In the field of uncertainty quantification, the effects of parameter uncertainties on scientific simulations may be studied by integrating or approximating a quantity of interest as a function over the parameter space. If this is done numerically, using regular grids with a fixed resolution, the required computational work increases exponentially with respect to the number of uncertain parameters – a phenomenon known as the curse of dimensionality. We study two methods that can help break this curse: discrete least squares polynomial approximation and kernel-based approximation. For the former, we adaptively determine sparse polynomial bases and use evaluations in random, quasi-optimally distributed evaluation nodes; for the latter, we use evaluations in sparse grids, as introduced by Smolyak. To mitigate the additional cost of solving differential equations at each evaluation node, we extend multilevel methods to the approximation of response surfaces. For this purpose, we provide a general analysis that exhibits multilevel algorithms as special cases of an abstract version of Smolyak’s algorithm. In financial mathematics, high-dimensional approximation problems occur in the pricing of derivatives with multiple underlying assets. The value function of American options can theoretically be determined backwards in time using the dynamic programming principle. Numerical implementations, however, face the curse of dimensionality because each asset corresponds to a dimension in the domain of the value function. Lack of regularity of the value function at the optimal exercise boundary further increases the computational complexity. As an alternative, we propose a novel method that determines an optimal exercise strategy as the solution of a stochastic optimization problem and subsequently computes the option value by simple Monte Carlo simulation. For this purpose, we represent the American option price as the supremum of the expected payoff over a set of randomized exercise strategies. Unlike the corresponding classical representation over subsets of Euclidean space, this relax- ation gives rise to a well-behaved objective function that can be globally optimized using standard optimization routines.

This thesis provides insight into quantitative accuracy assessment of the modeling and simulation of power electronic converters. Verification, Validation, and Uncertainty quantification (VVandUQ) provides a means to quantify the disagreement between computational simulation results and experimental results in order to have quantitative comparisons instead of qualitative comparisons. Due to the broad applications of modeling and simulation in power electronics, VVandUQ is used to evaluate the credibility of modeling and simulation results. The topic of VVandUQ needs to be studied exclusively for power electronic converters. To carry out this work, the formal procedure for VVandUQ of power electronic converters is presented. The definition of the fundamental words in the proposed framework is also provided. The accuracy of the switching model of a three-phase Voltage Source Inverter (VSI) is quantitatively assessed following the proposed procedure. Accordingly, this thesis describes the hardware design and development of the switching model of the three-phase VSI. / Master of Science

This research presents the methodologies used to resolve the Nuclear Regulatory Commission Generic Safety Issue 191. The presented results are specific to South Texas Project Nuclear Operating Company (STPNOC). However, the proposed methodologies may be applicable to other nuclear power plants given the appropriate plant-specific frequencies. This research provides important inputs to CASA Grande, a computer program used to model physical phenomena and quantify uncertainties to obtain estimates of failure probabilities for post-loss-of-coolant accident events at the STPNOC containment. We provide modeling and sampling methods for loss-of-coolant accident (LOCA) frequencies and break sizes. We focus on a study known as NUREG-1829 (Tregoning et al., 2008), which includes an expert elicitation of quantiles governing the (annual) frequency of a LOCA in boiling water reactors and pressurized water reactors. We propose to model LOCA frequencies with bounded Johnson distributions and to sample break sizes using uniform distributions. We then develop a new method to distribute LOCA frequencies to different locations within a plant to account for the location-dependent differences while preserving the NUREG-1829 frequencies. We also propose to linearly interpolate the NUREG-1829 LOCA frequencies to obtain the frequencies for any break sizes other than those from NUREG-1829. In addition, we present a method to obtain the distribution of LOCA frequency within a break-size interval providing important inputs to the probabilistic risk assessment quantification for STPNOC. We review methods of combining the probability distributions of multiple experts to obtain a single probability distribution. More specifically, we describe the relative merits of the arithmetic mean (AM) and geometric mean (GM) as ways of performing this aggregation in the context of probabilities associated with rare events. Examining a set of pressurized water reactor results from NUREG-1829, we conclude that the GM represents a consistently sensible notion of the middle of the opinions expressed by nine experts. We further conclude that the AM is inappropriate for representing the center of the group's opinion for large effective break sizes. Instead, as the break size grows large a single expert's opinion dominates the combination produced by the AM. / text

Because of its thermochemical qualities, ammonia is an attractive alternative to carbon-based fuels. Indeed, the lack of carbon atoms in its molecular structure and the ease of storage make its widespread use desirable. However, there are a number of technological challenges that must be overcome due to the slow burning rate and its large latent heat. The objective of the dissertation is to model ammonia spray flames because direct liquid fuel injection in a combustion chamber is an essential aspect of the design of practical devices. The topic has been divided into a number of sub-problems, which are examined in each chapter of the thesis, due to the lack of fundamental physical details of the individual processes occurring and modeling considerations that cannot be ignored anymore.To better understand how the large latent heat affects the spray dynamics, a campaign of direct numerical simulations is initially performed at various ambient temperatures. Then, conducting large eddy simulations is preferred to lower the computational cost. The assessment of the dispersion models showed that the available options, however, are unable to reproduce the averaged droplet distribution across the entire domain and an improved model is proposed. Droplet evaporation causes local inhomogeneities in the mixture, which simultaneously induces multiple combustion modes. The Darmstadt Multi-Regime Burner (MRB) was the ideal candidate to investigate the physical aspects in advance. The best option for capturing its flame structure was the physically-derived multi-modal manifold and a regime classification index is formulated and tested on the MRB.Then, a machine learning strategy based on neural networks is suggested to quicken the look-up procedure, and preliminary validation of the methodology revealed that a time reduction of 30% is achieved without affecting the results' accuracy.

Einzelschichten von Graphen-Nanobänders (GNRs) wurden auf SiC(0001)-Substraten mit zwei unterschiedlichen Fehlschnitten bei Temperaturen von 1410 bis 1460 °C synthetisiert. Das GNR-Wachstum lässt sich bei niedriger Stufenkantenhöhe am besten durch eine exponentielle Wachstumsrate, welche mit der Energiebarriere für die Ausdiffusion von Si korreliert ist. Anderseits wird bei Substraten mit höheren Stufenkanten eine nicht-exponentielle Rate beobachtet, was mit der Bildung von mehrlagigen Graphen an den Stufenkanten in Verbindung gebracht wird. Die Sauerstoffinterkalation von epitaktischen GNRs mittels Ausglühen an Luft von Bändern wird als nächstes untersucht, welche auf unterschiedlichen SiC-Substraten gewachsen wurden. Neben der Umwandlung von monolagigem zu zweilagigem Graphen in der Nähe der Stufenkanten von SiC, führt die Sauerstoffinterkalation zusätzlich zu der Bildung einer Oxidschicht auf den Terrassen des Substrats, was die zweilagigen GNRs elektrisch isoliert voneinander zurücklässt. Die elektrische Charakterisierung der zweilagigen GNRs zeigten dass die Bänder durch die Behandlung mit Sauerstoff elektrisch voneinander entkoppelt sind. Eine robuste Lochkonzentration von etwa 1x10¹³ cm-² und Mobilitäten von bis zu 700 cm²/(Vs) wurden für die GNRs mit einer typischen Breite von 100 nm bei Raumtemperatur gemessen. Wohl definierte Mesastrukturen gebildet mittels Elektronenstrahllithographie auf SiC-Substraten, wurde zuletzt untersucht. Die Charakterisierung des Ladungsträgertransports von GNRs die auf den Seitenwänden der strukturierten Terrassen gewachsen wurden, zeigt eine Mobilität im Bereich von 1000 bis 2000 cm²/(Vs), welche für verschiedene Strukturen auf der gesamten Probe homogen ist, was die Reproduzierbarkeit dieses Herstellungsverfahrens hervorhebt, sowie dessen Potential für die Implementierung in zukünftigen Technologien, welche auf epitaktischgewachsenene GNRs basieren. / Monolayer graphene nanoribbons (GNRs) were synthesized on SiC(0001) substrates with two different miscut angles at temperatures ranging from 1410 to 1460 °C. The GNR growth in lower step heights is best described by an exponential growth rate, which is correlated with the energy barrier for Si out-diffusion. On the other hand, a non-exponential rate is observed for substrates with higher steps, which is associated with the formation of few-layer graphene on the step edges. Oxygen intercalation of epitaxial GNRs is investigated next by air annealing ribbons grown in different SiC(0001) substrates. Besides the conversion of monolayer into bilayer graphene near the step edges of SiC, the oxygen intercalation also leads to the formation of an oxide layer on the terraces of the substrate, leaving the bilayer GNRs electronically isolated from each other. Electrical characterization of bilayer GNRs reveals that the ribbons are electrically decoupled from the substrate by the oxygen treatment. A robust hole concentration of around 1x10¹³ cm-² and mobilities up to 700 cm²/(Vs) at room temperature are measured for GNRs whose typical width is 100 nm. Well defined mesa structures patterned by electron beam lithography on the surface of SiC substrates is lastly researched. Transport characterization of GNRs grown on the sidewalls of the patterned terraces shows a mobility in the range of 1000 – 2000 cm²/(Vs), which is homogeneous for various structures throughout the sample, indicating the reproducibility of this fabrication method and its potential for implementation in future technologies based on epitaxially grown GNRs.

Die Materialeigenschaften und Dauerhaftigkeit von zementgebundenen Baustoffen hängen von den Hydratationsbedingungen und dem Wiederstand gegen chemische Angriffe während bzw. nach der Fertigstellung eines Bauwerkes ab. In dieser Arbeit wurden experimentelle Aufbauten entwickelt, um in diesen Zeiträumen von zementgebundenen Baustoffen die Änderungen des Phasenbestandes hochaufgelöst zu untersuchen. Sie basieren auf Röntgenbeugungsexperimente unter der Nutzung intensiver Synchrotronstrahlung. Dieses ermöglicht einen detaillierten Einblick in die Dynamik der Hydratationsprozesse im Frühstadium und die Änderung des Phasenbestandes durch alltägliche Lösungen. / The material properties and life time of cementitious materials depends on both hydration conditions and resistance against chemical attacks during and after the construction of buildings respectively. In this study, experimental setups were developed to investigate the changes of the phase composition with a high resolution during this different time periods of cementitious materials life. They based on X-Ray diffraction methods using intensive synchrotron radiation. This provides a detail view into the dynamics of the hydration processes at early ages and the change of the phase composition due to interaction with common solution.

Nowadays, earthquakes are one of the most catastrophic natural events that have a significant human, socio-economic and environmental impact. Besides, based on both observations of damage following recent major/moderate seismic events and numerical/experimental studies, it clearly emerges that critical non-structural components (NSCs) that are ubiquitous to most industrial facilities are particularly and even disproportionately vulnerable to those events. Nonetheless and despite their great importance, seismic provisions for industrial facilities and their process equipment are still based on the classical load-and-resistance factor design (LRFD) approach; a performance-based earthquake engineering (PBEE) approach should, instead, be preferred. Along this vein, in recent years, much research has been devoted to setting computational fragility frameworks for special-risk industrial components and structures. However, within a PBEE perspective, studies have clearly remarked: i) a lack of definition of performance objectives for NSCs; ii) the need for fully comprehensive testing campaigns data on coupling effects between main structures and NSCs. In this respect, this doctorate thesis introduces a computational framework for an efficient and accurate seismic state-dependent fragility analysis; it is based on a combination of data acquired from an extensive experimental shake table test campaign on a full-scale prototype industrial steel frame structure and the most recent surrogate-based UQ forward analysis advancements. Specifically, the framework is applied to a real-world application consisting of seismic shake table tests of a representative industrial multi-storey frame structure equipped with complex process components, carried out at the EUCENTRE facility in Italy, within the European SPIF project: Seismic Performance of Multi-Component Systems in Special Risk Industrial Facilities. The results of this experimental research campaign also aspire to improve the understanding of these complex systems and improve the knowledge of FE modelling techniques. The main goals aim to reduce the huge computational burden and to assess, as well, when the importance of coupling effects between NSCs and the main structure comes into play. Insights provided by innovative monitoring systems were then deployed to develop and validate numerical and analytical models. At the same time, the adoption of Der Kiureghian's stochastic site-based ground motion model (GMM) was deemed necessary to severely excite the process equipment and supplement the scarcity of real records with a specific frequency content capable of enhancing coupling effects. Finally, to assess the seismic risk of NSCs of those special facilities, this thesis introduces state-dependent fragility curves that consider the accumulation of damage effects due to sequential seismic events. To this end, the computational burden was alleviated by adopting polynomial chaos expansion (PCE) surrogate models. More precisely, the dimensionality of a seismic input random vector has been reduced by performing the principal component analysis (PCA) on the experimental realizations. Successively, by bootstrapping on the experimental design, separate PCE coefficients have been determined, yielding a full response sample at each point. Eventually, empirical state-dependent fragility curves were derived.

Die vorliegende Arbeit befasst sich mit der Molekularstrahlepitaxie und Charakterisierung von CdSe und (Cd,Mn)Se-Quantenpunkten (QP) auf ZnSe-Puffer. Die QP werden durch einen thermisch aktivierten 2D-3D Übergang eines ursprünglich zweidimensionalen CdSe/(Cd,Mn)Se-Films erzeugt. Die Mechanismen der QP-Bildung werden in-situ mittels Reflexionsbeugung hochenergetischer Elektronen und Atom-Kraft-Mikroskopie (UHV-AFM) studiert. Ex-situ Untersuchungen an vergrabenen QP-Strukturen mittels Transmissionselektronenmikroskopie (TEM) und Photolumineszenz (PL) /Magneto-PL ergänzen die in-situ Analyse der CdSe Oberfläche. Die Kombination der Analysemethoden ermöglicht erstmalig den Nachweis, dass mit der thermischen Aktivierung eine Stranski-Krastanov-Morphologie aus CdSe QP, mit einem Kern aus reinem CdSe, auf einem geschlossenen CdSe Film erzeugt werden kann. Die statistische Auswertung im UHV-AFM ergibt eine mittlere QP-Höhe von 1,6 nm, eine QP-Dichte von 1100/µm² sowie einen Durchmesser von unterhalb 10 nm. Aus diesen Parametern lässt sich als oberes Limit des QP-Volumens ein Wert von < 0,15 ML ermitteln. TEM-Messungen ergeben, dass Interdiffusion bei der Bildung der QP sowie während dem Überwachsen von untergeordneter Bedeutung ist. Im UHV-AFM zeigt sich, dass CdSe-QP unter Labormaßstäben morphologisch stabil sind. Über einen Zeitraum von 5 Tagen, sowohl im UHV als auch an Umgebungsluft, sind bei Raumtemperatur keine Reifungserscheinungen der CdSe-QP-Morphologie beobachtbar. Das Studium der Bildungskinetik führt zu der Erkenntnis, dass der 2D-3D Übergang von einem zeitlich instabilen Ausgangszustand abhängig ist und somit kinetisch determiniert. Die experimentellen Befunde deuten darauf hin, dass unmittelbar nach dem Wachstum eine Glättung der Oberfläche auf atomarer Ebene einsetzt. In einem einfachen Modell wird die QP-Bildung als Superposition der Glättung und dem Verhältnis der Wahrscheinlichkeiten des Aufwärtssprungs zum Abwärtssprung zwischen zwei ML-Terrassen beschrieben. Erste Untersuchungen zum Wachstum von (Cd,Mn)Se QP ergeben, dass es mit der thermischen Aktivierung möglich ist bis zu einer Konzentration von ca. 10 % Mn (Cd,Mn)Se QP zu erhalten. Der Einbau des Mn bewirkt eine Reduktion der mittleren QP-Dichte und QP-Höhe. Experimente auf pseudomorphem und relaxiertem ZnSe-Puffer zeigen, dass der entscheidende Einfluss des Mn nicht in der Veränderung der Verspannung liegt, sondern in einer Veränderung der Oberflächendiffusivität. In magneto-optischen Untersuchungen der (Cd,Mn)Se-QP-Strukturen wird eindeutig der Riesen-Zeemaneffekt nachgewiesen. Es werden experimentell effektive g-Faktoren bis zu einem Wert von 220 ermittelt (B = 6T). Der Vergleich mit der Rechnung zeigt, dass das Mn in den QP eingebaut ist. In dieser Arbeit wird das Verständnis der II-VI-QP-Bildung erweitert und eine verbesserte Kontrolle des QP-Ensembles erreicht. Die erzeugten semimagnetischen Strukturen stellen einen Ausgangspunkt für weitergehende optische Experimente dar, an denen in naher Zukunft gezielt einzelne Spins manipuliert und studiert werden können. / In this work CdSe and (Cd,Mn)Se Quantum Dots (QD`s) are grown on ZnSe by molecular beam epitaxy. The QD`s are obtained within a thermicall activated 2D-3D transition of an initially two-dimensional CdSe/(Cd,Mn)Se thin film. The physics behind the 2D-3D transition is investigated in-situ by reflection of high energy electron diffraction and atomic force microscopy (UHV-AFM) measurements. Additionally ex-situ data gained on buried QD structures within Transmission Electron Microscopy (TEM) and Photoluminescence (PL) /Magneto-PL measurements are presented. The study proves for the first time that after the thermal activation a Stranski-Krastanov morphology is established. A statistical evaluation of the QD morphology by UHV-AFM supplies an average QD-height of about 1.6 nm, a QD-density of about 1100/µm² and an upper diameter of about 10 nm. The total QD volume is determined to a value of below 0.15 ML. TEM on overgrown structures reveals QD`s, with a core of pure CdSe, on a closed wetting layer. The data show that interdiffusion is of minor importance for the QD formation as well as during the overgrowth. The stability of the QD morphology is investigated with the UHV-AFM at room temperature. It is shown that the CdSe QD morphology is stable at UHV as well as ambient-air conditions over a time period of 5 days. The experiments demonstrate that CdSe QD`s do not ripen on a laboratory time scale. The investigation of the formation kinetics reveals that the 2D-3D transition is dependent from a unstable precursor state and is therefore determined by kinetics. The experiments indicate that immediately after growth the surface begins to smoothen on an atomar scale. In a simple model the QD formation is described as a superposition of the smoothening and the ratio of upwards and downwards hopping between two ML terraces. First investigations on the growth of (Cd,Mn)Se QD`s show that after the incorporation of up to 10 % Mn semimagnetic QD´s are obtained by the thermal activation. The incorporation of Mn leads to a reduction of the average QD density and QD height. Experiments on pseudomorphic and relaxed ZnSe buffer are compared. It is concluded that strain is not a crucial factor for the QD formation and that probably surface processes like diffusibility of the atomic species play an important role. Magneto-optical investigations of the (Cd,Mn)Se QD structures prove the appearance of the giant-Zeemaneffect. Effective g-values of about 220 have been measured (B = 6T). In a comparison with the calculation the incorporation of Mn into the QD`s is concluded. Within this work the comprehension of the II-VI QD formation is extended and an improved control over the QD morphology is reached. The produced semimagnetic QD structures appear as a starting point for future optical investigations concerning the control of single spins.

Die Entwicklung neuartiger transparenter Materialien durch Kombination von organischen Polymeren und anorganischen Füllstoffen wurde untersucht. Für die Synthese der nanoskopischen anorganischen Füllstoffe wurde der Sol-Gel-Prozess für Metallfluoride mit Magnesium angewandt und auf Zirkonium und Titan erweitert. Auch wurden neue Herstellungs- und Trocknungsmethoden für die daraus gewonnenen Xerogele variiert und optimiert. Die Charakterisierung der hergestellten Metallfluorid-Sole und daraus gewonnener Nanopartikel erfolgte mittels NMR- und IR-Spektroskopie sowie SAXS- und TEM-Messungen und Elementaranalysen. Zur homogenen Mischbarkeit von anorganischen Füllstoffen und organischer Polymermatrix sind Modifikationen der Partikeloberfläche notwendig. Diese erfolgten über kovalent gebundene, teilweise perfluorierte, Carbonsäuren. Der Fortschritt der Modifizierung sowie die Eigenschaften der erhaltenen modifizierten Nanopartikel wurden mittels NMR- und IR Spektroskopie, teilweise auch mittels TA, untersucht. Unter Verwendung verschiedener transparenter und industriell relevanter Polymermatrices konnten durch homogene Verteilung der Nanopartikel transparente Kompositmaterialien erhalten werden. Die Veränderung der mechanischen und thermischen Eigenschaften der einzelnen neuen Materialien im Vergleich zu den reinen Polymeren wurde mittels DSC, Zugversuchen und Nanoindentation bestimmt. Zusätzlich zu diesen Anwendungsbereichen wurde der Einsatz der Nanopartikel in Elektrodenmaterialien zur Steigerung der Lebensdauer von Akkumulatoren und daraus resultierender Leistungsverbesserung untersucht. / The development of new transparent materials by combination of organic polymers and inorganic fillers was investigated. The fluorolytic sol-gel process was used to prepare fluorine containing nanoscopic inorganic fillers with magnesium, zirconium and titanium as metal components. The preparation and drying methods for the synthesis of xerogels was varied and optimized. Characterization of the metal fluoride sols and the nanoparticles obtained from the sols was executed by NMR and IR spectroscopy as well as SAXS and TEM measurements and elemental analysis. To achieve homogeneous miscibility for the inorganic fillers with the organic polymer matrix modification of the particles’ surface is crucial. This was achieved by covalent attachment of carbon acids; in case of fluorine polymers perfluorinated carbon acids were used. The progress of surface modification and the properties of the modified nanoparticles were monitored by NMR and IR spectroscopy. Based on thermal analysis, thermal stability of the modified nanoparticles was investigated. The modified metal fluoride nanoparticles were introduced into transparent and for industrial applications relevant polymer matrices. A homogeneous distribution to transparent nano composite materials was observed. The alteration of mechanical and thermal properties of the new materials was investigated by DSC, tension tests and nanoindentation and compared with the unmodified pure polymers. Another field of application of these nanoparticles is their application on electrode materials with the aim to improve electrode lifetime and to achieve a better performance of rechargeable batteries.

Die Dissertation beschäftigt sich mit der Bestimmung der Oberflächenstruktur von Oxidkristallen. Die strukturelle Charakterisierung fand mittels der streifenden Streuung schneller Atome und Moleküle statt. Bei dieser Methode werden Atome oder Moleküle mit Energien im keV Bereich unter streifendem Einfall an einer Einkristalloberfläche gestreut. Sie werden unter axialer Gitterführung entlang niedrig-indizierter Kristallrichtungen gestreut und können mittels eines ortsauflösenden Detektors nachgewiesen werden. Bei hinreichend kleinen Energien werden Beugungserscheinungen beobachtet, die auf die Interferenz von Materiewellen zurückzuführen sind. Durch eine Analyse der Streuverteilung der Projektile, können Rückschlüsse auf das Wechselwirkungspotential und somit auf die Struktur der Oberfläche gezogen werden. Durch die Untersuchung der (100)- und (001)-Fläche konnten alle Gitterparameter des Ga2O3-Systems bestimmt werden. Die Messungen an der (100) Fläche lieferten Aufschluss über die Terminierung, für die ein alternatives Strukturmodell entwickelt wurde. Aufbauend auf der Entdeckung der longitudinalen Kohärenz bei der streifenden Streuung von Atomen an der Al2O3(11-20)-Fläche konnten die vorhandenen Messungen erweitert und ein effektives Auswerteprogramm entwickelt werden. Bei Messungen an der Al2O3(0001)-Fläche wurde ebenfalls das Auftreten einer longitudinalen Kohärenz beobachtet. Für beide Flächen wurden die jeweiligen Gitterparameter mit höchster Präzision bestimmt und die Intensitätsverteilung der Streubilder durch ein einfaches Modell beschrieben. Erstmalig in dieser Arbeitsgruppe konnte ein Wechselwirkungspotential für die Streuung von H2-Molekülen an einer KCl(001)-Fläche abgeleitet werden. Der im Experiment beobachtete drastische Unterschied in der Intensitätsmodulation der Beugungsreflexe mit der senkrecht-de Broglie Wellenlänge für gestreute Atome und Moleküle konnte mit Simulationen unter Verwendung des abgeleiteten Wechselwirkungspotentials erklärt werden. / This PhD thesis deals with the investigation of surface structures of oxide crystal surfaces. Therefore, the method of grazing scattering of fast atoms and molecules was applied. The projectiles are scattered with energies in the keV range under grazing incidence from a single crystal surface along low-indexed surface directions. They are recorded with a position sensitive detector. For sufficiently low energies diffraction patterns are observed that can be understood in terms of the interference of matter waves. By analyzing these patterns the interaction potential and in this manner the surface structure can be derived. The investigation of the (100) and (001) surface led to a determination of all lattice parameters of the Ga2O3 system so that it was possible to determine the termination of the (100) surface. An alternative structural model for this termination could be derived. After the discovery of a longithudinal coherence for the grazing scattering process on a Al2O3(11-20) surface, the existing measurements were expanded and an effective evaluation procedure was developed. In measurements on the Al2O3(0001) surface the longithudinal coherence was observed as well. For both surfaces, the lattice parameters could be determined with very high accuracy and the intensity distribution was described by a very simple model. For the first time in this working group the interaction potential for the scattering of H2 molecules from a KCl(001) surface could be deviated. The observed difference in the intensity distribution in dependence of the perpendicular de Broglie wavelength for scattered atoms and molecules could be explained by applying simulations using the deviated interaction potential.