the -0.860 to -0.667 range, while the own price elasticity of gas demand is -0.693 to -0.566. These results are robust to a variety of checks. Contrary to earlier literature (Metcalf and Hassett, 1999; Reiss and White, 2005), we find no evidence of significantly different elasticities across households with electric and gas heat. The price elasticity of electricity demand declines with income, but the magnitude of this effect is small. These results are in sharp contrast to much of the literature on residential energy consumption in the United States, and with the figures used in current government agency practice. Our results suggest that there might be greater potential for policies which affect energy price than may have been previously appreciated. (C) 2011 Elsevier B.V. All rights reserved.

Chemical processes in protoplanetary disks. II. On the importance of photochemistry and X-ray ionization

We investigate the impact of photochemistry and X-ray ionization on the molecular composition of, and ionization fraction in, a protoplanetary disk surrounding a typical T Tauri star. We use a sophisticated physical model, which includes a robust treatment of the radiative transfer of UV and X-ray radiation, and calculate the time-dependent chemical structure using a comprehensive chemical network. In previous work, we approximated the photochemistry and X-ray ionization; here, we recalculate the photoreaction rates using the explicit UV wavelength spectrum and wavelength-dependent reaction cross sections. We recalculate the X-ray ionization rate using our explicit elemental composition and X-ray energy spectrum. We find that photochemistry has a larger influence on the molecular composition than X-ray ionization. Observable molecules sensitive to the photorates include OH, HCO+, N2H+, H2O, CO2, and CH3OH. The only molecule significantly affected by the X-ray ionization is N2H+, indicating that it is safe to adopt existing approximations of the X-ray ionization rate in typical T Tauri star-disk systems. The recalculation of the photorates increases the abundances of neutral molecules in the outer disk, highlighting the importance of taking into account the shape of the UV spectrum in protoplanetary disks. A recalculation of the photoreaction rates also affects the gas-phase chemistry due to the adjustment of the H/H2 and C+/C ratios. The disk ionization fraction is not significantly affected by the methods adopted to calculate the photochemistry and X-ray ionization. We determine that there is a probable "dead zone" where accretion is suppressed, present in a layer, Z/R lsim 0.1-0.2, in the disk midplane, within R ˜ 200 AU.

Emission lines of Fe XI in the 257-407 A wavelength region observed in solar spectra from EIS/Hinode and SERTS

Theoretical emission-line ratios involving Fe xi transitions in the 257-407 A wavelength range are derived using fully relativistic calculations of radiative rates and electron impact excitation cross-sections. These are subsequently compared with both long wavelength channel Extreme-Ultraviolet Imaging Spectrometer (EIS) spectra from the Hinode satellite (covering 245-291 A) and first-order observations (similar to 235-449 A) obtained by the Solar Extreme-ultraviolet Research Telescope and Spectrograph (SERTS). The 266.39, 266.60 and 276.36 A lines of Fe xi are detected in two EIS spectra, confirming earlier identifications of these features, and 276.36 A is found to provide an electron density (N-e) diagnostic when ratioed against the 257.55 A transition. Agreement between theory and observation is found to be generally good for the SERTS data sets, with discrepancies normally being due to known line blends, while the 257.55 A feature is detected for the first time in SERTS spectra. The most useful Fe xi electron density diagnostic is found to be the 308.54/352.67 intensity ratio, which varies by a factor of 8.4 between N-e = 108 and 1011 cm-3, while showing little temperature sensitivity. However, the 349.04/352.67 ratio potentially provides a superior diagnostic, as it involves lines which are closer in wavelength, and varies by a factor of 14.7 between N-e = 108 and 1011 cm-3. Unfortunately, the 349.04 A line is relatively weak, and also blended with the second-order Fe x 174.52 A feature, unless the first-order instrument response is enhanced.

Design of a thick-walled screen for flow equalization in microstructured reactors

A systematic computational fluid dynamics (CFD) approach has been applied to design the geometry of the channels of a three-dimensional (thick-walled) screen comprising upstream and downstream sets of elongated channels positioned at an angle of 90 degrees with respect to each other. Such a geometry of the thick-wall screen can effectively drop the ratio of the maximum flow velocity to mean flow velocity below 1.005 in a downstream microstructured reactor at low Reynolds numbers. In this approach the problem of flow equalization reduces to that of flow equalization in the first and second downstream channels of the thick-walled screen. In turn, this requires flow equalization in the corresponding cross-sections of the upstream channels. The validity of the proposed design method was assessed through a case study. The effect of different design parameters on the flow non-uniformity in the downstream channels has been established. The design equation is proposed to calculate the optimum values of the screen parameters. The CFD results on flow distribution were experimentally validated by Laser Doppler Anemometry measurements in the range of Reynolds numbers from 6 to 113. The measured flow non-uniformity in the separate reactor channels was below 2%.

Header design for flow equalization in microstructured reactors

To enhance the uniformity of fluid flow distribution in microreactors, a header configuration consisting of a cone diffuser connected to a thick-walled screen has been proposed. The thick-walled screen consists of two sections: the upstream section constitutes a set of elongated parallel upstream channels and the downstream section constitutes a set of elongated parallel downstream channels positioned at an angle of 90 with respect to the upstream channels. In this approach the problem of flow, equalization reduces to that of flow equalization in the first and second downstream channels of the thick-walled screen. In turn, this requires flow equalization in the corresponding cross sections of the upstream channels. The computational fluid dynamics analysis of the fluid flow maldistribution shows that eight parallel upstream channels with a width of 300-600 pm are required per 1 cm of length for flow equalization. The length to width ratio of these channels has to be > 15. The numerical results suggest that the proposed header-configuration can effectively improve the performance of the downstream microstructured devices, decreasing the ratio of the maximum flow velocity to the mean flow velocity from 2 to 1.005 for a wide range of Reynolds numbers (0.5-10). 2006 American Institute of Chemical Engineers AlChE J, 53: 28-38, 2007.

MEASUREMENT OF DIELECTRONIC RECOMBINATION IN HE+ IONS

Dielectronic recombination was investigated for He+, the simplest ion for which this process is possible. This work was done using the light-ion storage ring and electron cooler at the Indiana University Cyclotron Facility. Resonant recombination yields resulting from 1s +e- --> nln'l' transitions were observed with sufficient resolution (about 1 eV in the center of mass) to isolate and obtain cross sections for the 2s 2p 3P0 and 2p2 1D terms. The measured cross sections, integrated over the DELTAn = 1 2ln'l' states, agree in magnitude with theoretical calculations. Additionally, DELTAn = 2 dielectronic recombination events associated with 3ln'l' intermediate states were observed.

TIME-RESOLVED OPTICAL-EMISSION AND ELECTRON-ENERGY DISTRIBUTION FUNCTION MEASUREMENTS IN RF PLASMAS

Comparisons between experimentally measured time-dependent electron energy distribution functions and optical emission intensities are reported for low-frequency (100 and 400 kHz) radio-frequency driven discharges in argon. The electron energy distribution functions were measured with a time-resolved Langmuir probe system. Time-resolved optical emissions of argon resonance lines at 687.1 and 750.4 nm were determined by photon-counting methods. Known ground-state and metastable-state excitation cross sections were used along with the measured electron energy distribution functions to calculate the time dependence of the optical emission intensity. It was found that a calculation using only the ground-state cross sections gave the best agreement with the time dependence of the measured optical emission. Time-dependent electron density, electron temperature, and plasma potential measurements are also reported.

Spin-orbit effects on photoionization-produced alignment of the Ar+ 3p(4)(P-3)4p levels

We have determined photoionization spectra of Ar with excitation of the 3p(4)(P-3)4p states emphasizing the effects of two different classes of Ar+ spin-orbit interactions. The spin-orbit splitting of each Ar+ state adequately describes the resonant excitation of the quartet states of Ar+, and gives Ar photoionization cross sections with excitation of the 3p4(3P)4p P-2(3/2)o and P-4(5/2)o levels of Ar+ in sufficiently good agreement with experiment to identify the observed resonances and to estimate the excitation strengths. In addition, we demonstrate the importance of spin-orbit induced mixing of different Ar+ LS-coupled states for observables such as the alignment of the 3p(4)(P-3)4p P-4(5/2)o level and the excitation of Rydberg series converging to the 3p(4)(P-3)4p S-2(o) and S-4(o) thresholds.

Two-photon double ionization of He

We determine generalized cross sections for two-photon double ionization of He in the photon energy region between 40.7 and 47 eV where absorption of two photons can lead to non-sequential double ionization only. The present cross sections, obtained in R-matrix Floquet theory, agree with cross sections obtained from time-dependent calculations. By examining the ratio of two-photon double ionization to two-photon single ionization, we demonstrate that core excitation effects at an intensity of 10(13) W cm(-2) are relatively unimportant at 45 eV, but that they are significant at other photon energies.

Excitation of the 3p^4(4s,3d,4p) Ar^+ states during Ar photoionization:Intensity, alignment, and orientation

Ar photoionization is studied using the R-matrix formalism with emphasis on the simultaneous excitation of the residual A^r+ ion. Cross sections have been obtained for excitation of the 3p^4(3d,4s,4p) states. A comparison with experiments having a resolution of 70 meV shows reasonable agreement for the position and shape of resonance structures. The relative magnitude of the resonances proves to be more elusive. The partial cross section for excitation of the 3p^4(3Pe)4p(2P_3/2^o) and (2D_3/2^o) levels is treated in more detail. A comparison of LS-coupling calculations with high-resolution experimental results shows good agreement for both the excitation cross sections and the polarization of the fluorescence. We also predict the orientation for both levels. We demonstrate that the polarization of the fluorescence originating from the (2D_3/2^o) level can be employed to study spin-orbit effects in Ar photoionization.

B-spline methods in R-matrix theory for scattering in two-electron systems

The use of B-spline basis sets in R-matrix theory for scattering processes has been investigated. In the present approach a B-spline basis is used for the description of the inner region, which is matched to the physical outgoing wavefunctions by the R-matrix. Using B-splines, continuum basis functions can be determined easily, while pseudostates can be included naturally. The accuracy for low-energy scattering processes is demonstrated by calculating inelastic scattering cross sections for e colliding on H. Very good agreement with other calculations has been obtained. Further extensions of the codes to quasi two-electron systems and general atoms are discussed as well as the application to (multi) photoionization.

R-matrix Floquet theory of multiphoton processes:VI. The negative halide ions

The R-matrix Floquet approach is applied to study the negative F and Cl ions in a light field. Detachment rates are obtained for detachment processes involving up to three photons. The results obtained in the present approach are compared to other experimental and theoretical results. For two- and three-photon processes reasonable agreement with other calculations has been found, while for two-photon detachment the results agree with the experimental cross sections. The three-photon results are in less good agreement with experiment although the larger error bars make accurate comparisons more difficult. The changes in the detachment behaviour for these ions are compared to each other as well as to the detachment behaviour of H.

Time-dependent density functional theory study of charge transfer in collisions

We study the charge transfer between colliding ions, atoms, or molecules, within time-dependent density functional theory. Two particular cases are presented, the collision between a proton and a Helium atom, and between a gold atom and a butane molecule. In the first case, proton kinetic energies between 16 keV and 1.2 MeV are considered, with impact parameters between 0.31 and 1.9 angstrom. The partial transfer of charge is monitored with time. The total cross-section is obtained as a function of the proton kinetic energy. In the second case, we analyze one trajectory and discuss spin-dependent charge transfer between the different fragments.