Chemically stable anode-supported solid oxide fuel cells based on Y-doped barium zirconate thin films having improved performance

Anode-supported solid oxide fuel cells (SOFCs) based on thin BaZr_0.8Y_0.2O_3 ? δ (BZY) electrolyte films were fabricated by pulsed laser deposition (PLD) on sintered NiO–BZY composite anodes. After in situ reduction of NiO to Ni, the anode substrates became porous, while retaining good adhesion with the electrolyte. A slurry-coated composite cathode made of La_0.6Sr_0.4Co_0.2Fe_0.8O_3 ? δ (LSCF) and BaCe_0.9Yb_0.1O_3 ? δ (BCYb), specifically developed for proton conducting electrolytes, was used to assemble fuel cell prototypes. Depositing by PLD 100 nm thick LSCF porous films onto the BZY thin films was essential to improve the cathode/electrolyte adhesion. A power density output of 110 mW/cm² at 600 °C, the largest reported value for an anode-supported fuel cell based on BZY at this temperature, was achieved. Electrochemical impedance spectroscopy (EIS) measurements were used to investigate the different contributions to the total polarization losses.     

A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acid

The phonon modes of crystalline benzoic acid have been investigated using terahertz time-domain spectroscopy, rigid molecule atom-atom model potential and plane-wave density functional theory lattice dynamics calculations. The simulation results show good agreement with the measured terahertz spectra and an assignment of the terahertz absorption features of benzoic acid is made with the help of both computational methods. Focussing on the strongest interactions in the crystal, we describe each vibration in terms of distortions of the benzoic acid hydrogen bonded dimers that are present in the crystal structure. The terahertz spectrum is also shown to be highly sensitive to the location of the carboxylic acid hydrogen atoms in the cyclic hydrogen-bonded dimers and we have systematically explored the influence of the observed disorder in the hydrogen atom positions on the lattice dynamics.     

Biradicaloid Character of Thiophene‐Based Heterophenoquinones: The Role of Electron–Phonon Coupling

The quinoidal versus biradicaloid character of the ground state of a series of thiophene‐based heterophenoquinones is investigated with quantum‐chemical calculations. The role of the ground‐state electronic character on molecular structure and vibrational properties is emphasized. The vibrational activities are experimentally determined and their analysis is performed by taking advantage of the definition of a collective vibrational coordinate (the

     

Elucidating the higher‐order structure of biopolymers by structural probing and mass spectrometry: MS3D

Chemical probing represents a very versatile alternative for studying the structure and dynamics of substrates that are intractable by established high‐resolution techniques. The implementation of MS‐based strategies for the characterization of probing products has not only extended the range of applicability to virtually all types of biopolymers but has also paved the way for the introduction of new reagents that would not have been viable with traditional analytical platforms. As the availability of probing data is steadily increasing on the wings of the development of dedicated interpretation aids, powerful computational approaches have been explored to enable the effective utilization of such information to generate valid molecular models. This combination of factors has contributed to making the possibility of obtaining actual 3D structures by MS‐based technologies (MS3D) a reality. Although approaches for achieving structure determination of unknown targets or assessing the dynamics of known structures may share similar reagents and development trajectories, they clearly involve distinctive experimental strategies, analytical concerns and interpretation paradigms. This Perspective offers a commentary on methods aimed at obtaining distance constraints for the modeling of full‐fledged structures while highlighting common elements, salient distinctions and complementary capabilities exhibited by methods used in dynamics studies. We discuss critical factors to be addressed for completing effective structural determinations and expose possible pitfalls of chemical methods. We survey programs developed for facilitating the interpretation of experimental data and discuss possible computational strategies for translating sparse spatial constraints into all‐atom models. Examples are provided to illustrate how the concerted application of very diverse probing techniques can lead to the solution of actual biological systems. Copyright © 2010 John Wiley & Sons, Ltd.     

Fast numerical solution of nonlinear nonlocal cochlear models

A fast full second order time-step algorithm for some recently proposed nonlinear, nonlocal active models for the inner ear is analyzed here. In particular, we emphasize the properties of discretized systems and the convergence of a hybrid direct-iterative solver for its approximate solution in view of the parameters of the continuous model. We found that the proposed solver is faster than standard sparse direct solvers for all the considered discrete models.Numerical tests confirm that the proposed techniques are crucial in order to get fast and reliable simulations.     

Parametric, external and self-excitation of a tower under turbulent wind flow

In this paper the analysis of a self-excited tower under turbulent wind flow is carried out. The structure is considered as a one dof nonlinear system, and the implications of this modeling are deeply discussed. The stationary wind is responsible for self-excitation, while the turbulent part provides both parametric and external excitations. The simultaneous presence of those excitations is taken into account in a specific resonance condition. The periodic and quasi-periodic solutions are studied by means of a perturbation method and the effects of the turbulence on the dynamics of the structure are analyzed.     

Chaos and unpredictability in evolutionary dynamics in discrete time

A discrete-time version of the replicator equation for two-strategy games is studied. The stationary properties differ from those of continuous time for sufficiently large values of the parameters, where periodic and chaotic behavior replace the usual fixed-point population solutions. We observe the familiar period-doubling and chaotic-band-splitting attractor cascades of unimodal maps but in some cases more elaborate variations appear due to bimodality. Also unphysical stationary solutions can have unusual physical implications, such as the uncertainty of the final population caused by sensitivity to initial conditions and fractality of attractor preimage manifolds.     

Improved measurement of the hydrogen 1S-2S transition frequency

We have measured the 1S-2S transition frequency in atomic hydrogen via two-photon spectroscopy on a 5.8 K atomic beam. We obtain f(1S-2S) = 2,466,061,413,187,035 (10) Hz for the hyperfine centroid, in agreement with, but 3.3 times better than the previous result [M. Fischer et al., Phys. Rev. Lett. 92, 230802 (2004)]. The improvement to a fractional frequency uncertainty of 4.2 × 10(-15) arises mainly from an improved stability of the spectroscopy laser, and a better determination of the main systematic uncertainties, namely, the second order Doppler and ac and dc Stark shifts. The probe laser frequency was phase coherently linked to the mobile cesium fountain clock FOM via a frequency comb.