Electrospinning of complex oxide nanofibers

Electrospinning is a versatile process for drawing fibers of diverse materials including polymers, ceramics, and composites. We demonstrate here its application in the synthesis of complex ceramic oxide materials. The phase formation and morphology of BaTiO₃ nanofibers synthesized via electrospinning is investigated as a function of heat treatment conditions. Fully crystallized BaTiO₃ nanofibers with the perovskite structure are obtained after annealing at 750 °C and show an average grain size of about 30 nm. Tetragonal crystal structure of the fibers is indicated by XRD peak splitting (calculated c/a ratio=1.007), and confirmed by Raman spectroscopy. Furthermore, the advancement in heat treatment of the electrospun fibers yields single crystalline BaTiO₃ nanofibers with 50 nm in diameter and lengths up to 1 μm.     

Numerical study of a stochastic particle algorithm solving a multidimensional population balance model for high shear granulation

This paper is concerned with computational aspects of a multidimensional population balance model of a wet granulation process. Wet granulation is a manufacturing method to form composite particles, granules, from small particles and binders. A detailed numerical study of a stochastic particle algorithm for the solution of a five-dimensional population balance model for wet granulation is presented. Each particle consists of two types of solids (containing pores) and of external and internal liquid (located in the pores). Several transformations of particles are considered, including coalescence, compaction and breakage. A convergence study is performed with respect to the parameter that determines the number of numerical particles. Averaged properties of the system are computed. In addition, the ensemble is subdivided into practically relevant size classes and analysed with respect to the amount of mass and the particle porosity in each class. These results illustrate the importance of the multidimensional approach. Finally, the kinetic equation corresponding to the stochastic model is discussed.     

Thermal stability of the cubic phase in Ba0.5Sr0.5Co0.8Fe0.2O3 - δ (BSCF)1

Ba_0.5Sr_0.5Co_0.8Fe_0.2O_3 - δ (BSCF) is a material with excellent oxygen ionic and electronic transport properties reported by many research groups. In its cubic phase, this mixed ionic-electronic conducting (MIEC) perovskite is a promising candidate for oxygen permeation membranes. For this application, its long-term stability under operating conditions (especially temperature and oxygen partial pressure) is of crucial importance.The present work is focused on the thermal stability of the BSCF cubic phase in the targeted temperature range for applications (700…900 °C) in light of previous studies in literature reporting a reversible transition to a hexagonal phase somewhere below 900 °C.To this end, single phase cubic BSCF powders were annealed at different temperatures over varying periods of time. Phase composition was subsequently analysed by X-ray diffractometry (XRD) in order to determine both the temperature limit and the time-scale for the formation of the hexagonal phase. Additionally, the long-term behaviour of the electrical conductivity was examined on bulk samples at 700 °C, 800 °C and 900 °C over several hundreds of hours, showing a prolonged decrease at 800 °C. The decrease in electrical conductivity at this temperature was also examined on bulk samples with different grain sizes, showing a more pronounced decrease the smaller the average grain size.Coexistence of both phases (cubic and hexagonal) could also be shown for 700 °C, however with a different phase equilibrium than at 800 °C.     

Optical and microstructural properties of self-assembled InAs quantum structures in silicon

The InAs quantum structures were formed in silicon by sequential ion implantation and subsequent thermal annealing. Two kinds of crystalline InAs nanostructures were successfully synthesized: nanodots (NDs) and nanopyramids (NPs). The peaks at 215 and 235 cm^?1, corresponding to the transverse optical (TO) and longitudinal optical (LO) InAs single-phonon modes, respectively, are clearly visible in the Raman spectra. Moreover, the PL band at around 1.3 µm, due to light emission from InAs NDs with an average diameter 7±2 nm, was observed. The InAs NPs were found only in samples annealed for 20 ms at temperatures ranging from 1000 up to 1200°C. The crystallinity and pyramidal shape of InAs quantum structures were confirmed by HRTEM and XRD techniques. The average size of the NPs is 50 nm base and 50 nm height, and they are oriented parallel to the Si (001) planes. The lattice parameter of the NPs increases from 6.051 to 6.055 Å with the annealing temperature increasing from 1100 to 1200°C, due to lattice relaxation. Energy dispersive spectroscopy (EDS) shows almost stoichiometric composition of the InAs NPs.     

Phonon density of states and compression behavior in iron sulfide under pressure

We report the partial phonon densities of states (DOS) of iron sulfide, a possible component of the rocky planet's core, measured by the 57Fe nuclear resonant inelastic x-ray scattering and calculate the total phonon DOS under pressure. From the phonon DOS, we drive thermodynamic parameters. A comparison of the observed and estimated compressibilities makes it clear that there is a large pure electronic contribution in the observed compressibility in the metallic state. Our results present the observation of thermodynamic parameters of iron sulfide with the low-spin state of an Fe2+ ion at the high density, which is similar to the condition of the Martian core.     

Shear viscosity of the Quark–Gluon Plasma from a virial expansion

We calculate the shear viscosity η in the quark–gluon plasma (QGP) phase within a virial expansion approach with particular interest in the ratio of η to the entropy density s, i.e. η/s. The virial expansion approach allows us to include the interactions between the partons in the deconfined phase and to evaluate the corrections to a single-particle partition function. In the latter approach we start with an effective interaction with parameters fixed to reproduce thermodynamical quantities of QCD such as energy and/or entropy density. We also directly extract the effective coupling α _V for the determination of η. Our numerical results give a ratio η/s≈0.097 at the critical temperature T _c, which is very close to the theoretical bound of 1/(4π). Furthermore, for temperatures T≤1.8T _c the ratio η/s is in the range of the present experimental estimates 0.1–0.3 at RHIC. When combining our results for η/s in the deconfined phase with those from chiral perturbation theory or the resonance-gas model in the confined phase we observe a pronounced minimum of η/s close to the critical temperature T _c.     

Temporal weights in the level discrimination of time-varying sounds

To determine how listeners weight different portions of the signal when integrating level information, they were presented with 1-s noise samples the levels of which randomly changed every 100 ms by repeatedly, and independently, drawing from a normal distribution. A given stimulus could be derived from one of two such distributions, a decibel apart, and listeners had to classify each sound as belonging to the "soft" or "loud" group. Subsequently, logistic regression analyses were used to determine to what extent each of the ten temporal segments contributed to the overall judgment. In Experiment 1, a nonoptimal weighting strategy was found that emphasized the beginning, and, to a lesser extent, the ending of the sounds. When listeners received trial-by-trial feedback, however, they approached equal weighting of all stimulus components. In Experiment 2, a spectral change was introduced in the middle of the stimulus sequence, changing from low-pass to high-pass noise, and vice versa. The temporal location of the stimulus change was strongly weighted, much as a new onset. These findings are not accounted for by current models of loudness or intensity discrimination, but are consistent with the idea that temporal weighting in loudness judgments is driven by salient events.     

Bayesian estimation of Karplus parameters and torsion angles from three-bond scalar couplings constants

We apply Bayesian inference to analyze three-bond scalar coupling constants in an objective and consistent way. The Karplus curve and a Gaussian error law are used to model scalar coupling measurements. By applying Bayes' theorem, we obtain a probability distribution for all unknowns, i.e., the torsion angles, the Karplus parameters, and the standard deviation of the Gaussian. We infer all these unknowns from scalar coupling data using Markov chain Monte Carlo sampling and analytically derive a probability distribution that only involves the torsion angles.     

Some Characterizations of Ergodic Probability Measures

Let P be a Markov kernel defined on a measurable space (X, ??). A P-ergodic probability is an extreme point of the family of all P-invariant probability measures on ??. Several characterizations of P-ergodic probabilities are given. In particular, for the special case of a topological space X both P-ergodic Baire probabilities and P-ergodic Borel probabilities with additional regularity properties are characterized.