Simulation Modeling and Analysis of Coal Shipping Operations

Computer simulations are increasingly powerful and realistic models for complex real-world scenarios, and our project applies this technology to model a coal transportation case study. Given a baseline scenario of fourteen carriers transporting coal from three U.S. locations to four international locations, we optimize operations in terms of product flow, time required for shipments, and total operation costs. Implementing the case study\u27s factors into modular code, we introduce several potential changes to current operations and develop specific scenarios. Further, in analyzing these scenarios we test for robustness and sensitivity, by changing values such as demand and bad weather occurrences, and noting how well the model responds. We ultimately gain a better intuition of the factors at play, identify optimizations, and develop a more efficient configuration. Also, we note several areas of potential improvement and suggest several directions for future work. Finally, taking advantage of modern graphical software, we present the optimized scenario in an animated interface, including a 3D view of the model and real-time data charts. While delving into complex data to reach the desired results, our model is accessible to a broad audience and presents an intriguing glimpse into the future of computational modeling

A simple algorithm for the Kohn-Sham inversion problem applicable to general target densities

A simple algorithm for the Kohn-Sham inversion problem is presented. The method is found to converge toward a nearby v-representable Kohn-Sham density irrespective of the fact whether the initial target density has been v-representable or not. For the proposed procedure, the target density can be of general nature. The algorithm can handle Hartree-Fock and post-Hartree-Fock, spin-unpolarized and polarized states equally well. Additionally, experimental densities and even general gedanken densities can be treated. The algorithm is easy to implement and does not require an additional procedure to adjust eigenvalues

Convolutional Neural Networks in Medical Imaging

Over the past 5 years there has been an increase in the use of convolutional neural networks in a broad variety of medical imaging applications. This is due in part to the increase in their popularity since their success in the 2012 ImageNet competition, but is also due to their adaptability across a range of medical imaging applications. These applications vary greatly; from the segmentation of knee cartilage to the detection of Alzheimer\u27s disease in MRIs and much more. In this paper we will go over some of the cutting edge techniques being used specifically for the tasks of brain segmentation; classifying with both binary segmentation on brain lesions and hierarchical segmentation with tumors. The results are proving to be quite promising with many of the described techniques outscoring previous state-of-the-art systems

The bifunctional formalism - functional design with specified functional derivatives

Die Habilitationsschrift beinhaltet die Vorstellung eines neuen mathematischen Formalismus zur Erstellung approximativer Funktionale in der Dichtefunktionaltheorie. Im Gegensatz zu Dichtefunktionalen hängen Bifunktionale von zwei Variablen ab, nämlich der Dichte und des Potentials, welches als formale Funktionalableitung behandelt wird und somit nicht als Funktional der Dichte bekannt ist. Neben der Vorstellung des mathematischen Formalismus werden zwei Anwendungsgebiete vorgestellt: orbitalfreie Dichtefunktionaltheorie und die Entwicklung neuer Austauschkorrelationsfunktionale für konventionelle Kohn-Sham-Dichtefunktionaltheorie

The influence of the exchange-correlation functional on the non-interacting kinetic energy and its implications for orbital-free density functional approximations

In this work it is shown that the kinetic energy and the exchange-correlation energy are mutual dependent on each other. This aspect is first derived in an orbital-free context. It is shown that the total Fermi potential depends on the density only, the individual parts, the Pauli kinetic energy and the exchange-correlation energy, however, are orbital dependent and as such mutually influence each other. The numerical investigation is performed for the orbital-based non-interacting Kohn-Sham system in order to avoid additional effects due to further approximations of the kinetic energy. The numerical influence of the exchange-correlation functional on the non-interacting kinetic energy is shown to be of the order of a few Hartrees. For chemical purposes, however, the energetic performance as a function of the nuclear coordinates is much more important than total energies. Therefore, the effect on the bond dissociation curve was studied exemplarily for the carbon monoxide. The data reveals that, the mutual influence between the exchange-correlation functional and the kinetic energy has a significant influence on bond dissociation energies and bond distances. Therefore, the effect of the exchange-correlation treatment must be considered in the design of orbital-free density functional approximations for the kinetic energy

Enhancing Interest in STEM at NW Indiana Middle and High Schools through Balloon Launches and Tracking

Our vision with this project is to develop and implement a research project led by undergraduates from Valparaiso University (VU) that would involve the participation of local middle and high school students in innovative balloon payloads . Under the guidance of Dr. Gary Morris, two VU undergraduate students will develop their designs, then present and test their system at local schools to help instill excitement about STEM in curious young minds. All students (college, middle, and high school) gain knowledge, experience, and confidence in STEM-related areas. The primary goal of this project is to provide competency-building education and research opportunities that develop qualified undergraduate and graduate students who are prepared for employment in STEM disciplines at NASA, in industry, and in higher education. Assessments will be administered to participants in balloon workshops to determine their interest in STEM careers both prior to and following each event. This data will be analyzed by the participating VU students and presented in a final report

An Efficient Contracting Approach to Rural Electric Cooperatives and the Development of Upper Midwest (U.S.) Wind Resources

Many factors support the likelihood of major wind power deployment in the Upper Midwest of the U.S. over the next two decades. This paper specifically considers the dilemma faced by the existing rural electric co-ops (RECs), to whom wind development poses simultaneously a threat and an opportunity. We argue that the threat can be ameliorated through more appropriate tariff strategies, and that there is an efficient-contracting rationale for RECs to take the lead in future development of the wind resource

Ionenstrahlgestützte Molekularstrahlepitaxie von Galliumnitrid-Schichten auf Silizium

Die vorliegende Arbeit befasst sich mit dem Einfluss einer hyperthermischen Stickstoffionenbestrahlung (Ekin < 25 eV) auf das Galliumnitrid-Schichtwachstum. Dabei wird insbesondere der Einfluss einer Oberflächenrekonstruktion, einer Strukturierung der Oberfläche, einer Zwischenschicht (Pufferschicht) und der Einfluss verschiedener Siliziumsubstratorientierungen auf das epitaktische Wachstum von dünnen Galliumnitrid-Schichten nach einer hyperthermischen Stickstoffionenbestrahlung diskutiert. Ziel war es, möglichst dünne, epitaktische und defektarme Galliumnitrid-Schichten zu erhalten. Für die Charakterisierung der Galliumnitrid-Schichten und der Siliziumsubstrate standen diverse Analysemethoden zur Verfügung. Die kristalline Oberflächenstruktur konnte während des Wachstums mittels Reflexionsbeugung hochenergetischer Elektronen beobachtet werden. Nachfolgend wurde die Oberflächentopografie, die kristalline Struktur und Textur, sowie die optischen Eigenschaften der Galliumnitrid-Schichten mittels Rasterkraftmikroskopie, Röntgenstrahl-Diffraktometrie, hochauflösender Transmissionselektronenmikroskopie und Photolumineszenzspektroskopie untersucht