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Spectroscopic ellipsometry of interfacial phase transitions in fluid metallic systems: KxKCl1-x and Ga1-xBix [online]

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ISBN: 3937300082 Year: DOI: 10.5445/KSP/812004 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Chemistry (General)
Added to DOAB on : 2019-07-30 20:01:59

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The investigation of the interfacial phase transitions in fluid systems with short-range intermetallic interactions are of great interest. The phenomena were studied in two systems exhibiting a liquid-liquid miscibility gap: at the fluid/wall interface in fluid KxKCl1-x and at the fluid/vacuum interface of the Ga1 xBix alloys. To characterize the interfacial changes of the ultra thin films (composition, thickness and their evolution with time) the spectroscopic ellipsometry was performed over a wide spectral range. Whereas in the experiments on KxKCl1-x an existing ellipsometer could be used, a completely new UHV-apparatus including the in-situ phase modulation ellipsometer had to be developed for Ga1 xBix alloys. For the KxKCl1-x system new results on complete wetting at solid-liquid coexistence as well as in the homogenous liquid phase (prewetting) are presented. The spectra show the typical F center absorption which indicates that the film is a salt-rich phase. The thickness strongly increases approaching the monotectic from 30 to 440 nm, which is in agreement with the tetra point wetting scenario. For this interpretation a quantitative description of the excess Gibbs energy has been developed. For the Ga1 xBix system the results on complete wetting, surface freezing and oscillatory interfacial instabilities are presented. The high-precision spectra have been recorded approaching the liquid-liquid miscibility. These spectra have been modeled using a Ga-Bi effective medium approximation for the substrate covered by a film of liquid Bi. The measurements give evidence of tetra point wetting in the Ga-Bi system. First ellipsometric study of the surface freezing in Ga-Bi has been performed. Within the miscibility gap a very interesting effect of surface and bulk oscillatory instability was observed. The details of this process at present are not well understood, but a qualitative description is given.

Implementation and application of the explicitly correlated coupled-cluster method in Turbomole

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ISBN: 9783866443921 Year: Pages: 102 p. DOI: 10.5445/KSP/1000011987 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Chemistry (General)
Added to DOAB on : 2019-07-30 20:02:00
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In this thesis the implementation of the explicitly correlated coupled-cluster singles-and-doubles model is presented. This tool is capable of efficiently calculating CCSD energies at the basis set limit with relatively small orbital basis sets. The implementation supports RHF, UHF and ROHF reference wave functions. The usefulness of the developed tool is illustrated with selected chemical applications.

Indicator-based Sustainability Assessment of the German Energy System and its Transition

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ISBN: 9783731507925 Year: Pages: VII, 157 p. DOI: 10.5445/KSP/1000082161 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Business and Management
Added to DOAB on : 2019-07-28 18:37:01
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The energy transition not only has an impact on technical infrastructures but also leads to socio-economic changes. To evaluate the sustainability aspects of the German Energiewende, the authors have developed a monitoring system which includes 45 indicators and their corresponding target values for 2020, 2030, and 2050 as well as a rating system for the year 2020 based on a distance-to-target approach and traffic color lights.

Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors

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ISBN: 9783866440852 Year: Pages: VIII, 219 p. DOI: 10.5445/KSP/1000005428 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Chemistry (General)
Added to DOAB on : 2019-07-30 20:01:57
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The emission of dibenzofurans and dioxins from industrial processes is a major environmental concern. Focussing on dibenzofuran, this study tend to improve our understanding of the general oxidation chemistry and to provide a mechanism suitable for future modelling studies.Based on quantum chemical methods, energies, chemical structures and reactions are calculated numerically. Not only stable molecules and radicals, but also transition states are reported in this work.

Diagnosing the Downstream Impact of Extratropical Transition Using Multimodel Operational Ensemble Prediction Systems

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Book Series: Wissenschaftliche Berichte des Instituts für Meteorologie und Klimaforschung des Karlsruher Instituts für Technologie ISSN: 01795619 ISBN: 9783866449848 Year: Volume: 57 Pages: X, 246 p. DOI: 10.5445/KSP/1000032813 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Physics (General)
Added to DOAB on : 2019-07-30 20:01:57
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The study examines the predictability during the extratropical transition (ET) of tropical cyclones using the THORPEX Interactive Grand Global Ensemble (TIGGE), a multimodel ensemble prediction system (EPS). It is shown that TIGGE exhibits more possible development scenarios than a single EPS. By analysing the eddy kinetic energy budget of forecast scenarios for two ET cases, extracted from an EPS, the impact of the transitioning tropical cyclones on the midlatitude flow is studied in detail.

Flow control : theoretical concept of absolute instability

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ISBN: 9783866445314 Year: Pages: 97 p. DOI: 10.5445/KSP/1000016554 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Technology (General)
Added to DOAB on : 2019-07-30 20:01:58
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At the 37th Prandtl memorial lecture on Regions of Viccous Flow, H.Oertel 1994 developed for the first time the stability theory of local perturbations in boundary layers and wake flows, as well as their practical application in the flow control of vehicle flows and the boundary layer of civil aircraft wings.This work presents how the stability theory concept of absolute instability has advanced and proven in practice in the last 15 years in terms of the efficient flow control.

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