Solar modulation of cosmic deuteron fluxes in the PAMELA experiment

The preliminary results from measurements of deuteron fluxes in galactic cosmic rays (GCR) in the vicinity of the Earth in 2006–2009 are presented. The results are obtained by analyzing data from the PAMELA experiment aboard the Resurs DK-1 satellite. High-precision detection instruments provided an opportunity to identify GCR deuterons and measure their spectrum in the energy interval of 90–650MeV/nucleon. Spectra averaged over six-month intervals from the summer of 2006 to the summer of 2009 (the solar activity minimum) are presented. The influence of solar modulation on the observed spectrum is clearly seen in the results.     

New results on the semidiscrete Boltzmann equation for a binary gas mixture

Summary A plane semidiscrete model of the Boltzmann equation for a binary gas mixture with molecular collisions ruled by the hard-spheres interaction potential is described. After establishing a model, a theorem demostrating the global existence of mild solutions of the initial-value problem is given and the propagation of unidimensional shock waves examined.

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Sommario Si propone un modello semidiscreto piano dell'equazione di Boltzmann per una miscela binaria con collisioni molecolari soggette al potenziale di interazione delle sfere rigide. Costruito il modello, si dà un teorema di esistenza globale di soluzioni generalizzate per il problema di Cauchy, e si analizza la propagazione di onde d'urto unidimensionali.

     

Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach

A benchmark biochemical reaction is here theoretically investigated by means of a perturbative approach in order to model each reaction step. The reaction is the flavin-indole electron transfer, involving also a spin-state relaxation of the ionic complex. The whole reaction path is modeled and the kinetics of the process is studied. The dipolar interaction between the two radicals is explicitly considered during the dynamic evolution of the system in order to investigate the proper conditions for the triplet-to-singlet transition to occur.     

A novel derivation of collision theory rate constants for a bimolecular reaction

A novel exact derivation for the kinetic constant of a bimolecular reaction according to three well-known models of collision theory is reported. The use of probability density functions, with the introduction of a novel geometry to study the collision process, allows simplifying the derivation to such an extent, that, for a proper statistical background, it is is possible to recover the line-of-centers and the angular dependent line-of-centers models in no more than a couple of lectures. Although the derivation is introduced to recover the temperature-dependent kinetic constant, it is shown that the energy-dependent reactive cross section can be recovered as well. A possible confusion in the interpretation of the pre-exponential factor is commented.     

Blocking sets and semifields

We find a relationship between semifield spreads of PG(3,q), small Rédei minimal blocking sets of PG(2,q²), disjoint from a Baer subline of a Rédei line, and translation ovoids of the hermitian surface H(3,q²).     

Similar Structural Dynamics for the Degradation of CH3NH3PbI3 in Air and in Vacuum

We investigate the degradation path of MAPbI₃ (MA=methylammonium) films over flat TiO₂ substrates at room temperature by means of X‐ray diffraction, spectroscopic ellipsometry, X‐ray photoelectron spectroscopy, and high‐resolution transmission electron microscopy. The degradation dynamics is found to be similar in air and under vacuum conditions, which leads to the conclusion that the occurrence of intrinsic thermodynamic mechanisms is not necessarily linked to humidity. The process has an early stage, which drives the starting tetragonal lattice in the direction of a cubic atomic arrangement. This early stage is followed by a phase change towards PbI₂. We describe how this degradation product is structurally coupled with the original MAPbI₃ lattice through the orientation of its constituent PbI₆ octahedra. Our results suggest a slight octahedral rearrangement after volatilization of HI+CH₃NH₂ or MAI, with a relatively low energy cost. Our experiments also clarify why reducing the interfaces and internal defects in the perovskite lattice enhances the stability of the material.     

Hydrogen–hydrogen bonding: The current density perspective

Current density plots of closed‐shell intermolecular H? H interactions characterized by a bond critical point (BCP) show two vortices separated by a saddle, a pattern which allows for a clear definition of a pair current strength. This H? H current strength turns out to be roughly related to the potential energy density at the BCP and then to the dissociation energy. The same pattern is also recognizable, at least for an azimuthal orientation of a field perpendicular to the H? H line, for the intramolecular interactions previously investigated to propose the H? H bonding. In the case of the H atoms of the bay region of polycyclic aromatic hydrocarbons, the current of the H? H delocalized diatropic vortex gives a quantitative indication of stabilization; however, on rotation of the field and the subsequent onset of a bay‐delocalized paratropic vortex (a typical signature of antiaromaticity), the diatropic vortex can be reshaped or it can even disappear, consistently with its smallness, and thus showing the effect of other more relevant interactions. © 2015 Wiley Periodicals, Inc.     

Communication: are metallic glasses different from other glasses? A closer look at their high frequency dynamics

Using high resolution inelastic x-ray scattering we studied the collective dynamics of the Pd(77)Si(16.5)Cu(6.5) metallic glass, focusing on the energy-momentum region where the boson peak appears. The dispersion relation and the width of the acoustic excitations are determined showing how the longitudinal acoustic modes maintain their dispersive character for frequencies well above the boson peak frequencies. Moreover, we prove that close to these frequencies there is a softening of the apparent sound speed indicating a failure of the Debye continuum approximation at the boson peak frequencies and challenging previous results on other metallic glasses.     

Measurement of heterogeneous reaction rates: three strategies for controlling mass transport and their application to indium-mediated allylations

We describe three new strategies for determining heterogeneous reaction rates using photomicroscopy to measure the rate of retreat of metal surfaces: (i) spheres in a stirred solution, (ii) microscopic powder in an unstirred solution, and (iii) spheres on a rotating shaft. The strategies are applied to indium-mediated allylation (IMA), which is a powerful tool for synthetic chemists because of its stereoselectivity, broad applicability, and high yields. The rate-limiting step of IMA, reaction of allyl halides at indium metal surfaces, is shown to be fast, with a minimum value of the heterogeneous rate constant of 1 × 10(-2) cm/s, an order of magnitude faster than the previously determined minimum value. The strategies described here can be applied to any reaction in which the surface is retreating or advancing, thereby broadening the applicability of photomicroscopy to measuring heterogeneous reaction kinetics.