Zum Querkrafttragverhalten von UHPC-Balken mit kombinierter Bewehrung aus Stahlfasern und Stabstahl

Ultrahochfester Beton besitzt aufgrund seiner Zusammensetzung eine sehr hohe Druckfestigkeit von 150 bis über 200 N/mm² und eine außergewöhnlich hohe Dichtigkeit. Damit werden Anwendungen in stark belasteten Bereichen und mit hohen Anforderungen an die Dauerhaftigkeit des Materials ermöglicht. Gleichzeitig zeigt ultrahochfester Beton bei Erreichen seiner Festigkeit ein sehr sprödes Verhalten. Zur Verhinderung eines explosionsartigen Versagens werden einer UHPC-Mischung Fasern zugegeben oder wird eine Umschnürung mit Stahlrohren ausgebildet. Die Zugabe von Fasern zur Betonmatrix beeinflusst neben der Verformungsfähigkeit auch die Tragfähigkeit des UHPC. Das Versagen der Fasern ist abhängig von Fasergeometrie, Fasergehalt, Verbundverhalten sowie Zugfestigkeit der Faser und gekennzeichnet durch Faserauszug oder Faserreißen. Zur Sicherstellung der Tragfähigkeit kann daher auf konventionelle Bewehrung außer bei sehr dünnen Bauteilen nicht verzichtet werden. Im Rahmen des Schwerpunktprogramms SPP 1182 der Deutschen Forschungsgemeinschaft (DFG) wurden in dem dieser Arbeit zugrunde liegenden Forschungsprojekt die Fragen nach der Beschreibung des Querkrafttragverhaltens von UHPC-Bauteilen mit kombinierter Querkraftbewehrung und der Übertragbarkeit bestehender Querkraftmodelle auf UHPC untersucht. Neben einer umfassenden Darstellung vorhandener Querkraftmodelle für Stahlbetonbauteile ohne Querkraftbewehrung und mit verschiedenen Querkraftbewehrungsarten bilden experimentelle Untersuchungen zum Querkrafttragverhalten an UHPC-Balken mit verschiedener Querkraftbewehrung den Ausgangspunkt der vorliegenden Arbeit. Die experimentellen Untersuchungen beinhalteten zehn Querkraftversuche an UHPC-Balken. Diese Balken waren in Abmessungen und Biegezugbewehrung identisch. Sie unterschieden sich nur in der Art der Querkraftbewehrung. Die Querkraftbewehrungsarten umfassten eine Querkraftbewehrung aus Stahlfasern oder Vertikalstäben, eine kombinierte Querkraftbewehrung aus Stahlfasern und Vertikalstäben und einen Balken ohne Querkraftbewehrung. Obwohl für die in diesem Projekt untersuchten Balken Fasergehalte gewählt wurden, die zu einem entfestigenden Nachrissverhalten des Faserbetons führten, zeigten die Balkenversuche, dass die Zugabe von Stahlfasern die Querkrafttragfähigkeit steigerte. Durch die gewählte Querkraftbewehrungskonfiguration bei ansonsten identischen Balken konnte außerdem eine quantitative Abschätzung der einzelnen Traganteile aus den Versuchen abgeleitet werden. Der profilierte Querschnitt ließ einen großen Einfluss auf das Querkrafttragverhalten im Nachbruchbereich erkennen. Ein relativ stabiles Lastniveau nach Erreichen der Höchstlast konnte einer Vierendeelwirkung zugeordnet werden. Auf Basis dieser Versuchsergebnisse und analytischer Überlegungen zu vorhandenen Querkraftmodellen wurde ein additiver Modellansatz zur Beschreibung des Querkrafttragverhaltens von UHPCBalken mit einer kombinierten Querkraftbewehrung aus Stahlfasern und Vertikalstäben formuliert. Für die Formulierung der Traganteile des Betonquerschnitts und der konventionellen Querkraftbewehrung wurden bekannte Ansätze verwendet. Für die Ermittlung des Fasertraganteils wurde die Faserwirksamkeit zugrunde gelegt. Das Lastniveau im Nachbruchbereich aus Viendeelwirkung ergibt sich aus geometrischen Überlegungen.

Strained Silicon on Silicon by Wafer Bonding and Layer Transfer from Relaxed SiGe Buffer

We report the creation of strained silicon on silicon (SSOS) substrate technology. The method uses a relaxed SiGe buffer as a template for inducing tensile strain in a Si layer, which is then bonded to another Si handle wafer. The original Si wafer and the relaxed SiGe buffer are subsequently removed, thereby transferring a strained-Si layer directly to Si substrate without intermediate SiGe or oxide layers. Complete removal of Ge from the structure was confirmed by cross-sectional transmission electron microscopy as well as secondary ion mass spectrometry. A plan-view transmission electron microscopy study of the strained-Si/Si interface reveals that the lattice-mismatch between the layers is accommodated by an orthogonal array of edge dislocations. This misfit dislocation array, which forms upon bonding, is geometrically necessary and has an average spacing of approximately 40nm, in excellent agreement with established dislocation theory. To our knowledge, this is the first study of a chemically homogeneous, yet lattice-mismatched, interface.

Automatic self-configuration of the logical network using distributed software agents

We present a system for dynamic network resource configuration in environments with bandwidth reservation. The proposed system is completely distributed and automates the mechanisms for adapting the logical network to the offered load. The system is able to manage dynamically a logical network such as a virtual path network in ATM or a label switched path network in MPLS or GMPLS. The system design and implementation is based on a multi-agent system (MAS) which make the decisions of when and how to change a logical path. Despite the lack of a centralised global network view, results show that MAS manages the network resources effectively, reducing the connection blocking probability and, therefore, achieving better utilisation of network resources. We also include details of its architecture and implementation

Report on Blackboard 9 Configuration Options

This report was written by Matt Deeprose of iSolutions and lists the significant configuration options available.

Francés : complementos de formación disciplinar : la configuration du curriculum du français langue étrangère dans l´enseignement secondaire obligatoire et le baccalauréat : aspects théorico-conceptuels.

Bibliografía al final de los capítulos

Selected configuration interaction with truncation energy error and application to the Ne atom

Selected configuration interaction (SCI) for atomic and molecular electronic structure calculations is reformulated in a general framework encompassing all CI methods. The linked cluster expansion is used as an intermediate device to approximate CI coefficients BK of disconnected configurations (those that can be expressed as products of combinations of singly and doubly excited ones) in terms of CI coefficients of lower-excited configurations where each K is a linear combination of configuration-state-functions (CSFs) over all degenerate elements of K. Disconnected configurations up to sextuply excited ones are selected by Brown's energy formula, ΔEK=(E-HKK)BK2/(1-BK2), with BK determined from coefficients of singly and doubly excited configurations. The truncation energy error from disconnected configurations, Δdis, is approximated by the sum of ΔEKS of all discarded Ks. The remaining (connected) configurations are selected by thresholds based on natural orbital concepts. Given a model CI space M, a usual upper bound ES is computed by CI in a selected space S, and EM=E S+ΔEdis+δE, where δE is a residual error which can be calculated by well-defined sensitivity analyses. An SCI calculation on Ne ground state featuring 1077 orbitals is presented. Convergence to within near spectroscopic accuracy (0.5 cm-1) is achieved in a model space M of 1.4× 109 CSFs (1.1 × 1012 determinants) containing up to quadruply excited CSFs. Accurate energy contributions of quintuples and sextuples in a model space of 6.5 × 1012 CSFs are obtained. The impact of SCI on various orbital methods is discussed. Since ΔEdis can readily be calculated for very large basis sets without the need of a CI calculation, it can be used to estimate the orbital basis incompleteness error. A method for precise and efficient evaluation of ES is taken up in a companion paper

Select-divide-and-conquer method for large-scale configuration interaction

A select-divide-and-conquer variational method to approximate configuration interaction (CI) is presented. Given an orthonormal set made up of occupied orbitals (Hartree-Fock or similar) and suitable correlation orbitals (natural or localized orbitals), a large N-electron target space S is split into subspaces S0,S1,S2,...,SR. S0, of dimension d0, contains all configurations K with attributes (energy contributions, etc.) above thresholds T0={T0egy, T0etc.}; the CI coefficients in S0 remain always free to vary. S1 accommodates KS with attributes above T1≤T0. An eigenproblem of dimension d0+d1 for S0+S 1 is solved first, after which the last d1 rows and columns are contracted into a single row and column, thus freezing the last d1 CI coefficients hereinafter. The process is repeated with successive Sj(j≥2) chosen so that corresponding CI matrices fit random access memory (RAM). Davidson's eigensolver is used R times. The final energy eigenvalue (lowest or excited one) is always above the corresponding exact eigenvalue in S. Threshold values {Tj;j=0, 1, 2,...,R} regulate accuracy; for large-dimensional S, high accuracy requires S 0+S1 to be solved outside RAM. From there on, however, usually a few Davidson iterations in RAM are needed for each step, so that Hamiltonian matrix-element evaluation becomes rate determining. One μhartree accuracy is achieved for an eigenproblem of order 24 × 106, involving 1.2 × 1012 nonzero matrix elements, and 8.4×109 Slater determinants

Linear response functions for a vibrational configuration interaction state

Linear response functions are implemented for a vibrational configuration interaction state allowing accurate analytical calculations of pure vibrational contributions to dynamical polarizabilities. Sample calculations are presented for the pure vibrational contributions to the polarizabilities of water and formaldehyde. We discuss the convergence of the results with respect to various details of the vibrational wave function description as well as the potential and property surfaces. We also analyze the frequency dependence of the linear response function and the effect of accounting phenomenologically for the finite lifetime of the excited vibrational states. Finally, we compare the analytical response approach to a sum-over-states approach

Electron localization function at the correlated level

The electron localization function (ELF) has been proven so far a valuable tool to determine the location of electron pairs. Because of that, the ELF has been widely used to understand the nature of the chemical bonding and to discuss the mechanism of chemical reactions. Up to now, most applications of the ELF have been performed with monodeterminantal methods and only few attempts to calculate this function for correlated wave functions have been carried out. Here, a formulation of ELF valid for mono- and multiconfigurational wave functions is given and compared with previous recently reported approaches. The method described does not require the use of the homogeneous electron gas to define the ELF, at variance with the ELF definition given by Becke. The effect of the electron correlation in the ELF, introduced by means of configuration interaction with singles and doubles calculations, is discussed in the light of the results derived from a set of atomic and molecular systems

Analysis of chemical bonding and aromaticity from electronic delocalization descriptors

Interactions between electrons determine the structure and properties of matter from molecules to solids. Therefore, the understanding of the electronic structure of molecules will enable us to extract relevant chemical information. In the first part of this thesis, we focus our attention on the analysis of chemical bonding by means of the Electron Localization Function (ELF) and the Domain-Averaged Fermi Hole analysis (DAFH). In the second part, we assess the performance of some indicators of aromaticity by analyzing their advantages and drawbacks. We propose a series of tests based on well-known aromaticity trends that can be applied to evaluate the aromaticity of current and future indicators of aromaticity in both organic and inorganic species. Moreover, we investigate the nature of electron delocalization in both aromatic and antiaromatic systems in the light of Hückel’s (4n + 2) rule. Finally, we analyze the phenomenon of multiple aromaticity in all-metal clusters.

Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity

En la literatura sobre mecànica quàntica és freqüent trobar descriptors basats en la densitat de parells o la densitat electrònica, amb un èxit divers segons les aplicacions que atenyin. Per tal de que tingui sentit químic un descriptor ha de donar la definició d'un àtom en una molècula, o ésser capaç d'identificar regions de l'espai molecular associades amb algun concepte químic (com pot ser un parell solitari o zona d'enllaç, entre d'altres). En aquesta línia, s'han proposat diversos esquemes de partició: la teoria d'àtoms en molècules (AIM), la funció de localització electrònica (ELF), les cel·les de Voroni, els àtoms de Hirshfeld, els àtoms difusos, etc. L'objectiu d'aquesta tesi és explorar descriptors de la densitat basats en particions de l'espai molecular del tipus AIM, ELF o àtoms difusos, analitzar els descriptors existents amb diferents nivells de teoria, proposar nous descriptors d'aromaticitat, així com estudiar l'habilitat de totes aquestes eines per discernir entre diferents mecanismes de reacció.

Forest Policy Scenario Analysis: Sensitivity of Songbird Community to Changes in Forest Cover Amount and Configuration

Changes in mature forest cover amount, composition, and configuration can be of significant consequence to wildlife populations. The response of wildlife to forest patterns is of concern to forest managers because it lies at the heart of such competing approaches to forest planning as aggregated vs. dispersed harvest block layouts. In this study, we developed a species assessment framework to evaluate the outcomes of forest management scenarios on biodiversity conservation objectives. Scenarios were assessed in the context of a broad range of forest structures and patterns that would be expected to occur under natural disturbance and succession processes. Spatial habitat models were used to predict the effects of varying degrees of mature forest cover amount, composition, and configuration on habitat occupancy for a set of 13 focal songbird species. We used a spatially explicit harvest scheduling program to model forest management options and simulate future forest conditions resulting from alternative forest management scenarios, and used a process-based fire-simulation model to simulate future forest conditions resulting from natural wildfire disturbance. Spatial pattern signatures were derived for both habitat occupancy and forest conditions, and these were placed in the context of the simulated range of natural variation. Strategic policy analyses were set in the context of current Ontario forest management policies. This included use of sequential time-restricted harvest blocks (created for Woodland caribou (Rangifer tarandus) conservation) and delayed harvest areas (created for American marten (Martes americana atrata) conservation). This approach increased the realism of the analysis, but reduced the generality of interpretations. We found that forest management options that create linear strips of old forest deviate the most from simulated natural patterns, and had the greatest negative effects on habitat occupancy, whereas policy options that specify deferment and timing of harvest for large blocks helped ensure the stable presence of an intact mature forest matrix over time. The management scenario that focused on maintaining compositional targets best supported biodiversity objectives by providing the composition patterns required by the 13 focal species, but this scenario may be improved by adding some broad-scale spatial objectives to better maintain large blocks of interior forest habitat through time.

A healable supramolecular polymer blend based on aromatic π-π stacking and hydrogen bonding interactions

An elastomeric, supramolecular healable polymer blend, comprising a chain-folding polyimide and a telechelic polyurethane with pyrenyl endgroups, is compatibilised by aromatic π−π stacking between the π-electron-deficient diimide groups and the π-electron-rich pyrenyl units. This inter-polymer interaction is key to forming a tough, healable, elastomeric material. Variable temperature FTIR analysis of the bulk material also conclusively demonstrates the presence of hydrogen bonding, which complements the π–π stacking interactions. Variable temperature SAXS analysis shows that the healable polymeric blend has a nanophase-separated morphology, and that the X-ray contrast between the two types of domain increases with increasing temperature, a feature that is repeatable over several heating and cooling cycles. A fractured sample of this material reproducibly regains more than 95% of the tensile modulus, 91% of the elongation to break, and 77% of the modulus of toughness of the pristine material.