Structural stability and energetics of C,Si, and Ge microclusters: empirical many-body potential energy function calculation

The structural stability and energetics of carbon, silicon, and germanium microclusters containing 3?7 atoms have been investigated by using a recently developed empirical many-body potential energy function (PEF), which comprises two- and three-body atomic interactions. The PEF satisfies both bulk cohesive energy per atom and bulk stability exactly. It has been found that the most stable C_3?4 microclusters are linear withD _∞h symmetry but C_5?7 microclusters are planar withD _nh symmetry. Silicon and germanium microclusters show similar structural stability. TheX _n (X=Si, Ge;n=3?7) microclusters are found to be most stable in the following forms:X ₃ is triangular withD _3h symmetry,X ₄ is tetragonal withT _d symmetry,X ₅ is square pyramidal withD _4h symmetry,X ₆ is bipyramidal square withO _h symmetry, and finallyX ₇ is square pyramidal having two atoms underneath withD _2h symmetry.     

Determination of trace elements in Na-bentonitic clay by INAA in Turkey

Instrumental neutron activation analysis was applied to the determination of trace elements in a Na-bentonitic clay. The irradiation was done in the Triga Mark II type reactor of ITU Nuclear Energy Institute. The sample was irradiated in two steps for short- and long- lived isotopes. After irradiation, spectra were taken using a germanium detector, multichannel analyzer Canberra System 100 and a fitting program called Sampo 90. The spectra of short-lived isotopes were analyzed to determine Al, Mg, Na, K, Ca, Ti elements and Mn, V trace elements. The spectra of long-lived isotopes were analyzed to determine Sc, Br, Sb, Cs, La, Ce, Sm, Yb, Hf, Pa, Np trace elements.     

Kinetic study of the crystallization processes of some decorative ceramic glazes

A kinetic study of the crystallization processes was performed for some decorative ceramic glazes in the PbO-SiO₂-Na₂O-K₂O-CaO(BaO)-Al₂O₃-B₂O₃ system with addition of 10% TiO₂ and ZnO. The crystallization kinetics has been studied in non-isothermal conditions using DTA technique. The apparent activation energies of the crystallization processes were calculated using the Kissinger method. The main crystalline phase, which provides the decorative effect, is rutile. This has been identified by X-ray diffraction and it is clearly visible in the optical microscopy images taken in transmitted light, as needle-like or even prismatic crystals arranged in radial-fibrous aggregates.     

Pulling rate, thermal and capillary conditions setting for rod growth

The purpose of this paper is to elaborate a procedure, based on a mathematical model, for the setting of the pulling rate, capillary and thermal conditions, in order to grow a cylindrical rod with prescribed radius and length, by edge-defined film-fed growth (EFG) method. First, in the case of an axisymmetric meniscus, we use simultaneously the catching and the angle fixation conditions in order to find a formula, which describes the fluctuation of the angle between the horizontal axis Or and the tangent line to the free surface of the meniscus at the three phase point. This angle appears in the system of differential equations which describes the evolution of the radius of the rod. During the growth this angle can fluctuate due to the fluctuations of the crystal radius, or crystallization front level, or pressure, respectively. In the second part of the paper it is shown in which kind this formula together with the energy balance equation at the crystallization front level can be used for setting the pulling rate, the thermal and capillary conditions to grow a cylindrical rod with prescribed radius and length. Numerical illustration and simulation are presented for rods having thermo-physical properties similar to NdYAG and InSb. This type of results can be useful for the experiment planning, since personal computer simulation is less expensive than experiment. With this aim the present study was undertaken.     

Addition Reactions of Glycal Esters: Access to Glycosyl Donors of Kdo,d-glycero-d-talo- and d-glycero-d-galacto-2-Octulosonic Acid Residues

ABSTRACT

Addition reactions of O-acetylated glycal esters of Kdo mono-, α-(2→8)- and α-(2→4)- linked Kdo disaccharide derivatives 1a - c with NIS in acetic acid afforded good yields of trans-diaxial as well as minor amounts of trans-diequatorial and cis-configured 2-O-acetyl-3-deoxy-3-iodo derivatives, which were efficiently reduced with Bu₃SnH/AIBN to give the corresponding per-O-acetylated Kdo methyl ester derivatives. Similar reactions of 1a with NBS or NCS furnished the trans-diaxial 2-O-acetyl-3-bromo-3-deoxy- as well as 3-chloro-3-deoxy derivatives as the main products. Reaction of 1a with NBS in aqueous MeCN provided the 2,3-trans-bromohydrin derivative 11c, which upon treatment with DBU in MeCN gave the elimination product 11 and the α-2,3-anhydro derivative 12 as a suitable donor of glycosides with D-glycero-D-talo- or D-glycero-D-galacto configuration, respectively.     

Comments on “linear stability analysis of a non-slipping mean flow in a 2D-straight lined duct with respect to modes type initial (instantaneous) perturbations”, by Balint,Balint and Darau

This paper comments on a number of inaccuracies in the recently-published article by Balint et al. [S. Balint, A.M. Balint, M. Darau, Linear stability analysis of a non-slipping mean flow in a 2D-straight lined duct with respect to modes type initial (instantaneous) perturbations, Appl. Math. Model. 35 (2011) 1081–1095], concerning initial value acoustic perturbations to a steady mean nonslipping flow in a 2D duct: in particular, the neglect of antisymmetric solutions, and their comments on stability. Here, their dispersion relation is briefly rederived and simplified, two numerical results are presented demonstrating the existence of antisymmetric solutions in a specific case, and the inaccuracy in their comments on instability is highlighted.     

On Fuglede's Conjecture and the Existence of Universal Spectra

Recent methods developed by Tao [18], Kolountzakis and Matolcsi [7] have led to counterexamples to Fugelde’s Spectral Set Conjecture in both directions. Namely, in Tao produced a spectral set which is not a tile, while Kolountzakis and Matolcsi showed an example of a nonspectral tile. In search of lower dimensional nonspectral tiles we were led to investigate the Universal Spectrum Conjecture (USC) of Lagarias and Wang [14]. In particular, we prove here that the USC and the "tile → spectral" direction of Fuglede’s conjecture are equivalent in any dimensions. Also, we show by an example that the sufficient condition of Lagarias and Szabó [13] for the existence of universal spectra is not necessary. This fact causes considerable difficulties in producing lower dimensional examples of tiles which have no spectra. We overcome these difficulties by invoking some ideas of Révész and Farkas [2], and obtain nonspectral tiles in . Fuglede’s conjecture and the Universal Spectrum Conjecture remains open in 1 and 2 dimensions. The one-dimensional case is closely related to a number theoretical conjecture on tilings by Coven and Meyerowitz [1].     

Inequalities for single crystal rod growth by edge-defined film-fed growth (E.F.G.) technique

A boundary value problem in the case of the second order axi-symmetric Young-Laplace differential equation (some of whose solutions describe the static meniscus free surface, i.e. the static liquid bridge free surface between the shaper and the crystal, occurring in single crystal rod growth) is analyzed. The analysis concerns the dependence of the solution of an initial value problem of the equation on a parameter p (the controllable part of the pressure difference Δp across the free surface). Inequalities are established for p which are necessary or sufficient conditions for the existence of a solution which represents a stable and convex free surface of a static meniscus. The analysis is numerically illustrated for the static menisci occurring in the NdYAG laser single crystal rod growth from the melt by edge-defined film-fed growth (E.F.G.) technique. This kind of inequalities can be useful in the experiment planning and technology design.