In ungeordneten Fe70Pd30-Strukturen ermöglicht eine martensitische Umwandlung den magnetischen Formgedächtniseffekt, der in Aktoren genutzt werden kann. Der inverse Effekt kann für hochempfindliche Dehnungsmessungen verwendet werden. Eine Miniaturisierung zu Schichten ermöglicht Anwendungen in mikro- und nanoelektromechanischen Systemen. Ziel dieser Arbeit ist es, die magnetischen Eigenschaften in Abhängigkeit von der Struktur zu bestimmen und die gewünschte Kombination aus beiden auf dickere Schichten zu übertragen. In Kapitel 2 werden die strukturellen Aspekte im Fe-Pd-System und die Besonderheiten des Wachstums dünner Schichten betrachtet. In Kapitel 3 werden die Schichtherstellung mittels Kathodenzerstäubung und die verschiedenen Charakterisierungsmethoden kurz vorgestellt. Kapitel 4 zeigt den Einfluss durch verschiedene Zwischenschichten mit unterschiedlichen Gitterparametern auf die Kristall- und Elektronenstruktur sowie auf die magnetischen Eigenschaften von dünnen, epitaktischen Fe-Pd-Cu-Schichten. Untersuchungen zur kritischen Schichtdicke und Relaxationsmechanismen stehen in Kapitel 5 im Vordergrund. In Kapitel 6 wird die kombinatorische Schichtherstellung vorgestellt, die eine systematische Variation von Struktur und Zusammensetzung für eine praxisnahe Anwendung erlaubt. Außerdem werden Ergebnisse zu freien Schichten gezeigt und der Einfluss des Ablösens auf Morphologie und Struktur diskutiert.

Ständige Weiterentwicklungen von Behandlungsmöglichkeiten, die Technisierung der Medizin und die Liberalisierung des Gesundheitssystems führen auf Seiten der Versorger zu vermehrten Anstrengungen, die eigenen Geschäftsprozesse in Klinischen Pfaden zu dokumentieren, um auf dieser Basis eine medizinische und betriebswirtschaftliche Optimierung durchzuführen. Für die Entwicklung Klinischer Pfade ist die Einbeziehung Medizinischer Leitlinien unablässig, da sie für definierte Symptomkomplexe den aktuellen Stand der Forschung aggregieren. Gleichwohl sind sie Schulungsunterlagen, direkte Entscheidungshilfen oder Aufklärungsdokumente für Patienten und damit keinesfalls ausschließlich auf die Entwicklung Klinischer Pfade ausgerichtet. Dadurch geht die Leitlinien-getriebene Entwicklung Klinischer Pfade mit einem hohen interpretativen Aufwand auf Seiten der Anwender einher. Aus der Motivation diesen Prozess methodisch zu unterstützen, leitet sich die zentrale Forschungsfrage der Arbeit ab: Wie kann eine Methode gestaltet sein, die eine zielgerichtete Ableitung von Klinischen Pfaden aus Medizinischen Leitlinien zulässt? Dieser Frage nimmt sich die vorliegende Arbeit an und präsentiert einen referenzmodellbasierten Ansatz, diese bestehende methodische Lücke zu schließen. Das Lösungsartefakt setzt dabei direkt auf Seiten der Medizinischen Leitlinie an. Die Methode, kurz MAC, besteht aus drei Methodenfragmenten: dem Rollenmodell, in welchem die Aufgabenträgertypen und ihre Verantwortlichkeiten beschrieben werden, dem Produktfragment, welches den Entwurf einer Modellierungssprache zur Kodierung von Medizinischen Leitlinien und deren Wiederverwendung in Klinischen Pfaden auf Basis einer Referenzmodelladaption vorsieht, und dem Vorgehensmodell, in dem Handlungsanweisungen für die zuvor beschriebenen Aufgabenträgertypen spezifiziert sind. Die Arbeit leistet damit einen Beitrag zum Methodenspektrum der Wirtschaftsinformatik. Forschungsmethodisch ordnet sich die Arbeit in die gestaltungsorientierte Artefaktforschung (Design Science) ein.

This paper describes some results of a research study on conjecturing and proving in a dynamic geometry environment (DGE), and it focuses on particular cognitive processes that seem to be induced by certain uses of tools available in Cabri (a particular DGE). Building on the work of Arzarello and Olivero (Arzarello et al., 1998, 2002; Olivero, 2002), we have conceived a model describing some cognitive processes that may occur during the production of conjectures and proofs in a DGE and that seem to be related to the use of specific dragging schemes, in particular to the use of the scheme we refer to as maintaining dragging. This paper contains a description of aspects of the theoretical model we have elaborated for describing such cognitive processes, with specific attention towards the role of the dragging schemes, and an example of how the model can be used to analyze students’ explorations.

Against the background of increasing multidisciplinarity as well as the focus on quality, transparency and economic efficiency of medical services, clinical pathways (CPs) have been established as a promising tool at the organizational level in recent years. They are primarily intended to ensure an adequate description of the care processes and to manage the balance between best treatment practice and economic viability. CPs standardize the internal care services by explicating the institution-specific knowledge with regard to recommendations for action, service portfolio, organizational structures, infrastructure, etc. of a specific service provider. The development of hospital information systems (HIS) has so far been characterized by an evolutionary development of modules in the field of laboratory, radiology, nursing and picture archiving systems as well as in the area of administrative systems. As one result of this development, the HIS usually comprises a heterogeneous network of software systems of different types and manufacturers. However, the actual control of patients by means of evidence-based processes and integration of CPs into HIS was not addressed until the recent years, when HIS manufacturers started developing modules for CP modeling and workflow support. The objective of this thesis is to provide a holistic methodical support for the description of clinical pathways and their integration into a hospital information system to finally improve the compliance of daily care to standard process definitions. Therefore, conceptual models provide an adequate mean to describe and communicate complex matters in a comprehensible form as well as to configure IT systems due to their semi-formal nature. Hence, a first research thread investigates the question, how clinical pathways can be described adequately using conceptual models. This results in an iterative design of adequate modeling languages for clinical pathways. A second research thread further investigates the question, how conceptual models of clinical pathways can be used to configure process-oriented application systems in health care. This thread therefore describes the design of a model-based method, that enables a consecutive transformation of CPs into technical (workflow) specifications, based on the principles of the Model-Driven Architecture.

The presentation shows sample paths of stochastic processes in form of animations. Those stochastic procsses are usually used to model financial quantities like exchange rates, interest rates and stock prices. In the second part the solution of the Black-Scholes PDE using the finite difference method is illustrated. / Der Vortrag zeigt Animationen von Realisierungen stochstischer Prozesse, die zur Modellierung von Groessen im Finanzbereich haeufig verwendet werden (z.B. Wechselkurse, Zinskurse, Aktienkurse). Im zweiten Teil wird die Loesung der Black-Scholes Partiellen Differentialgleichung mittels Finitem Differenzenverfahren graphisch veranschaulicht.

The efficient parallel execution of scientific applications is a key challenge in high-performance computing (HPC). With growing parallelism and heterogeneity of compute resources as well as increasingly complex software, performance analysis has become an indispensable tool in the development and optimization of parallel programs. This thesis presents a framework for systematic performance analysis of scalable, heterogeneous applications. Based on event traces, it automatically detects the critical path and inefficiencies that result in waiting or idle time, e.g. due to load imbalances between parallel execution streams. As a prerequisite for the analysis of heterogeneous programs, this thesis specifies inefficiency patterns for computation offloading. Furthermore, an essential contribution was made to the development of tool interfaces for OpenACC and OpenMP, which enable a portable data acquisition and a subsequent analysis for programs with offload directives. At present, these interfaces are already part of the latest OpenACC and OpenMP API specification. The aforementioned work, existing preliminary work, and established analysis methods are combined into a generic analysis process, which can be applied across programming models. Based on the detection of wait or idle states, which can propagate over several levels of parallelism, the analysis identifies wasted computing resources and their root cause as well as the critical-path share for each program region. Thus, it determines the influence of program regions on the load balancing between execution streams and the program runtime. The analysis results include a summary of the detected inefficiency patterns and a program trace, enhanced with information about wait states, their cause, and the critical path. In addition, a ranking, based on the amount of waiting time a program region caused on the critical path, highlights program regions that are relevant for program optimization. The scalability of the proposed performance analysis and its implementation is demonstrated using High-Performance Linpack (HPL), while the analysis results are validated with synthetic programs. A scientific application that uses MPI, OpenMP, and CUDA simultaneously is investigated in order to show the applicability of the analysis.

Against the background of increasing multidisciplinarity as well as the focus on quality, transparency and economic efficiency of medical services, clinical pathways (CPs) have been established as a promising tool at the organizational level in recent years. They are primarily intended to ensure an adequate description of the care processes and to manage the balance between best treatment practice and economic viability. CPs standardize the internal care services by explicating the institution-specific knowledge with regard to recommendations for action, service portfolio, organizational structures, infrastructure, etc. of a specific service provider. The development of hospital information systems (HIS) has so far been characterized by an evolutionary development of modules in the field of laboratory, radiology, nursing and picture archiving systems as well as in the area of administrative systems. As one result of this development, the HIS usually comprises a heterogeneous network of software systems of different types and manufacturers. However, the actual control of patients by means of evidence-based processes and integration of CPs into HIS was not addressed until the recent years, when HIS manufacturers started developing modules for CP modeling and workflow support. The objective of this thesis is to provide a holistic methodical support for the description of clinical pathways and their integration into a hospital information system to finally improve the compliance of daily care to standard process definitions. Therefore, conceptual models provide an adequate mean to describe and communicate complex matters in a comprehensible form as well as to configure IT systems due to their semi-formal nature. Hence, a first research thread investigates the question, how clinical pathways can be described adequately using conceptual models. This results in an iterative design of adequate modeling languages for clinical pathways. A second research thread further investigates the question, how conceptual models of clinical pathways can be used to configure process-oriented application systems in health care. This thread therefore describes the design of a model-based method, that enables a consecutive transformation of CPs into technical (workflow) specifications, based on the principles of the Model-Driven Architecture.:A. Synopsis of the Doctoral Dissertation B. Agility in Medical Treatment Processes C. Domain Specific Modeling Language - CPmod D. BPMN4CP - Version 1.0 E. BPMN4CP - Version 2.0 F. BPMN4CP - Version 2.1 G. MDA in Health Care IS Development H. Transforming Clinical Pathways into Care Workflows I. CDA Templates - Utilizing the MediCUBE

In Deutschland und den USA engagiert sich die unternehmerische Philanthropie zunehmend in der Allgemeinbildung, während der letzten Dekade vor allem in den „MINT“ und den „STEM“ Fächern. Hierzu gibt es bisher kaum systematische Studien. Diese vergleichende Arbeit untersucht, warum und wie sich Unternehmen in diesen Bereichen engagieren, und wie sich ihre Rolle in der Bildung verändert. Die Studie beruht auf einer historischen Analyse der Rolle von Unternehmen in der Bildung seit 1945 und auf Interviews mit Experten aus dem MINT- und STEM-Bereich. Die wichtigsten Befunde der Studie sind: (1) Zuvor überwiegend in der dualen Bildung aktiv, begannen deutsche Unternehmen in den frühen 2000er Jahren u.a. als Reaktion auf den PISA-Schock, sich philanthropisch in der allgemeinen Schulbildung zu engagieren. (2) Unternehmerische Philanthropie führten die MINT und STEM Bildungsbewegung an. Aufgrund ihrer etablierten, gut vernetzten und vielfach finanzkräftigeren Stiftungen gelang es US-amerikanischen Unternehmen besser als deutschen, das Thema ins öffentliche Bewusstsein zu rücken, Ressourcen zu erschließen und Änderungen in der Bildungspolitik zu erwirken. (3) Unternehmen und deren Stiftungen wurden in erster Linie durch Entwicklungen auf dem Arbeitsmarkt, langfristige ökonomische Überlegungen und die Notwendigkeit zur Innovation motiviert, sich zu engagieren; aufgrund unterschiedlicher demographischer Aspekte und Entwicklungen in der Bildung fanden sich Unterschiede zwischen den beiden Ländern. (4) In Deutschland und den USA agiert die unternehmerische Philanthropie zunehmend strategisch, d.h. sie handelt ergebnisorientiert und achtet auf Skalierbarkeit ihrer Aktivitäten. Dies hat das Engagement von Unternehmen in der Bildungspolitik verstärkt und die Anforderung der Wirtschaft in den Fokus gerückt. Manche US-amerikanische Unternehmen haben begonnen, Berufsbildungswege zu schaffen, was bisher nicht die Regel war. / Corporate philanthropy is active in K-12 education in Germany and the U.S. but there is minimal research about it. Over the last decade corporate philanthropic actors in both countries have become active in STEM* education (in Germany, MINT). This comparative study is about why and how they decided to invest in these initiatives and how that is tied to their traditional roles in education. It leans on the history of company involvement in education since 1945 and on interviews with experts active in the STEM and MINT education scenes. The main findings are: (1) As a result of the PISA shock and other factors, German companies that traditionally engaged only in vocational education have become active in general K-12 education. (2) Corporate philanthropy led the STEM and MINT education movements. However, U.S. companies and their foundations, with decades of philanthropic experiences and networks in education, were more successful in raising awareness, organizing resources, and achieving policy changes at the federal level. (3) Companies and their foundations were driven to invest in STEM and MINT education largely by workforce, long-term innovation, and economic concerns but there were key differences because of the differing demographic and education trends in the two countries. (4) In the U.S. and Germany, corporate philanthropy is attempting to be more strategic. This has resulted in a focus on outcome-based measurements and scalability but has also led to more investments in nonprofit and policy organizations instead of schools or their booster clubs. It has also resulted in corporate philanthropy better aligning with company competencies and needs, which made STEM and MINT ideal. In the case of the U.S., this has also resulted in some companies creating vocational programs, an area of education most companies avoided in the past. *STEM= Science, Technology, Engineering, and Math MINT= Mathematik, Informatik, Naturwissenschaften und Technik

Epitaxial growth is an important technique for the fabrication of film structures with good crystalline quality, e.g., monoatomic overlayers, multilayers, compound materials, and ordered alloys. Such epitaxially grown films are technologically important materials with, e.g., adjustable electronic, magnetic, and optical properties. In case of coherent or pseudomorphic epitaxy, the overlayer adapts the in-plane lattice parameters of the substrate, i.e., the overlayer is strained to match the lattice parameters parallel to the substrate surface (in-plane directions). Simultaneously, a relaxation of the film dimension perpendicular to the substrate-film interface occurs (out-of-plane direction). Thus, coherent epitaxy provides a method to put phases under strain, and it can stabilise a metastable state of the film material, if the substrate lattice matches this metastable structure. Bulk-like properties in thick overlayers, which adopt the body-centred tetragonal (BCT) crystal structure and which grow coherently on a suitable substrate with quadratic surface symmetry, are modelled by the epitaxial Bain path (EBP) in this thesis. The knowledge of the EBP allows to study properties of the overlayer as function of the substrate lattice parameter. In particular, strain effects on the film material, magnetic order in the overlayer, and the existence of possible metastable states are investigated by means of density functional theory (DFT) in the local spin density approximation (LSDA), and in the singular case of uranium, employing the generalised gradient approximation (GGA). Note that a symmetry property of the BCT structure states, that it is identical to the body-centred cubic (BCC) structure or the face-centred cubic (FCC) structure for definite ratios of the tetragonal lattice parameters. Our definition of the EBP has two, previously not considered consequences for EBPs in general: an EBP can be discontinuous, and the high symmetry cubic structures (FCC and BCC) need not be points on the EBP. Both cases occurred for several elements considered in this thesis. If, however, a cubic structure is a point on the EBP, then a symmetry property guarantees that the total energy along the EBP, E(a), is stationary at this cubic structure. We computed the EBPs of all transition metals (TMs), the post TMs Zn, Cd, and Hg, the alkaline earth metals Ca, Sr, and Ba, the lanthanides La and Lu, and the actinide U (35 elements were treated in total). For each element but Zr, Hg, and U, there are exactly two structures whose energies are minima on the EBP, and which exhibit neither in-plane nor out-of-plane stresses; for Zr, Hg, and U there are three minima each. All other states on the EBP exhibit in-plane stresses because they are a strained form of the stress-free structures. The possibility of metastability of these particular, stress-free structures, i.e., stabilisation of these structures without bonding to the substrate, was investigated by stability conditions based on linear elasticity theory (except for U). We predict that ten FCC structures and three BCT structures not known from the respective phase diagrams may be metastable. We studied the properties of ferromagnetic (FM) states on the EBP for the elements Fe, Co, and Ni, and moreover predict, that Mn, Ru, Os, and U order ferromagnetically for certain states of the EBP. The latter three elements are paramagnetic in their ground states. The onset of ferromagnetism in Os and U is not accompanied by a simultaneously fulfilled Stoner criterion. According to our results, antiferromagnetic order (with moment sequences up-down or up-up-down-down on successive (001) planes) is never more stable than FM order on any EBP for any element investigated. On the basis of our comprehensive results for all TMs, we analysed trends across each of the three TM series and similarities among the three series. We demonstrate, that the type of the EBP (a classification of extrema of E(a) by symmetry into types) follows a characteristic trend across each of the three TM series. We discuss exceptions (Mn, Fe, and Zr) to this trend. Another trend, identical for the three series, is found for the BCT­-FCC structural energy difference as function of the d-band filling (evaluated for BCT structures that define extrema of E(a)), which follows a similar trend as the well studied BCC­-FCC structural energy difference. Clear similarities among the three periods of elements are also reflected in the bulk moduli and in the elastic constants of the cubic or tetragonal structures, that define the global and local minima of E(a). The mentioned similarities suggest, that many properties which are associated with the EBPs of TMs, can be attributed to the occupation of the d-band, which is the most dominant feature of the electronic structure of TMs.

This paper describes some results of a research study on conjecturing and proving in a dynamic geometry environment (DGE), and it focuses on particular cognitive processes that seem to be induced by certain uses of tools available in Cabri (a particular DGE). Building on the work of Arzarello and Olivero (Arzarello et al., 1998, 2002; Olivero, 2002), we have conceived a model describing some cognitive processes that may occur during the production of conjectures and proofs in a DGE and that seem to be related to the use of specific dragging schemes, in particular to the use of the scheme we refer to as maintaining dragging. This paper contains a description of aspects of the theoretical model we have elaborated for describing such cognitive processes, with specific attention towards the role of the dragging schemes, and an example of how the model can be used to analyze students’ explorations.