Search results for "HOMO"
showing 10 items of 3626 documents
Ceļš: Latvijas Universitātes Teoloģijas fakultātes teoloģisks un kultūrvēsturisks izdevums, Nr. 59
2009
Finansiālais atbalstītājs - Ziemeļelbas Evaņģēliski luteriskajai baznīca (Vācija)
Derivation of a Homogenized Two-Temperature Model from the Heat Equation
2014
This work studies the heat equation in a two-phase material with spherical inclusions. Under some appropriate scaling on the size, volume fraction and heat capacity of the inclusions, we derive a coupled system of partial differential equations governing the evolution of the temperature of each phase at a macroscopic level of description. The coupling terms describing the exchange of heat between the phases are obtained by using homogenization techniques originating from [D. Cioranescu, F. Murat: Coll\`ege de France Seminar vol. 2. (Paris 1979-1980) Res. Notes in Math. vol. 60, pp. 98-138. Pitman, Boston, London, 1982.]
p −1-Linear Maps in Algebra and Geometry
2012
At least since Habousch’s proof of Kempf’s vanishing theorem, Frobenius splitting techniques have played a crucial role in geometric representation theory and algebraic geometry over a field of positive characteristic. In this article we survey some recent developments which grew out of the confluence of Frobenius splitting techniques and tight closure theory and which provide a framework for higher dimension geometry in positive characteristic. We focus on local properties, i.e. singularities, test ideals, and local cohomology on the one hand and global geometric applicatioms to vanishing theorems and lifting of sections on the other.
Filament sets and decompositions of homogeneous continua
2007
Abstract This paper applies the concepts introduced in the article: Filament sets and homogeneous continua [J.R. Prajs, K. Whittington, Filament sets and homogeneous continua, Topology Appl. 154 (8) (2007) 1581–1591, doi:10.1016/j.topol.2006.12.005 ] to decompositions of homogeneous continua. Several new or strengthened results on aposyndesis are given. Newly defined decompositions are discussed. A proposed classification scheme for homogeneous continua is shown to be mostly invariant under Jones' aposyndetic decomposition.
Barrier inhomogeneity in vertical Schottky diodes on free standing gallium nitride
2019
Abstract In this paper, the electrical behavior of a Ni/Au Schottky barrier on free standing GaN has been studied employing a variety of techniques and correlated with the material and interface quality. The temperature dependence of the ideality factor (n) and of the Schottky barrier height (ΦB) revealed a spatial inhomogeneity of the barrier. This behavior has been described by means of the Tung's model on inhomogeneous Schottky barriers. The origin of the barrier inhomogeneity can be likely associated to the surface quality of the GaN epilayer or to microstructure of the Ni/GaN interface.
An investigation into the fracture behaviour of honeycombs with density gradients
2020
International audience; In this study we perform an experimental and computational investigation about the fracture behaviour of polymer honeycombs presenting gradients in terms of lattice density. Such lattice relative density variations are introduced with the aim of mimicking the micro-morphology encountered in some natural materials, such as several kinds of woods, which seems related to the ability of the corresponding macro-material to delay the propagation of fracture under certain conditions. Starting from the conclusions of previous computational analyses, we perform a few experimental tensile tests on ABS model honeycombs obtained by additive manufacturing, with the aim of getting…
High-frequency EPR study on Cu4Cu- and Co4Co-metallacrown complexes
2019
Abstract High-frequency/high-field electron paramagnetic resonance studies on two homonuclear 12-MC-4 metallacrown complexes Cu4Cu and Co4Co are presented. For Cu4Cu, our data imply axial-type g-anisotropy with g x = 2.03 ± 0.01 , g y = 2.04 ± 0.01 , and g z = 2.23 ± 0.01 , yielding g = 2.10 ± 0.02 . No significant zero field splitting (ZFS) of the ground state mode is observed. In Co4Co, we find a m S = ± 3 / 2 ground state with g = 2.66 . The data suggest large anisotropy D of negative sign.
Optical properties and microstructure of 2.02-3.30 eV ZnCdO nanowires: effect of thermal annealing
2013
International audience; ZnCdO nanowires with up to 45% Cd are demonstrated showing room temperature photoluminescence (PL) down to 2.02 eV and a radiative efficiency similar to that of ZnO nanowires. Analysis of the microstructure in individual nanowires confirms the presence of a single wurtzite phase even at the highest Cd contents, with a homogeneous distribution of Cd both in the longitudinal and transverse directions. Thermal annealing at 550 C yields an overall improvement of the PL, which is blue-shifted as a result of the homogeneous decrease of Cd throughout the nanowire, but the single wurtzite structure is fully maintained.
Structural, electronic and energetic effects in heterocyclic fluorene derivatives fused with a fulvene unit
2019
Abstract A set of 36 heterocyclic (B, N and O) fluorene (C) derivatives fused in nine ways with fulvene ring have been analyzed by means of different local aromaticity criteria. Molecular geometry of analyzed compounds were optimized at B3LYP/6-311++G(2d,2p) level of theory. The evaluation of the local aromaticity has been carried out through the use of the geometry-based harmonic oscillator model of aromaticity (HOMA) and the magnetism-based zz‐component of the nucleus independent chemical shifts calculated 1 A above the ring center (NICS1zz) indices as well as one aromaticity index derived from the Quantum Theory Atoms in Molecules (QTAIM), i.e. the para-delocalization index (PDI). Additi…
Unravelling the kinetics and molecular mechanism of the degenerate Cope rearrangement of bullvalene
2020
The kinetics and molecular mechanism of the gas phase degenerate Cope rearrangement (DCR) of bullvalene have been investigated by applying quantum mechanical calculations. Highly accurate energies (CBS-QB3 and CBS-APNO) and RRKM calculations were employed to study the kinetics and ‘fall-off’ behavior. It was found that the DCR of bullvalene (C3v) occurs through a bishomoaromatic transition structure (C2v) with an energy barrier of ∼49 kJ mol−1. The calculated activation energy and enthalpy were in good agreement with the available values in the literature, but lower than those of common Cope rearrangement; this result is related to the high stabilization energy due to the interaction of the…