Dilute Mg alloys are exclusively identified for wrought structural applications in automotive industry. Any improvement in mechanical properties of alloys is possible only by grain size refinement and by the development of suitable texture. The grain size, grain size anisotropy and texture in these alloys affect the compatibility stresses in a very complex manner. To launch a full scale study towards understanding the complex deformation mechanisms operating in these alloys, it is necessary to understand the effect of grain size and texture on the mechanical behavior of Mg alloys in a broad or semi-quantitative manner first. Current literature lacks such broad study. In this present study, the effect of grain size, grain size anisotropy and texture evolution on the mechanical properties are examined in order to develop an understanding of the deformation mechanism that control the mechanical properties of a dilute conventionally extruded Mg alloy, AZ21. The approach adopted was to first study the microstructure and texture evolution in this conventionally extruded alloy. Since the grain sizes in these alloys vary over a wide range, it is hence necessary to study the microstructure evolution in a highly quantitative manner. In understanding texture, the present study is only limited to qualitatively evaluating the evolution of fibre component of texture using X-Ray Diffraction spectra. For truly quantitative microstructure evolution results in materials were grains sizes are spread over a wide range, it is critical to study a statistically enough no. of grains. Hence to avoid any sampling error, large montages (about 0.3 sq. mm) were constructed out of a series of high resolution images captured using an optical microscope. The montages so constructed are subjected to extensive image enhancement and various other operations are performed to convert these coloured to binary montages. Information like grain size, diameter etc., can be easily extracted from these binary montages and used for further analysis. Fibre texture in these conventionally extruded dilute Mg alloys generally develops due to alignment of basal planes along the direction of extrusion. The Critical Resolved Shear Stress for basal slip is very low when compared to that of non-basal planes. And also since there are very limited primary slip systems in these dilute Mg alloys, the development of strong fibre texture drastically changes the compatibility stresses and hence the mechanical properties . To broadly study the effect of microstructure-texture on mechanical proerties, after post extrusion annealing, heat treatments representing typical microstructure-texture combinations were identified. Effect of each microstructure-texture combination on the tensile and completely reversed cyclic fatigue properties are studied and qualitatively interpreted. The fibre texture showed pronounced effect on tensile ductility but it hardly affected the yield strength. With just 10% reduction in BPI, the ductility reduced by about 50%. A small change in average grain size did not alter the yield strength. Unlike tensile ductility, fatigue endurance stress was not altered drastically by the change in grain size or texture. But there appeared to be a significant effect of residual stress. In ending, a small change in microstructure-texture combination in these conventionally extruded alloys has a pronounced effect on ductility or in other words plastic properties. But a it has minimal effect on yield strength and fatigue endurance stress.

No description available.

<p>Dry etching is an important technique for pattern transferin fabrication of most opto-electronic devices, since it canprovide good control of both structure size and shape even on asub-micron scale. Unfortunately, this process step may causedamage to the material which is detrimental to deviceperformance. It is therefore an objective of this thesis todevelop and investigate low damage etching processes for InPbased devices.</p><p>An ion beam system in combination with hydrocarbon (CH₄) based chemistries is used for etching. At variousion energies and gas flows the etching is performed in twomodes, reactive ion beam etching (RIBE) and chemical assistedion beam etching (CAIBE). How these conditions affect both etchcharacteristics (e.g. etch rates and profiles, surfacemorphology and polymer formation) and etch induced damage (onoptical and electrical properties) is evaluated and discussed.Attention is also paid to the effects of typical post etchingtreatments such as annealing on the optical and electricalproperties. An important finding is the correlation betweenas-etched surface morphology and recovery/degradation inphotoluminescence upon annealing in PH₃. Since this type of atmosphere is typical forcrystal regrowth (an important process step in III/Vprocessing) a positive result is imperative. A low ion energy N₂/CH₄/H₂CAIBE process is developed which not onlysatisfies this criteria but also exhibits good etchcharacteristics. This process is used successfully in thefabrication of laser gratings. In addition to this, the abilityof the ion beam system to modify the surface morphology in acontrollable manner is exploited. By exposing such modifiedsurfaces to AsH₃/PH₃, a new way to vary size and density of InAs(P)islands formed on the InP surfaces by the As/P exchangereaction is presented.</p><p>This thesis also proposes a new etch chemistry, namelytrimethylamine ((CH₃)₃N or TMA), which is a more efficient methyl sourcecompared to CH₄because of the low energy required to break the H₃C-N bond. Since methyl radicals are needed for theetching it is presumably a better etching chemistry. A similarinvestigation as for the CH₄chemistry is performed, and it is found that bothin terms of etch characteristics and etch induced damage thisnew chemistry is superior. Extremely smooth morphologies, lowetch induced damage and an almost complete recovery uponannealing can be obtained with this process. Significantly,this is also so at relatively high ion energies which allowshigher etch rates.</p><p><b>Keywords:</b>InP, dry etching, ion beam etching, RIBE,CAIBE, hydrocarbon chemistry, trimethylamine, As/P exchangereaction, morpholoy, low damage, AFM, SCM, annealing</p>

No description available.

In dieser Arbeit wird eine Beschreibung von Monte-Carlo-Verfahren zur Lösung komplexer Optimierungsaufgaben mit Hilfe von Markov-Ketten durchgeführt. Nach einer kurzen Einführung werden Lösungsmenge solcher Aufgaben und der physikalische Zustandsraum komplexer Systeme identifiziert. Zunächst wird die Dynamik von Zufallswanderern im Zustandsraum mit Hilfe von Master-Gleichungen modelliert. Durch Einführung von Performanzkriterien können verschiedene Optimierungsstrategien quantitativ miteinander verglichen werden. Insbesondere wird das Verfahren Extremal Optimization vorgestellt, dass ebenfalls als Markov-Prozess verstanden werden kann. Es wird bewiesen, dass eine im Sinne der genannten Kriterien beste Implementierung existiert. Da diese von einem sogenannten Fitness Schedule abhängt, wird dieser für kleine Beispielsysteme explizit berechnet. Daran anschließend wird die Zustandsdichte komplexer Systeme betrachtet. Nach einem kurzen Überblick über vorhandene Methoden folgt eine detaillierte Untersuchung des Verfahrens von Wang und Landau. Numerische und analytische Hinweise werden gegeben, nach denen dieser Algorithmus innerhalb seiner Klasse wahrscheinlich der Optimale ist. Eine neue Methode zur Approximation der Zustandsdichte wird vorgestellt, die insbesondere für die Untersuchung komplexer Systeme geeignet ist. Abschließend wird ein Ausblick auf zukünftige Arbeiten gegeben.

Το αντικείμενο της έρευνας της παρούσας εργασίας είναι η ατομιστική προσομοίωση της ρόφησης αερίων μέσα σε ζεολιθους, καθώς και η επίδραση της θερμοκρασίας στην δομή του και την ροφητική του ικανότητα. Από τους σχεδόν 200 συνθετικούς και φυσικούς ζεολίθους, επιλέχθηκε ο φωγιασίτης, ο οποίος αποτελεί ένα πολλά υποσχόμενο υλικό με πλήθος εφαρμογών, όπως η ρόφηση, η αποθήκευση και ο διαχωρισμός αερίων, αλλά και σε τομείς όπως η κατάλυση και η δημιουργία συσκευών ανίχνευσης αερίων. Στα πλαίσια της παρούσας εργασίας εξετάστηκε η αλληλεπίδραση των κατιόντων της δομής με μόρια διαφόρων αερίων, τα οποία ροφούνται στον φωγιασίτη, καθώς και ο βαθμός στον οποίο αυτή η αλληλεπίδραση επηρεάζει την ποσότητα του αερίου που μπορεί να ροφηθεί. Πιο συγκεκριμένα, αρχικά ανακατασκευάστηκε στον υπολογιστή η δομή της μοναδιαίας κυψελίδας του φωγιασίτη και έγινε μοντελοποίηση της ρόφησης μορίων CO2 και Η2 μέσα στην ανακατασκευασμένη κυψελίδα ως συνάρτηση της θερμοκρασίας, του λόγου Si/Al στον κρύσταλλο, και της σύστασής του σε μη πλεγματικά κατιόντα. Στο τμήμα αυτό έγινε η θεώρηση ότι η δομή μένει αμετάβλητη με την είσοδο των μορίων του αερίου. Στην συνέχεια μελετήθηκε η επίδραση της θερμοκρασίας στην θέση των ιόντων, των ατόμων του πλέγματος και στο μέγεθος της μοναδιαίας κυψελίδας, καθώς και η περαιτέρω επίδραση που φέρουν αυτές οι αλλαγές στη ρόφηση. Τα αποτελέσματα της ρόφησης συγκρίθηκαν με πειραματικά δεδομένα. Τέλος, μοντελοποιήθηκε η διάχυση του CO2 μέσα στον φωγιασίτη και υπολογίστηκε ο συντελεστής διαχύσεως σε διάφορες θερμοκρασίες. Τα αποτελέσματα της μοντελοποίησης συγκρίθηκαν με αντίστοιχα αποτελέσματα από πειραματική μέτρηση του συντελεστή διαχύσεως του αερίου στον φωγιασίτη. Η αναπαράσταση του υλικού και των φαινομένων της ρόφησης έγινε σε ατομιστικό επίπεδο, με την χρήση μεθόδων Monte Carlo, ενώ η μοντελοποίηση της συμπεριφοράς του φωγιασίτη με τις μεταβολές της θερμοκρασίας πραγματοποιήθηκε χρησιμοποιώντας τη μέθοδο της προσομοιωμένης ανόπτησης. Η διάχυση μοντελοποιήθηκε με την μέθοδο της μοριακής δυναμικής. / -

Graphene, a two-dimensional counterpart of three-dimensional graphite, has attracted significant interest, due to its distinctive electrical and mechanical properties, for developing electronic, optoelectronic, and sensor technologies. In general, doping of graphene is important, as it gives rise to p-type and n-type materials, and it adjusts the work function of the graphene. This adjustment is necessary in order to control charge injection and collection in devices such as solar cells and light emitting devices. Current methods for graphene doping involve high temperature process or interactions with chemicals that are not stable. Moreover, the process of transferring graphene from its growth substrate and its exposure to the environment results in a host of chemical groups that can become attached to the film and alter its electronic properties by accepting or donating electrons/holes. Intentional and controllable doping of the graphene, however, requires a deeper understanding of the impact of these groups. The proposed research will attempt to clarify the unintentional doping mechanism in graphene through adsorption or desorption of gas/vapor molecules found in standard environments. A low temperature, controllable and defect-free method for doping graphene layers will also be studied through modifying the interface of graphene and its support substrate with self-assembled monolayers (SAMs) which changes the work function and charge carriers in the graphene layer. Furthermore, current methods of chemical vapor deposition synthesis of graphene requires the film to be transferred onto a second substrate when the metal layer used for growth is not compatible with device fabrication or operation. To address this issue, the proposed work will investigate a new method for wafer scale, transfer-free synthesis of graphene on dielectric substrates using new carbon sources. This technique allows patterned synthesis on the target substrate and is compatible with standard device fabrication technologies; hence, it opens a new pathway for low cost, large area synthesis of graphene films.

Establishing group structure in complex networks is potentially very useful since nodes belonging to the same module can often be related by commonalities in their biological function. However, module detection in complex networks poses a challenging problem and has sparked a great deal of interest in various disciplines in recent years [5]. In real networks, which can be quite complex, we have no idea about the true number of modules that exist. Furthermore, the structure of the modules may be hierarchical meaning they may be further divided into sub-modules and so forth. Many attempts have been made to deal with these problems and because the involved methods vary considerably they have been difficult to compare [5]. The objectives of this thesis are (i) to create and implement a new algorithm that will identify modules in complex networks and reconstruct the network in such a way so as to maximize modularity, (ii) to evaluate the performance of a new method, and compare it to a popular method based on a simulated annealing algorithm, and (iii) to apply the new method, and a comparator method, to analyze the metabolic network of the bacterial genus Listeria, an important pathogen in both agricultural and human clinical settings.

A great interest has been shown for self-assembled organic nano-structures that can be used in a variety of optoelectronic applications, from element detection to home electronics. It is known from experimental research that sexiphenyl (6P) grown on muscovite mica substrate form uniaxially self-assembled nanofibers which together with sexithiophene (6T) deposited on top gives the possibility to tune their polarized emission. A key to continue develop and explore the full potential of this technique is to understand the mechanisms behind the growth. This thesis investigate the initial growth of 6P and 6T on a 6Pˆ<img src="http://www.diva-portal.org/cgi-bin/mimetex.cgi?%5Cleft(11%20%5Cbar%7B1%7D%20%5Cright)%20%20%20" /> nanofiber substrate through Molecular Dynamics (MD) simulations. The adsorption of the molecules has been simulated with Simulated Annealing (SA) where 6P align perfectly with the substrate for all coverage while 6T starts to align after a certain amount of coverage. Both molecules show a monotonic increase in the adsorption energy per molecule with an increasing coverage. The surface diffusion of the molecules has been studied and shows a higher movement for both in the direction of the longmolecular axis. / Project P25154-N20 "Hetero-epitaxy of organic-organic nanofibers"

Oxides form a class of material which covers almost all the spectra of functionalities : dielectricity, semiconductivity, metallicity superconductivity, non-linear optics, acoustics, piezoelectricity, ferroelectricity, ferromagnetism...In this thesis, crystalline oxides have beenintegrated on the workhorse of the semiconductor industry, the silicon, by Molecular Beam Epitaxy (MBE).The first great interest of the epitaxial growth of crystalline oxides on silicon consists in the application of "high-k" dielectric for future sub-22nm CMOS technology. Gadoliniumoxide was explored in detail as a promising candidate of the alternative of SiO2. The pseudomorphic epitaxial growth of Gd2O3 on Si (111) was realized by identifying the optimal growth conditions. The Gd2O3 films show good dielectric properties and particularly an EOTof 0.73nm with a leakage current consistent with the requirements of ITRS for the sub-22nmnodes. In addition, the dielectric behavior of Gd2O3 thin films was further improved by performing PDA treatments. The second research interest on crystalline oxide/Si platform results from its potential application for the "More than Moore" and "Heterogeneous integration" technologies. TheSrTiO3/Si (001) was intensively studied as a paradigm of the integration of oxides on semiconductors. The crystallinity, interface and surface qualities and relaxation process of the STO films on silicon grown at the optimal conditions were investigated and analyzed. Several optimized growth processes were carried out and compared. Finally a "substrate-like" STO thin film was obtained on the silicon substrate with good crystallinity and atomic flat surface. Based on the Gd2O3/Si and SrTiO3/Si templates, diverse functionalities were integrated on the silicon substrate, such as ferro-(piezo-)electricity (BaTiO3, PZT and PMN-PT),ferromagnetism (LSMO) and optoelectronics (Ge). These functional materials epitaxially grown on Si can be widely used for storage memories, lasers and solar cells, etc.