The clas program for classification and evaluation

Multivariate classification methods are needed to assist in extracting information from analytical data. The most appropriate method for each problem must be chosen. The applicability of a method mainly depends on the distributional characteristics of the data population (normality, correlations between variables, separation of classes, nature of variables) and on the characteristics of the data sample available (numbers of objects, variables and classes, missing values, measurement errors). The CLAS program is designed to combine classification methods with evaluation of their performance, for batch data processing. It incorporates two-group linear discriminant analysis (SLDA), independent class modelling with principal components (SIMCA), kernel density estimation (ALLOC), and principal component class modelling with kernel density estimation (CLASSY). Most of these methods are implemented so as to give probabilistic classifications. Multiple linear regression is provided for, and other methods are scheduled. CLAS evaluates the classification method using the training set data (resubstitution), independent test data, and pseudo test data (leave-one-out method). This last method is optimized for faster computation. Criteria for classification performance and reliability of the given probabilities, etc. are determined. The package contains flexible possibilities for data manipulation, variable transformation and missing data handling.     

Stroboskopisehe Untersuchungen über den zeitlichen Aufbau,die optische Absorption und das Nachleuchten gesteuerter Funkenentladungen

Zusammenfassung In elektrischen Funkenentladungen lassen sich Zündphase, Bogenphase und Abklingphase unterscheiden, die besondere charakteristische Eigenschaften aufweisen. Ihre Untersuchung wird durch ein neu entwickeltes Stroboskop ermöglicht, dessen Phasenlage beliebig gegenüber der periodischen Funkenfolge verstellt werden kann. Durch optische Absorption kann im abklingenden Funken nicht nur der atomare Metalldampf durch seine Grundlinien nachgewiesen werden, sondern auch seine molekularen Reaktionsprodukte mit der umgebenden Atmosphäre lassen sich durch Bandenabsorption feststellen. Das Nachleuchten abklingender Funkenentladungen wird im wesentlichen durch das Nachleuchten des aktiven Stickstoffs getragen, wenn der Metalldampfgehalt der Funkenstrecke gering gehalten wird. Gegen Ende der Nachleuchtphase lassen sich Sprüherscheinungen an den Elektroden feststellen, bei denen kleine Partikelchen mit unterschiedlichen, zum Teil spiralig verlaufenden Bahnkurven ausgeschleudert werden. Die Flugbahnen der Teilchen weisen auf starke Gasströmungen in der Funkenstrecke hin.

---

Summary In electrical spark discharges it is possible to distinguish ignition phase, arc phase, and decay phase. These display special characteristic properties. It is possible to study them by means of a newly developed stroboscope, whose phase position can be adjusted at will against the periodic succession of sparks. Through optical absorption, not only the atomic metal vapor can be detected, through its ground lines, in the decaying sparks but also its molecular reaction products with the surrounding atmosphere can be established through the band spectrum. The phosphorescence of decaying spark discharges is essentially due to the afterglow of the active nitrogen, if the metal vapor of the spark gap is kept low. Toward the end of the phosphorescence phase, spray phenomena may be observed at the electrodes, in which tiny particles with distinctive, in part spiral, orbital curves are ejected. The flight paths of these particles indicate strong gas currents in the spark gap.

---

Résumé On peut distinguer dans la décharge par étincelles, la phase d'ignition, la phase d'arc et la phase de décroissance. On explique ainsi certaines propriétés caractéristiques. On peut étudier ces diverses phases à l'aide d'un dispositif stroboscopique nouveau réglable à volonté pour observer la même phase d'étincelles qui se succèdent périodiquement. Grâce a l'absorption optique on peut détecter soit une vapeur atomique métallique par ses raies caractéristiques pendant la période de décroissance des étincelles, soit les réactions moléculaires qui se produisent dans les gaz environnants grâce aux spectres de bandes. La phosphorescence pendant la décroissance de l'étincelle est due essentiellement à la postluminescence de l'azote actif, si la tension de vapeur du métal entre les électrodes est suffisamment basse. Pendant la fin de la période de phosphorescence on observe sur les électrodes des phénomènes de pulvérisation avec formation de très petites particules qui sont éjectées en décrivant des trajectoires en spirales. Les trajectoires aériennes de ces particules révèlent l'existence de forts courants gazeux entre les électrodes.

     

Longitudinal acceptance computation for A 50 MeV race track microtron

The algorithm for analysing of longitudinal motion and for calculating phase trajectory in race track microtron (RTM) with small injection energy and small energy gain per turn is described. A longitudinal acceptance is calculated.We are indebted to E. A. Perelshtein and N. Ju. Kazarinov and A. Ju. Molodozhencev for stimulating advices. We thank M. Slodika for work with program coding.     

Magnetoresistivity of bismuth films in magnetic fields to 19 Tesla

The longitudinal and transverse magnetoresistance to fields of 19 Tesla and 4.2 K has been measured for bismuth films ranging in thickness from 0.01 to 2 m. We have observed a pronounced maximum in the longitudinal magnetoresistance which is thickness dependent. We compare these results with classical size effect theories for the longitudinal magnetoresistance in terms of magnetic-field-dependent electron scattering at grain and film boundaries. Measurements of the longitudinal magnetoresistance to 38 Tesla show a quenching of the classical size effect in the high field limit. This result strongly supports our analysis.Work supported by NSF grant #DMR 8113456Supported by the National Science Foundation     

Dielectric properties of plasma polymerized PVCa and composite PVCa:Au films

Dielectric properties of plasma polymerized PVCa and composite PVCa:Au films had been analyzed in the frequency range from 10 to 10⁵ Hz. In order to explain experimental data obtained the modification of Maxwell-Garnett and Bruggeman self-consistent models for the case of three-component composite has been done. The theoretical analysis performed allows to determine peculiarities of dielectric behavior of a three-component system, as well as to disclose the procedure of evaluation of third-component parameters. Results of this analysis are in agreement with experimental ones.     

Iodine photodissociation laser system Perun II

A construction and exploitation of a medium size iodine photodissociation laser system Perun II is reported. This laser produced pulses of infrared light (=1.315m) up to 50 J in energy and 300 ps in duration. The diameter of the beam is 82 mm. The beam divergence is about 4×10^–4 rad. The laser beam can be focused in a focal spot of a power density exceeding 10¹⁴ W/cm². The resuls of measurements of basic plasma parameters on an Al foil target are also presented. A recent improvement of the system includes a conversion to the second harmonic by a DKDP crystal.Presented at bilateral international seminar of High Temperature Laser Plasma and High Gain Iodine Lasers held on 4 July 1991 in the Inst. of Physics, Czechosl. Acad. Sci., in Prague (organized by Division of Optics of the Inst. of Physics, Czechosl. Acad. Sci., and Physical Section (Plasma Division) of the Union of Czech Mathematicians and Physicists.     

Die Komplexe von Dioxocyan (OCN)2 mit TiCl4 und ZrCl4

Complexes of Dioxocyanogen (OCN)₂ with TiCl₄ and ZrCl₄ A solution of (OCN)₂ was obtained by reaction of AgOCN with Br₂ in H₂CCl₂ at ?70°C. From this the complexes TiCl₄(NCO)₂ and ZrCl₄(NCO)₂ were obtained by addition of equimolar amounts of TiCl₄ and ZrCl₄, respectively. According to the i.r. and Raman spectra, the (NCO)₂ ligand is bonded via its N atoms to the metal.     

Ultra-violet excited laser emission in Na2

Laser emission at different wavelengths in the range of 903–914 nm and around 2.5 m has been observed upon excitation of Na₂ by uv radiation from an excimer laser at 351 nm and an excimer pumped dye laser in this wavelength range. The emission is attributed to a cascade emission followed by . In addition, coupled with the laser emission around 910 nm, broad-band fluorescence peaking around 855.5 nm is observed which, eventually, may be the first observation of the bound-free transition in Na₂.     

Theory-enforced Re-investigation of the Origin of the Large Metal–Carbon Bond Strength in PdCH2I+ and its reactions with unsaturated hydrocarbons

State-of-the-art ab initio studies demonstrate that the reaction Pd⁺ + CH₃I → PdCH₂I⁺ + H^. is endothermic by ca. 20 kcal/mol, which translates into a bond dissociation energy (BDE) of ca. 83 kcal/mol for the Pd⁺? CH₂I bond. This figure is in agreement with an experimental bracket of 68 kcal/mol < BDE(Pd⁺? CH₂I) < 92 kcal/mol. Based on these findings, the previously studied Pd⁺/CH₃I system was re-investigated, and double-resonance experiments demonstrate that the formation of PdCH₂I⁺ occurs stepwise via PdCH as a reactive intermediate. Further, ion/molecule reactions of PdCH₂I⁺ with unsaturated hydrocarbons are studied, which reveal the formation of carbon–carbon bonds in the gas phase.