Preparation of Aluminum Nitride Powder from Aluminum Polynuclear Complexes

AIN powder was synthesized from aluminum polynuclear complexes. Basic aluminum chloride and basic aluminum lactate were used as the aluminum polynuclear complexes. These starting materials and glucose were dissolved in water and mixed homogeneously. AIN powder was obtained by calcining after drying and precalcining at 800°C under nitrogen gas flow. Then excess carbon was removed by firing in air. Nitridation in the system was investigated and compared with that in the alumina–carbon black system. It was found that in our reaction system nitridation began and proceeded at lower calcination temperatures above 1200°C than in the alumina–carbon black system. Using aluminum polynuclear complexes, AIN was synthesized through the nitridation of γ-alumina and produced in a very fine and sharp particle size distribution.     

Studies on the biaxial stretching of polypropylene film. XI. Type II orientation during [2-2FI]-type stretching and its change by subsequent thermal contraction

In order to study the deformation mechanism of type II stretching, the change in orientation during the restretching and subsequent thermal contraction was investigated by x-ray diffraction method. When a uniaxially oriented film is restretched, the lamellae which are stacked in the stretching direction by the stretching rotate as a whole toward the restretching axis. They rotate backward nearly reversibly during the thermal contraction, unless the restretching exceeds a balancing state, where the orientation in the film plane are equal in all directions. However, when the restretching degree is so high and the film orientation exceeds the balancing state, the lamellar rotation is accompanied by a complex phenomenon. It is considered from the wide-angle and small-angle x-ray diffraction patterns that the lamellar surface becomes indented because of slippage between microfibrils composing the lamellae, and the microfibrils themselves bend at the boundary between the amorphous and crystalline regions within which the tilting of c-axis also occurs. Upon contracting of the film; these changes recover, but even in the last stage of contraction the orientation approaches the symmetrical biaxial orientation but not the uniaxial orientation from which the biaxial orientation is started. These orientation and disorientation behaviors are not affected basically by a slight change in the restretching temperature and the degree of stretching.     

Robust loss functions for boosting

Boosting is known as a gradient descent algorithm over loss functions. It is often pointed out that the typical boosting algorithm, Adaboost, is highly affected by outliers. In this letter, loss functions for robust boosting are studied. Based on the concept of robust statistics, we propose a transformation of loss functions that makes boosting algorithms robust against extreme outliers. Next, the truncation of loss functions is applied to contamination models that describe the occurrence of mislabels near decision boundaries. Numerical experiments illustrate that the proposed loss functions derived from the contamination models are useful for handling highly noisy data in comparison with other loss functions.     

Multiple kernel learning with gaussianity measures

Kernel methods are known to be effective for nonlinear multivariate analysis. One of the main issues in the practical use of kernel methods is the selection of kernel. There have been a lot of studies on kernel selection and kernel learning. Multiple kernel learning (MKL) is one of the promising kernel optimization approaches. Kernel methods are applied to various classifiers including Fisher discriminant analysis (FDA). FDA gives the Bayes optimal classification axis if the data distribution of each class in the feature space is a gaussian with a shared covariance structure. Based on this fact, an MKL framework based on the notion of gaussianity is proposed. As a concrete implementation, an empirical characteristic function is adopted to measure gaussianity in the feature space associated with a convex combination of kernel functions, and two MKL algorithms are derived. From experimental results on some data sets, we show that the proposed kernel learning followed by FDA offers strong classification power.     

First principles total energy studies of the adsorption of germane on Ge(001)-c(2 × 4)

We perform first principles total energy calculations to study the energetics, and the atomic structure of the adsorption of germane (GeH₄) molecules on the Ge(001)-c(2 × 4) surface. The adsorption of a GeH₄ unit occurs after its dissociation into a germanium trihydride (GeH₃) and a hydrogen atom and a subsequent decomposition into a germanium dihydride (GeH₂) subunit and H atoms. Consequently, we first consider the adsorption of GeH₂ in two different configurations; the on-dimer and the intra-row geometries. Similar to the adsorption of SiH₂ and GeH₂ on Si(001), it is found that the on-dimer site is more stable than the intra-row geometry by 0.13 eV. However, in the adsorption of a GeH₂ fragment together with two H atoms we find that the intra-row geometry is energetically more favorable, again, similar to the adsorption of SiH₂ and GeH₂ (plus two H atoms) on the Si(001) surface.     

General topology optimization method with continuous and discrete orientation design using isoparametric projection

A general topology optimization method, which is capable of simultaneous design of density and orientation of anisotropic material, is proposed by introducing orientation design variables in addition to the density design variable. In this work, the Cartesian components of the orientation vector are utilized as the orientation design variables. The proposed method supports continuous orientation design, which is out of the scope of discrete material optimization approaches, as well as design using discrete angle sets. The advantage of this approach is that vector element representation is less likely to fail into local optima because it depends less on designs of former steps, especially compared with using the angle as a design variable (Continuous Fiber Angle Optimization) by providing a flexible path from one angle to another with relaxation of orientation design space. An additional advantage is that it is compatible with various projection or filtering methods such as sensitivity filters and density filters because it is free from unphysical bound or discontinuity such as the one at θ = 2π and θ = 0 seen with direct angle representation. One complication of Cartesian component representation is the point‐wise quadratic bound of the design variables; that is, each pair of element values has to reside in a given circular bound. To overcome this issue, we propose an isoparametric projection method, which transforms box bounds into circular bounds by a coordinate transformation with isoparametric shape functions without having the singular point that is seen at the origin with polar coordinate representation. A new topology optimization method is built by taking advantage of the aforementioned features and modern topology optimization techniques. Several numerical examples are provided to demonstrate its capability. Copyright © 2014 John Wiley & Sons, Ltd.     

Am1 MO Study of Benzene Nitro Derivatives

Molecular properties of benzene nitro derivatives were investigated by using semi-empirical MO calculations. As the results, the molecular structures and the rotational barrier of the nitro group calculated by AM1 showed a good agreement with the experimental values. The heats of formation in gaseous and condensed phases were obtained by considering isodesmic reactions. By this procedure, the heat of formation of hexanitrobenzene in solid phase was calculated to be +22.7 kcal/mol. The detonation parameters were also calculated by using four equations of state. The predicted detonation velocities showed a good agreement with the experimental values.     

Identification of Sialylated Oligosaccharides Derived from Ovine and Caprine Caseinomacropeptide by Graphitized Carbon Liquid Chromatography–Electrospray Ionization Ion Trap Tandem Mass Spectrometry

Isolation and characterization of oligosaccharides from caseinomacropeptide (CMP) are important in understanding the biological and functional properties of CMP. However, it is difficult to achieve this goal, due to the high degree of isomerism present in these types of compounds. In this study, the sialylated oligosaccharides derived from ovine and caprine CMP were released as oligosaccharide alditols by reductive β-elimination and subsequently separated and characterized using graphite carbon column liquid chromatography–negative electrospray ionization ion trap tandem mass spectrometry (LC/ESI(?)-MSⁿ). Although, the chromatographic resolution of isomeric oligosaccharides was not achieved perfectly, the characteristic tandem mass spectra of these compounds allowed differentiating and confirming unequivocally the structure of each one of the oligosaccharides. In CMP of both species, four trisaccharides and four tetrasaccharides were identified as O-glycans. Their chemical structures were identified to be Galβ1-3(NeuAcα2-6)GalNAcol, NeuAcα2-3Galβ1-3GalNAcol, Galβ1-3(NeuGcα2-6)GalNAcol, NeuGcα2-3Galβ1-3GalNAcol, NeuAcα2-3Galβ1-3(NeuGcα2-6)GalNAcol, NeuGcα2-3Galβ1-3(NeuAcα2-6)GalNAcol, NeuAcα2-3Galβ1-3(NeuAcα2-6)GalNAcol, and NeuGcα2-3Galβ1-3(NeuGcα2-6)GalNAcol. The LC/MSⁿ methodology using an ion trap-type mass analyzer shown in this study is of general applicability for determination of short O-glycan oligosaccharides.     

PNET “ONDM 2019” special issue

Photonic Network Communications -