A semi-analytical finite element formulation for modeling stress wave propagation in axisymmetric damped waveguides

A semi-analytical finite element (SAFE) method is presented for analyzing the wave propagation in viscoelastic axisymmetric waveguides. The approach extends a recent study presented by the authors, in which the general SAFE method was extended to account for material damping. The formulation presented in this paper uses the cylindrical coordinates to reduce the finite element discretization over the waveguide cross-section to a mono-dimensional mesh. The algorithm is validated by comparing the dispersion results with viscoelastic cases for which a Superposition of Partial Bulk Waves solution is known. The formulation accurately predicts dispersion properties and does not show any missing root. Applications to viscoelastic axisymmetric waveguides with varying mechanical and geometrical properties are presented.     

Crystal Structure of LiRh-type IrZn Determined by Powder X-ray and Selected Area Electron Diffraction

The LiRh-type crystal structure of the equiatomic intermetallic compound IrZn turns out to be a competitor to the otherwise energetically favored CsCl-type structures of congeneric transition metal zinc phases, thus enlightening the structural impact of element-specific factors beyond the Hume-Rothery concept.     

Status epilepticus affects the gigantocellular network of the pontine reticular formation

Background  

The impairment of the pontine reticular formation (PRF) has recently been revealed to be histopathologically connected with focal-cortical seizure induced generalized convulsive status epilepticus. To elucidate whether the impairment of the PRF is a general phenomenon during status epilepticus, the focal-cortical 4-aminopyridine (4-AP) application was compared with other epilepsy models. The presence of "dark" neurons in the PRF was investigated by the sensitive silver method of Gallyas in rats sacrificed at 3 h after focal 4-AP crystal or systemic 4-AP, pilocarpine, or kainic acid application. The behavioral signs of the developing epileptic seizures were scored in all rats. The EEG activity was recorded in eight rats.     

Structural flexibility and role of vicinal 2-thienyl rings in 2,3-dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)2Th2Pyz], its palladium(II) complex [(CN)2Th2Pyz(PdCl2)2], and the related pentametallic pyrazinoporphyrazines [(PdCl2)4Th8TPyzPzM] (M = Mg(II)(H2O), Zn(II))

The solid state and solution structure of 2,3-dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)(2)Th(2)Pyz], and its Pd(II) derivative, [(CN)(2)Th(2)Pyz(PdCl(2))(2)]·H(2)O, formed by reaction of [(CN)(2)Th(2)Pyz] with [(C(6)H(5)CN)(2)PdCl(2)] were characterized by X-ray, UV-visible, (1)H and (13)C NMR, and extended X-ray absorption fine structure (EXAFS) spectral measurements. The X-ray crystal structure of [(CN)(2)Th(2)Pyz] shows the presence of one thienyl ring positioned orthogonal to the rest of the molecule, with the two vicinal thienyl rings lying orthogonal to each other in a rare arrangement. NMR studies of [(CN)(2)Th(2)Pyz] in the solid state and in solutions of dimethylformamide or dimethyl sulfoxide confirm a nonequivalence of the thienyl rings in the solid state and also in solution. EXAFS results indicate that two distinct Pd(II) coordination sites are formed at the di(2-thienyl)pyrazino moiety of [(CN)(2)Th(2)Pyz(PdCl(2))(2)]·H(2)O, with identical Pd-N(pyz) (2.03(3) ?) and Pd-Cl (2.36(3) ?) bond lengths but with different Pd-S1 (2.25(4) ?) and Pd-S2 (3.21(5) ?) bond distances in an overall asymmetric molecular framework. Density functional theory (DFT) and time-dependent DFT (TDDFT) theoretical studies also provide information about the structure and spectral behavior of the precursor and its metalated Pd(II) derivative. (1)H/(13)C NMR and UV-visible spectral measurements were also carried out on two heteropentametallic porphyrazine macrocycles which were prepared by a reaction of PdCl(2) with [Th(8)TPyzPzM] where Th(8)TPyzPz = tetrakis-2,3-[5,6-di-(2-thienyl)-pyrazino]porphyrazinato dianion and M = Mg(II)(H(2)O) or Zn(II). Spectroscopic data on the newly synthesized [(PdCl(2))(4)Th(8)TPyzPzM] compounds suggest that the binding of PdCl(2) involves coordination sites of the type S(2(th))PdCl(2) with the two thienyl rings of each di(2-thienyl)pyrazino fragment bound to Pd(II) in an equivalent manner ("th-th" coordination). This is similar to what was found for the corresponding octapyridinated analogues ("py-py" coordination).     

Order-disorder at Fe sites in SrFe2/3B″1/3O3 (B″=Mo, W, Te, U) tetragonal double perovskites

We have prepared SrFe_2/3B″_1/3O₃ (B″=Mo, U, Te, and W) double perovskites in polycrystalline form by ceramic methods. Phases with B″=U, Te and W have been studied by X-ray powder diffraction and the results have been compared with neutron diffraction data available for B″=Mo. At room temperature, the stoichiometric samples crystallize in the tetragonal crystal system (space group I4/m, Z=4). Cell parameters when B″=U, Te and W are a=5.6936(1) Å, c=8.0637(1)Å; a=5.5776(1) Å, c=7.9144(3) Å and a=5.5707(3) Å, c=7.9081(5) Å, respectively.The Mössbauer spectra at room temperature for all compounds show hyperfine parameters belonging to two Fe³⁺ sites located at lattice positions with different degrees of distortion. This is in agreement with diffraction data that indicate that the series of compounds display different degrees of Fe-site disorder, which increases in the following sequence: Mo<U<Te<W.     

Experimental implementation of a concatenated quantum error-correcting code

Concatenated coding provides a general strategy to achieve the desired level of noise protection in quantum information processing. We report the implementation of a concatenated quantum error-correcting code able to correct phase errors with a strong correlated component. The experiment was performed using liquid-state nuclear magnetic resonance techniques on a four spin subsystem of labeled crotonic acid. Our results show that concatenation between active and passive quantum error correction is a practical tool to handle realistic noise involving both independent and correlated errors.     

Kinetic and thermodynamic acidities of pentacarbonyl(cyclobutenylidene)chromium complexes. Effect of antiaromaticity in the conjugate anion. An experimental and computational study

The deprotonation of pentacarbonyl[(3-diethylamino-2,4-dimethyl)cyclobut-2-ene-1-ylidene]chromium (1d) and pentacarbonyl[(3-diethylamino-4-methyl-2-phenyl)cyclobut-2-ene-1-ylidene]chromium (1e) leads to antiaromatic conjugate anions by virtue of their being cyclobutadiene derivatives. Rate constants for the deprotonation of 1d and 1e by P2-Et and pKa values were determined in acetonitrile. Gas-phase B3LYP calculations of 1d, 1e, and their respective conjugate anions, using a generalized basis set, were also performed. Furthermore, for purposes of comparison with carbene complexes of similar structures, but having conjugate anions that are not antiaromatic, corresponding calculations were performed on pentacarbonyl[3-diethylamino-2,5-dimethyl)cyclopent-2-ene-1-ylidene]chromium (5), [dimethylamino(methyl)carbene]pentacarbonylchromium (3a), and [dimethylamino(iso-propyl)carbene]pentacarbonylchromium (3b) and their respective conjugate anions, and solution-phase pKa and kinetic measurements were carried out for 3a and 3b. Major points of interest include the effect of antiaromaticity on the kinetic and thermodynamic acidities of 1d and 1e, the large effect of the phenyl group on the gas-phase acidity of 1e, the strong attenuation of the acidities and the effect of the phenyl group in acetonitrile, and the position of the C=C double bonds in the cyclobutadiene ring of the conjugate anion of 1e.