Theoretical study on decay of the 4d core-excited states of Cs III

In a recent XUV photoabsorption spectrum of Cs Ⅲ ions by Cummings and O＇Sullivan [2001 J. Phys. B 34 199], rather large linewidths were found for the 4d^95s^25p^6 - 4d^105s^25p^5 transition which are quite in disagreement with corresponding quasi-relativistic multiconfiguration Hartree Fock （MCHF） calculation. In the present work, a detailed multiconfiguration Dirac-Fock study has been carried out to explore this discrepancy. Owing to the detailed consideration of electron correlation effects, some ‘forbidden＇ Auger decay channels, such as 4d^105s^25p^35d and 4d^105s^05p^6, would become ‘open＇. As a result, remarkable improvement of the linewidths has been obtained in our calculation. Furthermore, the theoretical Auger spectrum of the 4d^ 95s^25p^6 core-excited states of Cs Ⅲ ions is Riven in the present work.     

Excitation and decay dynamics of 1s2s inner-shell double-vacancy states of neon atoms

The photo-excitation and Auger decay processes of inner-shell double vacancy states 1s2s2p^6（1,3^S）3s3p of neutral neon atoms have been studied theoretically. Multi-configuration Dirac-Fock （MCDF） calculations have been carried out, with electron correlation effects taken into consideration. The relaxation of core and excited orbitals and configuration interaction are found to be crucial to creating the double vacancy states by single photo-absorption. The predominant decay paths for the double vacancy states turn out to be of the LLM Auger decay to 1s 2s^22p^53s（3p）, KLL Auger decay to 1s^22s2p^43s3p, and KLM Auger decay to 1s^22p^63s（3p）. They lead to further Auger decay, creating the neon ions of multiple charge states. For both double and single vacancy states the spectator type of Auger process is dominated in all the Auger decay processes. Theoretical Anger electron spectra are presented for further investigations, experimental and theoretical.     

Characteristics of Nd：GdVO4 Laser with Different Nd-Doping Concentrations

We report the properties of a compact diode-pumped continuous-wave Nd：GdV04 laser with a linear cavity and different Nd-doped laser crystals. In a 0.2at.% Nd-doped Nd：GdVO4 laser, 1.54 W output laser power is achieved at 912nm wavelength with a slope efficiency of 24.8% at an absorbed pump power of 9.4W. With 0.3at.% Nd-doping concentration, we can obtain the either single-wavelength emission at 1064nm or 912nm or the dual-wavelength emission at 1064nm and 912nm by controlling the incident pump power. From an incident pump power of 11.6 W, the 1064nm emission between ^4Fa/2 and ^4I11/2 is suppressed completely by the 912nm emission between ^4Fa/2 and ^4I9/2. We obtain 670 mW output of the 912nm single-wavelength laser emission with a slope efficiency of 5.5% by taking an incident pump power of 18.4 W. Using a Nd：GdV04 laser with 0.4at.% Nd-doping concentration, we obtain either the single-wavelength emission at 1064nm or the dual-wavelength emission at both 1064nm and 912nm by increasing the incident pump power. We observe a strong competition process in the dualavelength laser.     

Point-mutation effects on charge-transport properties of the tumor-suppressor gene p53

We report on a theoretical study of point mutations effects on charge transfer properties in the DNA sequence of the tumor-suppressor p53 gene. On the basis of effective tight-binding models which simulate hole propagation along the DNA, a statistical analysis of mutation-induced charge transfer modifications is performed. In contrast to noncancerous mutations, mutation hot spots tend to result in significantly weaker changes of transmission properties. This suggests that charge transport could play a significant role for DNA-repairing deficiency yielding carcinogenesis.     

Investigation of energy and exergy performance on a small-scale refrigeration system with PCMs inserted between coil and wall of the evaporator cabin

Journal of Thermal Analysis and Calorimetry - Domestic refrigerators have become an indispensable part of the modern life. Since they are connected to the electric mains and operate throughout the...     

Solvent Effects in the Homogeneous Catalytic Reduction of Propionaldehyde with Aluminium Isopropoxide Catalyst: New Insights from PFG NMR and NMR Relaxation Studies

Solvent effects in homogeneous catalysis are known to affect catalytic activity. Whilst these effects are often described using qualitative features, such as Kamlet-Taft parameters, experimental tools able to quantify and reveal in more depth such effects have remained unexplored. In this work, PFG NMR diffusion and T₁ relaxation measurements have been carried out to probe solvent effects in the homogeneous catalytic reduction of propionaldehyde to 1-propanol in the presence of aluminium isopropoxide catalyst. Using data on diffusion coefficients it was possible to estimate trends in aggregation of different solvents. The results show that solvents with a high hydrogen-bond accepting ability, such as ethers, tend to form larger aggregates, which slow down the molecular dynamics of aldehyde molecules, as also suggested by T₁ measurements, and preventing their access to the catalytic sites, which results in the observed decrease of catalytic activity. Conversely, weakly interacting solvents, such as alkanes, do not lead to the formation of such aggregates, hence allowing easy access of the aldehyde molecules to the catalytic sites, resulting in higher catalytic activity. The work reported here is a clear example on how combining traditional catalyst screening in homogeneous catalysis with NMR diffusion and relaxation time measurements can lead to new physico-chemical insights into such systems by providing data able to quantify aggregation phenomena and molecular dynamics.     

Analytical comparison between the surface current integral equation and the second-order small-slope approximation

This paper is the third in a series discussing a new approximate bistatic model for electromagnetic scattering from perfectly conducting rough surfaces. Our previous approach supplemented the Kirchhoff model through the addition of new terms involving linear orders in slope and surface elevation differences that arise naturally from a second iteration of the surface current integral equation. This completion of the Kirchhoff was shown to provide the correct first-order small perturbation method (SPM-1) in the general bistatic context. The agreement with SPM-1 was achieved because differences of surface heights are no longer expanded in powers of surface slope. While consistent with SPM, our previous formulation fails to reconverge toward the Kirchhoff model, at some incidence and scattered angles, when the illuminated surface satisfies the high frequency roughness condition. This weakness is also shared with the first-order small slope approximation (SSA-1) which is structurally equivalent to our previous formulation where the polarization is independent of surface roughness. The second-order small slope approximation (SSA-2), which satisfies the SPM-1 and second-order small perturbation method (SPM-2) limits by construction, was shown by Voronovich to converge toward the tangent plane approximation of the Kirchhoff model under high frequency conditions. In the present paper, we show that, in addition to the linear orders in our previous model, one must now include cross-terms between slope and surface elevation to ensure convergence toward both high frequency and small perturbation limits. With the inclusion of these terms, our new formulation becomes comparable to the SSA-2 (second-order kernel) without the need to evaluate all the quadratic order slope and elevations terms. SSA-2 is more complete, however, in the sense that it guarantees convergence toward the second-order Bragg limit (SPM-2) in the fully dielectric case in addition to both SPM-1 and Kirchhoff. Our new generalization is shown to explain correctly extra depolarization in specular conditions to be caused by surface curvature and surface autocorrelation for incoherent and coherent scattering, respectively. This result will have large repercussions on the interpretation of bistatically reflected signals such as those from GPS.     

The weak tail dependence coefficient of the elliptical generalized hyperbolic distribution

The strong and the weak tail dependence coefficients are measures that quantify the probability of conjoint extreme events of two random variables. Whereas formulas for both tail dependence coefficients exist for the Gaussian and Student t distribution, only the strong tail dependence coefficient is known for their super-model, the elliptical generalized hyperbolic distribution, which is extremely popular in finance (see Schmidt 2003). In this work we derive a simple expression for the corresponding weak tail dependence coefficient using the mixture representation of the elliptical generalized hyperbolic distribution.