Introduction of a nonlinearity measure for principal component models

Although principal component analysis (PCA) is an important tool in standard multivariate data analysis, little interest has been devoted to assessing whether the underlying relationship within a given variable set can be described by a linear PCA model or whether nonlinear PCA must be utilized. This paper addresses this deficiency by introducing a nonlinearity measure for principal component models. The measure is based on the following two principles: (i) the range of recorded process operation is divided into smaller regions; and (ii) accuracy bounds are determined for the sum of the discarded eigenvalues. If this sum is within the accuracy bounds for each region, the process is assumed to be linear and vice versa. This procedure is automated through the use of cross-validation. Finally, the paper shows the utility of the new nonlinearity measure using two simulation studies and with data from an industrial melter process.     

Growth and formation mechanism of sea urchin-like ZnO nanostructures on Si

Sea urchin-like nanostructures of ZnO consisting of ZnO nanowires with blunt faceted ends were grown on Si (100) substrates by oxidation of metallic Zn at 600 °C. ZnO nanowires having a diameter of 30–60 nm and length of 2–4 Μm were in similar shape with uniform diameter along its entire length with well faceted blunt ends. X-ray diffraction and transmission electron microscope analysis showed that the as-grown nanostructures were highly crystalline with wurtzite hexagonal structure having lattice constants of a=b=3.25 å and c=5.21 å. Room temperature photoluminescence (PL) measurements showed a weak near band-edge emission at 380 nm, but a strong green emission at 500–530 nm. A model for vapor-solid (VS) growth mechanism of ZnO nanowires was presented, in which nucleation of ZnO is crucial for the growth of the nanostructures.     

Migration characteristics of some chemical species in a granite fracture according to their chemical properties

Migration experiments were carried out in artificial rock fractures of 50×50 cm scale in order to understand the transport phenomena of contaminants in deep geological environment. The tracers used in this experiments were tritiated water, anion, polymers, and sorbing cations. The experimental study was focused on the interpretation of the retardation and matrix diffusion of the tracer in the fracture. To visualize migration phenomena, an organic dye, eosine, was used as a tracer. The migration plumes were taken with a digital camera as a function of time and stored as a digital image file. Computer simulation was performed not only for the hydraulic behavior such as distributions of pressure and flow vectors in the fracture but also for the migration plume and the elution curves. These simulation results were interpreted by comparing experimental ones, thus providing a way to understand migration behavior of tracers and interaction between rock and chemical species.     

Effect of Coarse-Powder Portion on Abnormal Grain Growth during Hot Pressing of Commercial-Purity Alumina Powder

By classification, two powder portions, one consisting of coarse particles and the other consisting of fine particles, were separated from a MgO-doped (1000 ppm) commercial-purity Al₂O₃ powder. Examinations of microstructure evolution during hot pressing showed that extensive abnormal grain growth occurred for the coarse portion. For the fine portion, although there was an indication that grain-size distribution deviated from normal distribution on prolonged hot pressing, such extensive abnormal grain growth did not occur. Extensive abnormal grain growth also occurred when the coarse portion was mixed into a high-purity powder that exhibited no abnormal grain growth alone. Chemical analyses revealed that the coarse portion contained the higher concentration of impurities but lower concentration of magnesium than the fine portion. It was discussed that particle aggregates in the coarse portion might have been responsible for the higher concentration of impurities but lower concentration of magnesium and, thus, for the extensive abnormal grain growth.     

Hydroxyl‐functional polyurethanes and polyesters: synthesis,properties and potential biomedical application

This mini review gives an overview of the synthesis of polyurethanes and polyesters with pendant hydroxyl groups performed mainly in our group. Significant for the synthesis of most of these polymers with hydroxyl‐functional side groups is that no protection groups are needed. This is realised either by generating the OH group during polymer synthesis—demonstrated by the preparation of hydroxyl‐functional polyurethanes from dicarbonate monomers and diamines—or by using catalysts which discriminate between primary and secondary OH groups—demonstrated by the synthesis of hydroxyl‐functional polyesters based on malic acid using scandium triflate as catalyst. In addition, the potential of carbonate couplers for the synthesis of multifunctional polyurethane is presented. The application of such multifunctional polyurethanes as antimicrobial polymers and coatings is briefly discussed. Copyright © 2012 Society of Chemical Industry     

Halogen plasma erosion resistance of rare earth oxide films deposited on plasma sprayed alumina coating by aerosol deposition

Dense yttria, erbia and dysprosia films with thicknesses of 44.8 ± 1.7, 51.6 ± 0.9 and 36.8 ± 3.1 μm, respectively, were deposited on plasma sprayed alumina coating by aerosol deposition (AD). The rare earth oxide films remarkably enhanced the erosion resistance of the plasma sprayed alumina coating upon exposure to the halogen gas plasma. The enhanced plasma erosion resistances were related to their low surface porosity as well as the low vapor pressures of the rare earth fluorides and chlorides compared with those of corresponding aluminum halogenides. Electrical breakdown voltages of the samples with yttria, erbia and dysprosia films on the plasma sprayed alumina coating were 5.5, 6.2 and 5.3 kV, respectively, at room temperature and 4.0, 4.2 and 3.9 kV, respectively, at 573 K. The breakdown voltages at RT and 573 K were more than double that of the plasma sprayed alumina coating without the AD films.     

Microstructural evolution of YSZ electrolyte aerosol-deposited on porous NiO-YSZ

Dense, crack-free, ～7.5 μm thick, 8 mol% yttria stabilized zirconia (YSZ) film was aerosol deposited on porous NiO-YSZ anode substrates at room temperature without additional high-temperature sintering. The films’ microstructures and gas permeability were observed after annealing at various temperatures. The dense, gas-tight film that was observed up to 1000 °C became porous at higher temperatures probably due to structural instability related to oxygen non-stoichiometry. A cell using such film as electrolyte showed an open cell voltage of 1.10 V and a maximum power density of 0.51 W/cm² at 750 °C.     

Effect of electrode and substrate on the fatigue behavior of PZT thick films fabricated by aerosol deposition

10 μm-thick lead zirconate titanate (PZT) films with identical LaNiO₃ (LNO) top and bottom electrodes were fabricated on silicon and yttria-stabilized zirconia (YSZ) substrates by aerosol deposition (AD). A Pt electrode was also made for comparison. The dielectric, ferroelectric and fatigue behaviors at different fields were investigated. The PZT films on YSZ/LNO showed the highest dielectric and ferroelectric properties and good fatigue behavior under various fields. PZT films with a Pt electrode also showed good fatigue behavior up to 10⁸ cycles as thicker film can minimize the effect of defect entrapment near the interface.     

Influences of Ta, Nb, or Mo additions in Zr-based bulk metallic glasses on microstructure and thermal properties

The master-alloy ingots for casting bulk metallic glasses are routinely prepared by arc melting a mixture of pure elements. This paper addresses the difficulty in achieving complete and homogeneous melting of refractory component additions in Zr-based BMGs using the above procedure, and its influences on the microstructure and thermal behavior of alloys.