Redundancy in string cone inequalities and multiplicities in potential functions on cluster varieties

Journal of Algebraic Combinatorics - We study defining inequalities of string cones via a potential function on a reduced double Bruhat cell. We give a necessary criterion for the potential...     

Two-proton multiplets in theN=82 nucleus 62 144 Sm82 from in-beamγ-measurements

In a high sensitivity (,2n) in-beam study of ₆₂ ¹⁴⁴ Sm₈₂, with the Kölner Würfel OSIRIS -detector array including a Compton polarimeter, we have identified the complete two-proton multiplets d ₅ ^2/–2 , d ₅ ^2/–1 g ₇ ^2/–1 , g ₇ ^2/–2 , h_11/2d ₅ ^2/–1 and the 9^– to 4^– members of the h_11·/2g ₇ ^2/–1 multiplet.Work partially supported by CICYT (Spain).     

Investigations with the finite element method on the Cyber 205

We are trying to investigate systematically the application of the finite element method (FEM) for solving the Schrödinger equation. The present paper is devoted to the calculation of vibrational transition probabilities for the collinear reactive system A + BC (i.e. H+H₂ and their isotopes). The calculations are fully two-dimensional and the results are compared with earlier FEM calculations and conventional basis set expansion methods using the the R-matrix or S-matrix propagation.We made extensive analysis of FEM on the vector-computer Cyber 205 and developed a vector code for the efficient use in two dimensions, so that in the near future applications even in three dimensions will be possible.For the hydrogen exchange reactions we investigated the following isotope combinations: (a) H + H₂, b) H + DH, D + HD and H + MuH (symmetric reaction), (c) D + HH, H + DD and Mu + DD (asymmetric reaction). We calculated the transition probabilities for up to five open vibrational channels and found excellent agreement with known exact values.     

Ab initio investigations of the bound rovibrational levels of NeH 2 + , NeHD+, and NeD 2 +

Summary Bound rovibrational levels have been calculated for NeH ₂ ⁺ , NeHD⁺, and NeD ₂ ⁺ using three recent fits to an accurateab initio PES. The NeH ₂ ⁺ molecule behaves essentially as a linear molecule, the predicted rotational constant is 2.57 cm^–1. The fundamental frequencies are 811, 1189, and 1748 cm^–1 for the Ne-H ₂ ⁺ stretch, the Ne-H ₂ ⁺ bend and H ₂ ⁺ stretching modes, respectively.Dedicated to the 60th birthday of Prof. W. Kutzelnigg, Bochum     

Carbazole compounds as host materials for triplet emitters in organic light-emitting diodes: polymer hosts for high-efficiency light-emitting diodes

A carbazole homopolymer and carbazole copolymers based on 9,9'-dialkyl-[3,3']-bicarbazolyl, 2,5-diphenyl-[1,3,4]-oxadiazole and 9,9-bis(4-[3,7-dimethyloctyloxy]phenyl)fluorene were synthesized and their electrical and photophysical properties were characterized with respect to their application as host in phosphorescent polymer light-emitting diodes. It is shown that the triplet energy of a polymer depends on the specific connections between its building blocks. Without changing the composition of the polymer, its triplet energy can be increased from 2.3 to 2.6 eV by changing the way in which the different building blocks are coupled together. For poly(9-vinylcarbazole) (PVK), a carbazole polymer often used as host for high-energy triplet emitters in polymer light-emitting diodes, a large hole-injection barrier of about 1 eV exists due to the low-lying HOMO level of PVK. For all carbazole polymers presented here, the HOMO levels are much closer to the Fermi level of a commonly used anode such as ITO and/or a commonly used hole-injection layer such as PEDOT:PSS. This makes high current densities and consequently high luminance levels possible at moderate applied voltages in polymer light-emitting diodes. A double-layer polymer light-emitting diode is constructed comprising a PEDOT:PSS layer as hole-injection layer and a carbazole-oxadiazole copolymer doped with a green triplet emitter as emissive layer that shows an efficacy of 23 cd/A independent of current density and light output.     

First-principles rovibrational analysis of the H3+-molecule

The fitting of highly accurate potential energy points and of the diagonal adiabatic coupling for H3+ using different functional forms is presented. A recently derived analytical potential based on 69 points has been extended to give a highly reliable form of the topology of the surface far beyond the barrier to linearity. Rovibrational frequencies have been derived and are compared with experiment. Detailed information about the experimentally observed rovibrational transitions near 1.25 microm will be given. The computed transition frequencies reproduce experimental transitions within a tenth up to a few hundredths of a wavenumber, if a simulation of non-adiabatic effects is taken into account.     

Über eine neuartige Schraubenverbindung

Ohne Zusammenfassung     

A stochastic-structurally based three dimensional finite-strain damage model for fibrous soft tissue

A fully three dimensional finite-strain damage model for fibrous soft tissue is developed. The model assumes uncoupled contributions for the matrix and collagen fibers, and uncoupled bulk and deviatoric response over any range of deformations. A simple isotropic damage mechanism within the framework of continuum damage mechanics has been used to describe the softening behavior under deformation for the matrix. On the other hand, statistical aspects related to the length distribution of the reinforcing fibers lead to a damage model for the reinforcing material. As a result, a general theoretical framework for constitutive modeling of biological soft tissue with continuum damage is obtained. A theoretical example consisting of a biaxial test of a soft tissue reinforced with two families of collagen fibers has been considered to demonstrate the capabilities of the proposed model and to study the sensitivity to changes in the statistical parameters associated with the reinforcing material. Also, a preliminary numerical example is included to demonstrate the model on a inhomogeneous boundary value problem. Results show that the model is able to capture the typical stress-strain behavior observed in fibrous soft tissue and seems to confirm the soundness of the proposed formulation.