An improved mixed numerical-experimental method for stress field calculation

In this work a numerical-experimental method is used to study the dynamic behavior of an aluminum plate subjected to a small mass impact. The out-of-plane displacements, due to transient bending wave propagation, were assessed for successive time instants, using double pulse TV-holography, also known as pulsed ESPI. The experimental setup and the image processing methods were improved to allow the calculation of the plate transient stress field. Integral transforms are used to obtain the strain fields from spatial derivatives of displacements noisy data. A numerical simulation of the plate transient response was carried out with FEM Ansys^®. For this purpose a PZT transducer was used to record the impact force history, which was inputted in the numerical model. Finally, the comparisons between numerical and experimental results are presented in order to validate the present methodology.     

Activity Coefficients of Potassium Chloride in Water–Ethanol Mixtures

Activity coefficients of KCl were determined in water–ethanol solvents in the range 5–20% (w/w) ethanol, from experimental electromotive force (emf) data. The molalities varied from 0.1 mol-kg^–1 to near saturation and measurements were taken in the temperature range 25 to 45°C. The Pitzer model was used to describe the nonideal behavior of the electrolyte and the corresponding coefficients were determined for each solvent. The Pitzer–Simonson equations were also applied and found superior in the study of KCl in those nonaqueous solutions.     

Thionicotinamide SAM on Gold: Adsorption Studies and Electroactivity

STM and impedance results of the self‐assembled monolayer (SAM) formed with thionicotinamide (TNA) on gold indicate the presence of defects that increase with the immersion time of the electrode in the TNA solution affecting the SAM electroactivity toward the electron transfer reaction of the cytochrome c metalloprotein and [Fe(CN)₆]^4? and [Ru(NH₃)₆]³⁺ complexes. It was observed that this electroactivity was also affected by the pH of the electrolyte solution. SERS and STM data indicate sulfur coordination to the surface with contribution of the NH₂ group. From the dependence of the TNA surface coverage on the temperature and concentration in solution, thermodynamic parameters of adsorption were determined.     

Cross-sections for rotational excitations of C3H4 isomers by electron impact

We report elastic (rotationally summed) and rotationally resolved cross-sections for scattering of low-energy electrons by the C₃H₄ isomers allene, propyne, and cyclopropene, which belong to the D_2d, C_3v, and C_2v groups, respectively. We employed the Schwinger multichannel method with pseudopotentials at the static-exchange approximation, combined with the adiabatic-nuclei-rotation (ANR) approximation to calculate the rotational excitation cross-sections for energies ranging from 5 to 30 eV. Our rotational resolved cross-sections show the isomer effect more strongly related to scattering potentials of different molecular geometries and to transition selection rules than to differences in mass distribution which account for the energy spacing in the rotational spectra of the molecules.     

Multiple response optimization: a global criterion‐based method

Processes and products have by nature many quality characteristics that must be in some sense optimized simultaneously. With this aim, a method which can be used easily and efficiently by practitioners for optimizing multi‐response problems is proposed. Implementation steps and considerations, in addition to optimization measures to assess method's solutions and guide the analyst in finding an effective compromise solution, are also presented. Three classical examples from the literature are used to assess the performance of several prominent methods in the response surface methodology (RSM) framework and help practitioners make a better‐informed choice among them. Copyright © 2010 John Wiley & Sons, Ltd.     

Formic and acetic acids in a nitrogen matrix: Enhanced stability of the higher-energy conformer

Formic acid (HCOOH, FA) and acetic acid (CH(3)COOH, AA) are studied in a nitrogen matrix. The infrared (IR) spectra of cis and trans conformers of these carboxylic acids (and also of the HCOOD isotopologue of FA) are reported and analyzed. The higher-energy cis conformer of these molecules is produced by narrowband near-IR excitation of the more stable trans conformer, and the cis-to-trans tunneling decay is evaluated spectroscopically. The tunneling process in both molecules is found to be substantially slower in a nitrogen matrix than in rare-gas matrices, the cis-form decay constants being approximately 55 and 600 times smaller in a nitrogen matrix than in an argon matrix, for FA and AA respectively. The stabilization of the higher-energy cis conformer is discussed in terms of specific interactions with nitrogen molecule binding with the OH group of the carboxylic acid. This model is in agreement with the observed differences in the IR spectra in nitrogen and argon matrices, in particular, the relative frequencies of the νOH and τCOH modes and the relative intensities of the νOH and νC=O bands.     

Preparation of the Ca–diclofenac complex in solid state

Two ONNO type naphtaldehyde derivative Schiff base compounds were reduced and two symmetric phenol-amine ligands containing naphthalene groups were obtained; bis-N,N′[(2-hydroxy-1-naphtyl) methyl]-1,3-propanediamine (NAFL^H) and bis-N,N′[(2-hydroxy-1-naphtyl) methyl]-2,2′-dimetyhyl-1,3-propanediamine (NAFLDM^H). Homotrinuclear Ni(II) complexes of these ligands were prepared. The solid-state molecular structures of representative nickel complex of NAFLDM^H were determined using single crystal X-ray diffraction analysis. The terminal Ni(II) ions were found to be situated in between the donor atoms of the organic ligand. The central Ni(II) ion was observed to be bonded via two different μ-bridges. The phenolic oxygens and carboxylate ion were seen to form two different μ-bridges. TG analysis proved that the compounds have different thermal characteristics than those cited in literature. The complexes showed extreme exothermic degradation reactions in inert atmosphere. The complexes are ruptured with a two stepped exothermic reaction which appears huge heat over 300 °C. The heat appeared in O₂ atmosphere is observed to be higher than the heat appeared in inert atmosphere. Revealed heat is observed to be higher than the conventional explosive materials.     

Glass-forming ability of butanediol isomers

In this study, the thermal behavior of butanediol isomers is investigated for temperatures ranging from 103 to 303 K using differential scanning calorimetry, complemented, when necessary, by polarized light thermal microscopy. The butanediol isomers display quite different thermal behaviors: for 1,2- and 1,3-isomers, glass transition is the only thermal event observed; for 1,4-butanediol, crystallization occurs on cooling even at a high scanning rate and no glass formation was detected; and for the 2,3-isomer, glass or crystal formation is dependent on the experimental conditions employed. The glass-forming ability of the isomers is correlated with data available on their molecular symmetry.     

Dark matter results from 100 live days of XENON100 data

We present results from the direct search for dark matter with the XENON100 detector, installed underground at the Laboratori Nazionali del Gran Sasso of INFN, Italy. XENON100 is a two-phase time-projection chamber with a 62 kg liquid xenon target. Interaction vertex reconstruction in three dimensions with millimeter precision allows the selection of only the innermost 48 kg as the ultralow background fiducial target. In 100.9 live days of data, acquired between January and June 2010, no evidence for dark matter is found. Three candidate events were observed in the signal region with an expected background of (1.8 ± 0.6) events. This leads to the most stringent limit on dark matter interactions today, excluding spin-independent elastic weakly interacting massive particle (WIMP) nucleon scattering cross sections above 7.0 × 10(-45) cm(2) for a WIMP mass of 50 GeV/c(2) at 90% confidence level.