Modification of radiation pressure due to cooperative scattering of light

Cooperative spontaneous emission of a single photon from a cloud of N atoms modifies substantially the radiation pressure exerted by a far-detuned laser beam exciting the atoms. On one hand, the force induced by photon absorption depends on the collective decay rate of the excited atomic state. On the other hand, directional spontaneous emission counteracts the recoil induced by the absorption. We derive an analytical expression for the radiation pressure in steady-state. For a smooth extended atomic distribution we show that the radiation pressure depends on the atom number via cooperative scattering and that, for certain atom numbers, it can be suppressed or enhanced. Cooperative scattering of light by extended atomic clouds can become important in the presence of quasi-resonant light and could be addressed in many cold atoms experiments.

The effect of core electrons in e(+)-Na scattering

The scattering of positrons off sodium targets has been investigated using the coupled static model. The sodium atom is represented by the one-active-electron model in which all the electrons of the target have been considered explicitly and the loosely bound valence electron is only involved in transitions. The scattering parameters are presented at low and medium energies. Appreciable differences are noticed between the present results and those obtained by the one-electron model with and without the core potential.

Effect of electron exchange in positronium-hydrogen scattering

The elastic and inelastic scattering of ortho-positronium (Ps) by the hydrogen atom have been investigated using a three-Ps-state close-coupling approximation. The higher (n greater than or equal to 3) excitations and ionization of the Ps atom are treated within the framework of the Born approximation. In both cases the effect of electron exchange has been included by a parameter-free nonlocal model potential derived from an antisymmetrization of the wavefunction followed by the removal of nonorthogonality. Calculations are reported of scattering lengths,phase shifts, and of elastic, Ps excitation, and total cross sections. The trend of present target elastic total cross section agrees qualitatively with available experimental results on Ps-impact scattering.

LARGE ATOMIC and NUCLEAR THREE-BODY SYSTEMS: SCATTERING and BINDING

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

Neutron-C-19 scattering near an Efimov state

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

Positronium-alkali-ion scattering in the close-coupling approximation

We present results for low- and medium-energy elastic and capture cross sections for positronium-atom-alkali-ion scattering using the coupled static close-coupling approximation.

THE EFFECT OF POSITRONIUM FORMATION IN E(+)-LI AND E(+)-NA SCATTERING

We studied e+-Li and e+-Na scattering using the close-coupling approximation in the static and coupled static expansion schemes. The effect of the positronium formation on the elastic channel is found to be strong in both cases. In the case of the lithium atom the effect is dramatic; the inclusion of the positronium formation channel transforms the purely repulsive effective e+-Li S wave (static) potential to a predominantly attractive (coupled static) potential. In this case, in the static model delta(0)-delta(infinity) = 0, whereas in the coupled static model delta(0)-delta(infinity)=pi. According to Levinson's theorem this suggests the presence of a S wave bound or continuum bound state in the e+-Li system.

Small angle X-ray scattering and IR spectroscopy study of metal carbonyl complexes immobilized on a silica gel surface chemically modified with piperazine

The carbonyl complexes [WCl(CO)(3)(bipy) (HgCl)] (1), [Fe(CO)(4)(HgCl)(2)] (2) and W(CO)(6)] (3) were immobilized on a silica gel surface organofunctionalized with piperazine groups. The products obtained were studied by IR spectroscopy and small angle X-ray scattering (SAXS) techniques. The IR data show that the immobilization of heterobimetallic compounds 1 and 2, on the functionalized surface, occurred through the mercury atom, while for 3 the displacement of one CO group by the nitrogen of a piperazine molecule was observed. The data obtained from SAXS indicate that particles have a uniform size and reveal suitable modifications on the functionalized surface after immobilization of metal carbonyl complexes. The average intermolecular distance (l(ij)) for piperazine ligands on support is 8.7 Angstrom, for the metal carbonyl complex 1 it is 18.8 Angstrom, for complex 2 it is 16.2 Angstrom and for complex 3 it is 15.3 Angstrom. Copyright (C) 1996 Elsevier B.V. Ltd

Quenching of para-H-2 with an ultracold antihydrogen atom (H)over-bar(1s)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Low-energy correlations in the positronium-hydrogen-atom system

Employing a nonlocal model potential for electron exchange we study positronium-hydrogen-atom (Ps-H) scattering using a five-state coupled-channel model allowing for Ps(2s,2p)H(1s) and Ps(1s)H(2s,2p) excitations. We find remarkable correlations among S-wave Ps-H binding energy, scattering length, effective range, and resonance energy in the electronic singlet state. Using these correlations we predict fairly accurate values of singlet Ps-H scattering length (3.50a0) and effective range (1.65a0).

Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations

Multifunctional enzyme engineering can improve enzyme cocktails for emerging biofuel technology. Molecular dynamics through structure-based models (SB) is an effective tool for assessing the tridimensional arrangement of chimeric enzymes as well as for inferring the functional practicability before experimental validation. This study describes the computational design of a bifunctional xylanase-lichenase chimera (XylLich) using the xynA and bglS genes from Bacillus subtilis. In silico analysis of the average solvent accessible surface area (SAS) and the root mean square fluctuation (RMSF) predicted a fully functional chimera, with minor fluctuations and variations along the polypeptide chains. Afterwards, the chimeric enzyme was built by fusing the xynA and bglS genes. XylLich was evaluated through small-angle X-ray scattering (SAXS) experiments, resulting in scattering curves with a very accurate fit to the theoretical protein model. The chimera preserved the biochemical characteristics of the parental enzymes, with the exception of a slight variation in the temperature of operation and the catalytic efficiency (k cat/Km). The absence of substantial shifts in the catalytic mode of operation was also verified. Furthermore, the production of chimeric enzymes could be more profitable than producing a single enzyme separately, based on comparing the recombinant protein production yield and the hydrolytic activity achieved for XylLich with that of the parental enzymes. © 2013 Elsevier B.V. All rights reserved.

Positron scattering from methane

We report on measurements of total cross sections for positron scattering from the fundamental organic molecule methane (CH(4)). The energy range of these measurements was 0.1-50 eV, whereas the energy resolution was similar to 100 meV when our Ni moderator was used and similar to 260 meV when the W moderator was employed. To assist us in interpreting these data, Schwinger multichannel calculations were performed at both static and static plus polarization levels of approximation for elastic positron scattering from 0.001 to 10 eV. These calculations are found to be in quite good qualitative agreement with our measured data, and they clearly educe the crucial role played by the target polarization in the low energy positron-CH(4) scattering dynamics.

Functionalization of gold and silver nanoparticles with diphenyl dichalcogenides probed by surface enhanced Raman scattering

This paper describes a surface-enhanced Raman scattering (SERS) systematic investigation regarding the functionalization of gold (Au) and silver (Ag) nanoparticles with diphenyl dichalcogenides, i.e. diphenyl disulfide, diphenyl diselenide, and diphenyl ditelluride. Our results showed that, in all cases, functionalization took place with the cleavage of the chalcogenchalcogen bond on the surface of the metal. According to our density functional theory calculations, the molecules assumed a tilted orientation with respect to the metal surface for both Au and Ag, in which the angle of the phenyl ring relative to the metallic surface decreased as the mass of the chalcogen atom increased. The detected differences in the ordinary Raman and SERS spectra were assigned to the distinct stretching frequencies of the carbonchalcogen bond and its relative contribution to the ring vibrational modes. In addition, the SERS spectra showed that there was no significant interaction between the phenyl ring and the surface, in agreement with the tilted orientation observed from our density functional theory calculations. The results described herein indicate that diphenyl dichalcogenides can be successfully employed as starting materials for the functionalization of Au nanoparticles with organosulfur, organoselenium, and organotellurium compounds. On the other hand, diphenyl disulfide and diphenyl diselenide could be employed for the functionalization of Ag nanoparticles, while the partial oxidation of the organotellurium unit could be detected on the Ag surface. Copyright (C) 2011 John Wiley & Sons, Ltd.

Calculations of the spectral shifts and line profiles of alkaline earth atoms in liquid helium environment

Liquid configurations generated by Metropolis Monte Carlo simulations are used in time-dependent density functional theory calculations of the spectral line shifts and line profiles of the lowest lying excitation of the alkaline earth atoms, Be, Mg, Ca, Sr and Ba embedded in liquid helium. The results are in very good agreement with the available experimental data. Special attention is given to the calculated spectroscopic shift and the associated line broadening. The analysis specifies the inhomogeneous broadening of the three separate contributions due to the splitting of the s -> p transition of the alkaline earth atom in the liquid environment. (C) 2012 Elsevier B. V. All rights reserved.

Optical interface based on a nanofiber atom-trap

In this thesis, I present the realization of a fiber-optical interface using optically trapped cesium atoms, which is an efficient tool for coupling light and atoms. The basic principle of the presented scheme relies on the trapping of neutral cesium atoms in a two-color evanescent field surrounding a nanofiber. The strong confinement of the fiber guided light, which also protrudes outside the nanofiber, provides strong confinement of the atoms as well as efficient coupling to near-resonant light propagating through the fiber. In chapter 1, the necessary physical and mathematical background describing the propagation of light in an optical fiber is presented. The exact solution of Maxwell’s equations allows us to model fiber-guided light fields which give rise to the trapping potentials and the atom-light coupling in the close vicinity of a nanofiber. Chapter 2 gives the theoretical background of light-atom interaction. A quantum mechanical model of the light-induced shifts of the relevant atomic levels is reviewed, which allows us to quantify the perturbation of the atomic states due to the presence of the trapping light-fields. The experimental realization of the fiber-based atom trap is the focus of chapter 3. Here, I analyze the properties of the fiber-based trap in terms of the confinement of the atoms and the impact of several heating mechanisms. Furthermore, I demonstrate the transportation of the trapped atoms, as a first step towards a deterministic delivery of individual atoms. In chapter 4, I present the successful interfacing of the trapped atomic ensemble and fiber-guided light. Three different approaches are discussed, i.e., those involving the measurement of either near-resonant scattering in absorption or the emission into the guided mode of the nanofiber. In the analysis of the spectroscopic properties of the trapped ensemble we find good agreement with the prediction of theoretical model discussed in chapter 2. In addition, I introduce a non-destructive scheme for the interrogation of the atoms states, which is sensitive to phase shifts of far-detuned fiber-guided light interacting with the trapped atoms. The inherent birefringence in our system, induced by the atoms, changes the state of polarization of the probe light and can be thus detected via a Stokes vector measurement.