No description available.

In recent years, palladium (Pd) has been extensively studied for a possible alternative for Pt that has been most commonly used as a catalyst in fuel cells. However, Pd shows lower activity than Pt towards the cathodic oxygen reduction reaction (ORR) and also exhibits poor tolerance toward carbon monoxide (CO) poisoning occurring in the anode process. To improve its performance, alloying Pd with other transition metals has been suggested as one of promising solutions as the Pd-based alloys have been found to boost the ORR activity and yield significant improvement in the CO tolerance. However, a detailed understanding of the alloying effects is still lacking, despite its importance in designing and developing new and more cost effective fuel cell catalysts. This is in large part due to the difficulty of direct characterization. Alternatively, computational approaches based on quantum mechanics have emerged as a powerful and flexible means to unravel the complex alloying effects in multimetallic catalysts; such first principles-based computational studies have provided many invaluable insights into the mechanisms of catalytic reactions occurring on the alloy surfaces. Using first-principles density-functional theory calculations, we have examined the surface reactivity of Pd-based bimetallic catalysts with the aim of better understanding the alloying effects in association with atomic arrangement, facet, local strain, ligand interaction, and effective atomic coordination number at the surface. More specifically, this thesis work has focused on examining the following topics: Role of Pd ensembles in selective H₂O₂ formation on AuPd alloys; Effect of local strain and low-coordination number at the surface on the performance of Pd monomer in selective H₂O₂ formation; Different facet effects on the activity of Pd ensembles towards ORR; Structure of ternary Pd-Ir-Co alloys and its reactivity towards ORR; Pd ensembles effects on CO oxidation on CO-precovered Pd ensembles; Role of ligand and ensembles in determining CO chemisorptions on AuPd and AuPt. Our first principles-based theoretical investigation of bimetallic alloys offers some insights into the rational design and development of alloyed catalysts. / text

Hydroxyapatite (HA, Ca₁₀(PO₄)₆(OH)₂) is one of the most abundant materials in mammal bone. It crystallizes in an aqueous environment within spaces between tropocollagen protein chains. However, despite its abundance and possible usefulness in the medical field this complex physical system remains poorly understood to date. We present a theoretical study of the energetics of hydroxyapatite, its electronic, mechanical and thermodynamic properties. Our mechanical and thermodynamic properties from first principles are in excellent agreement with the rare available experimental data. The monoclinic and hexagonal phases are lowest in energy. A comparison of the phonon dispersions of these two phases reveals that a phase transition occurs due to a difference in vibrational free energy. The transition is of order-disorder type. Our calculated phase transition temperature is 680 K, in decent agreement with the experimentally determined 470 K. An alternative theoretical model yields 882 K. The phase transition is mediated by OH libration modes. We also report for the first time on a peculiarity in the phonon spectrum of hexagonal and monoclinic HA. When studying the Lyddane-Sachs-Teller shifts in the spectrum close to the [Gamma]-point we identify two vibration modes showing a systematically increasing Lyddane-Sachs-Teller shift in frequency with decreasing dielectric constant. In experiment, the dielectric constant varies between 5 and 20 depending on the Ca/P ratio in the sample. The frequency shifts in the affected modes are as large as 20 cm⁻¹ as one spans the range of the dielectric constant. Thus, a simple spectroscopic analysis of a sample of bone may determine the quality of the sample in a physiological sense. We also identify the chemically stable low energy surface configurations as function of the OH, PO₄ and Ca concentration. In the experimentally relevant OH-rich regime we find only two surfaces competing for lowest energy. The surface most stable over almost the entire OH-rich regime is OH-terminated, and is currently being investigated in the presence of water and atomic substitutions on the HA surface. / text

Ἡ παροῦσα μελέτη ἀποτελεῖ διπλωματική ἐργασία στό Τμῆμα Φιλοσοφίας τοῦ Πανεπιστημίου Πατρῶν. Μέ αὐτή θά ἀποπειραθοῦμε νά ἀναλύσουμε μέρος ἑνός ἀπό τά ἔργα τοῦ σπουδαιότερου, ἴσως, ἀρχαίου Ἕλληνα φιλοσόφου, τοῦ Ἀριστοτέλη. Πρόκειται γιά τό ἔργο «Φυσικῆς Ἀκροάσεως Α΄» καί συγκεκριμένα γιά τά κεφάλαια 6, 7, 8 καί 9 τοῦ ἔργου. Τά παραπάνω κεφάλαια τοῦ Ἀριστοτελικοῦ ἔργου παρουσιάζονται καί ἀναλύονται σέ ἀντίστοιχα κεφάλαια αὐτῆς τῆς ἐργασίας. Προτάσσεται γενική εἰσαγωγή, στήν ὁποία παρουσιάζεται συνοπτικά τό περιεχόμενο τῆς ἐργασίας καί ἀναφέρονται κάποια βασικά βιογραφικά στοιχεῖα τοῦ μεγάλου πανεπιστήμονα φιλοσόφου, τό ἔργο τοῦ ὁποίου κατέχει ἐξέχουσα θέση στήν παγκόσμια φιλοσοφία καί ἐπιστήμη. Ἀπό τή θέση αὐτή ἐκφράζω τίς θερμές εὐχαριστίες μου στόν ἐπιβλέποντα κ. Στασινό Σταυριανέα, Λέκτορα τοῦ Τμήματος Φιλοσοφίας τοῦ Πανεπιστημίου Πατρῶν, τόσο γιά τή βοήθειά του στήν ἐπιλογή τοῦ θέματος, ὅσο καί γιά τήν πολύτιμη καθοδηγησή του στήν πορεία τῆς ἐργασίας, καθώς καί ὅλους ὅσοι μέ κάθε τρόπο μέ βοήθησαν ἤ μέ διευκόλυναν στήν ὁλοκλήρωση αὐτῆς τῆς ἐργασίας. / This study consists dissertations in section Philosophy, University of Patras. With that attempts at analysis by one of his works, perhaps most importantly, Ancient Greek philosopher, Aristotle. The project is called "Natural Hearing A΄" and specifically on chapters 6, 7, 8 and 9 of the project. The above chapters Aristotle work presented and analyzed in respective chapters of this work. Preceded by a general introduction which summarizes the content of work and specifying some basic biographical information on major universities philosopher, whose work occupies a prominent position in world philosophy and science. From this position I express my warmest thanks to Supervisor Mr. Stasinos Stavrianeas, Lecturer of the Department of Philosophy, University of Patras, both for his help in choosing the subject and for valuable guidance in the course of work, and all those who in any way helped or by facilitated Consummation this work.

The purpose of this study was to: obtain and review guidelines for designing on a small screen from several theoretic sources and to purpose own guidelines for this context. There was chosen for the development of 3 different prototypes meant for the use on 3 different mobile devices. Those mobile devices had a different screen size and were: an e-reader, PDA and mobile phone. The prototypes provided the user with a future e-newspaper service (a TV schedule). First design principles for good usability on small screens were abstracted from literature. With this knowledge the three prototypes were developed. The development started with writing down the functional and user requirements for the prototypes. After that the developing process had two stages. The first stage was a low-fidelity prototype, this were sketches of the graphical user interface that was commented by users. The second stage was a high-fidelity prototype, this stage consisted of three fully functional prototypes. The three different prototypes were used in a user evaluation. After the evaluation interviews with the users took place to obtain additional information. In this research the main question was: “What are the challenges for designing the (graphical) user interface, as a part of an e-newspaper service which is aimed at use on multiple devices with heterogeneous screen sizes, to be recognized as the same service?”. The results from this research are three challenges in designing the (graphical) user interface for devices with small screens. These challenges are: how to make the user recognize the service in the software (recognition of service), how to develop one service on multiple devices (use on multiple devices) and how to develop software that it is useful and pleasant to use (usable software). In total fifteen guidelines derived from theory were found, this research shows that thirteen of them are applicable when designing for small screens. Three of those thirteen are reformulated in this study to make them fit better in the context. Next to this, seven additional guidelines were proposed in this study. Examples of the purposed guidelines are: reconstruct the layout from the non-digital service in the interface as much as possible, explore the targeted user group, built further on their mental model and pay attention to possible disabilities of the group, implement extra’s that give users a good reason to use the service and make it easy for the user to select the sought information.

This Master thesis is about applying creative production methods and principles of design (from applied- and fine arts) to a music production process. The aim is to analyse and describe a musical process where instead of music theory-based principles and thinking; principles and aesthetics of design were converted to musical ideas through cross-disciplinary thinking and analysis. This thesis is mostly delving on the editing and mixing aspects of creative music production: how a change of perspective and principles influenced the musical results. / <p>Bilaga: 1 audio-CD och 1 data-CD</p>

Baltų vardyno tyrimo principai Huberto Gurnovičiaus tekstuose Summary Hubert Górnowicz – profesorius, onomastinės mokyklos Gdanske įkūrėjas. Jo susidomėjimų ir darbo sritis plati. Tai ir dialektologija, ir toponimija, ir antroponimija. Kalbininko nuopelnai mokslui nemaži. Jis daug nusipelnė baltų vardyno tyrimui, ypač prūsų vardyno tyrimui. Darbo objektas – H. Gurnovičiaus mokslinė veikla. Šio magistro darbo tikslas – aptarti Gurnovičiaus mokslinę veiklą; pateikti principus bei metodus, kuriais jis vadovavosi; nurodyti jo tyrimų, metodų skirtumus nuo kitų kalbininkų; išanalizuoti jo veikalus bei straipsnius (išrinkti iš Gurnovičiaus veikalų prūsų tikrinius vardus, surasti jų darybos pagrindą, identifikuoti šaknines morfemas, susiejant jas su baltų kalbų (prūsų, lietuvių, latvių ir kai kuriais atvejais su lenkų) apeliatyvais, antroponimais, nustatyti darybines morfemas); panagrinėti, kaip Gurnovičius atstato autentiškas prūsiškų vardų lytis, palyginti jo interpretaciją su kitų prūsų vardyno tyrėjų interpretacijomis. Darbe vartojamos sąvokos bei terminai. Lietuvių kalbotyroje onomastikos specialistų vartojami tiek tarptautiniai terminai, tiek lietuviški jų atitikmenys. Dažniausiai darbe vartojamas terminas yra toponimas arba vietovardis. Juo įvardijamas bet kurios gamtinės ar dirbtinės žemės paviršiaus vietos ar kitokio geografinio objekto tikrinis vardas. Vietovardžių rūšys yra įvairūs gyvenamųjų ir negyvenamųjų vietų vardai, pavyzdžiui, šalių, miestų, kaimų, kalnų, lygumų... [toliau žr. visą tekstą] / Hubert Górnowicz is the founder of the onomastic school in Gdansk. The field of his interests and work is wide. This is dialectology, toponymy as well as anthroponymy. He deserves a lot for his studies of the Baltic proper names index and especially for the Prussian proper names index. The subject of the thesis is the scientific activity of H. Górnowicz. The aim of this Master thesis is to discuss the scientific activity of Górnowicz; to present the principles and methods which he observed by studying the Baltic proper names index, to specify the differences of his research and methods by comparing them to other linguists; to analyze his treatises and articles (to pick out the Prussian proper names from the treatises of Górnowicz, to find the basis of their formation, to identify the root morphemes by relating them to the appellatives, anthroponyms of Eastern Baltic languages (Lithuanian, Latvian and in some cases Polish), to define word-building morphemes; to analyze how Górnowicz restores the authentic genders of Prussian names, to compare his interpretation with the interpretations of other Prussian proper names index researchers. Notions and terms used in the thesis. The specialists of onomastics use both international terms and their Lithuanian equivalents in Lithuanian linguistics. The term used most often in the thesis is a toponym or place-name. The proper name of any natural or artificial earth surface place or another geographical feature is defined by it. The types... [to full text]

There are different factors that contribute to the development of work ethics. One such factor is the individual in relation to the work, the organisation and the environment. Work ethics are believed to be related to performance, productivity and the disciplining of extreme misconduct. Work ethics are also associated with economic success. It is recommended that the organisation should find out more about work ethics and how work ethics could be to the advantage of the organisation. The general aim of this research was to determine the work ethic of the employees in the Platinum mine industry. Work ethics were defined in detail from the literature and the most important factors that influence it were analysed. A qualitative research design based on the phenomenological approach was used. The purpose of this was to understand the individual in his or her totality and to make a qualitative analysis of a person's conscious world. A questionnaire and interviews were used to determine employees' experience of work ethics. Content analysis was done to define, examine, analyse, quantify and interpret the research findings. The results of the empirical study were discussed according to the themes of religion, culture, individualism, group dynamics and organisational factors. It was found that factors influencing work ethics have different effects on different people. Etiology, determinants and work-related beliefs in different settings must also be taken into account. It was evident that people who espouse work ethics are more productive, successful and satisfied. Recommendations for future research were indicated. / Thesis (MA (Industrial Psychology))--North-West University, Potchefstroom Campus, 2004.

The main goal of this research was to apply first-principles electronic structure calculations to investigate atomic motions in several condensed materials. This thesis consists of five separate but related topics that are classified into two main categories: structure of materials under pressure and Li ion dynamics in lithium battery materials. The atomic structure of liquid gallium was investigated in order to resolve a controversy about an anomalous structural feature observed in the x-ray and neutron scattering patterns. We explored the pressure effect when modifying the liquid structure close to the solid-liquid melting line. The atomic trajectories obtained from first-principles molecular dynamics (FPMD) calculations were examined. The results clarified the local structure of liquid gallium and explained the origin of a peculiar feature observed in the measured static structure factor. We also studied the structure of a recently discovered phase-IV of solid hydrogen over a broad pressure range near room temperature. The results revealed novel structural dynamics of hydrogen under extreme pressure. Unprecedented large amplitude fluxional atomic dynamics were observed. The results helped to elucidate the complex vibrational spectra of this highly-compressed solid. The atomic dynamics of Li ions in cathode, anode, and electrolyte materials - the three main components of a lithium ion battery - were also studied. On LiFePO4, a promising cathode material, we found that in addition to the commonly accepted one-dimensional diffusion along the Li channels in the crystal structure, a second but less obvious multi-step Li migration through the formation of Li-Fe antisites was identified. This discovery confirms the two-dimensional Li diffusion model reported in several Li conductivity measurements and illustrates the importance of the distribution of intrinsic defects in the enhancement of Li transport ability. The possibility of using type-II clathrate Si136 as an anode material was investigated. It was found that lithiated Si-clathrates are intrinsic metals and their crystal structures are very stable. Calculations revealed the charge and discharge voltages are very low and almost independent of the Li concentrations, an ideal property for an anode material. Significantly, migration pathways for Li ions diffusing through the cavities of the clathrate structures were found to be rather complex. Finally, the feasibility of a family of Li3PS4 crystalline and nanoporous cluster phases were studied for application as solid electrolytes. It was found that the ionic conductivity in the nanocluster is much higher than in crystalline phases. It is anticipated that the knowledge gained in the study of battery materials will assist in future design of new materials with improved battery charge and discharge performance.

This thesis is an articulation of how the principles of socially-engaged Buddhism, a spiritual practice rooted in the teachings of the historical Buddha that integrates Buddhist practice and social activism, can enrich and enhance contemporary educational practice. It discusses Buddhist epistemology, metaphysics, ontology, psychology, ethics, and practice and relates these things to holistic education, critical pedagogy, SEL, and global education. On the basis of the theoretical understanding represented by that discussion, it articulates several theoretical principles that can be practically applied to the practice of teaching and learning to make it resonate with the theory and approach of sociallyengaged Buddhism. In integrating the implications of Buddhist teachings and practices with teaching and learning practice, it draws from bell hooks’ notion of “engaged pedagogy” in order to articulate a transformational, liberatory, and progressive approach to teaching called “socially-engaged pedagogy.” Socially-engaged pedagogy represents the notion that teaching and learning can be a practical site for progressive social action designed to address the real problem of suffering, both in the present and in the future, as it manifests in the world, exemplified by stress, illness, violence, war, discrimination, oppression, exploitation, poverty, marginalization, and ecological degradation.