Combinatorics

Combinatorics is a fundamental mathematical discipline which focuses on the study of discrete objects and their properties. The current workshop brought together researchers from diverse fields such as Extremal and Probabilistic Combinatorics, Discrete Geometry, Graph theory, Combiantorial Optimization and Algebraic Combinatorics for a fruitful interaction. New results, methods and developments and future challenges were discussed. This is a report on the meeting containing abstracts of the presentations and a summary of the problem session

Development of Multivariate Powder X-ray Diffraction Techniques and Total Scattering Analyses to Enable Informatic Calibration of Solid Dispersion Potential

The objective of this work was to introduce a novel method for predicting solid dispersion potential enabled by the ability to differentiate phase-separated co-solidified products from amorphous molecular solid dispersions. The central hypothesis states that a combination of materials properties exists that defines the propensity of an active pharmaceutical ingredient to form a binary amorphous molecular solid dispersion with polyvinylpyrrolidone:vinyl acetate copolymer using a melt-quench procedure. Testing this hypothesis required execution of specific aims directed to address issues inherent to characterizing amorphous materials. The work herein is presented with respect to two separate subjects: (1) analytical development and (2) theoretical applications. In the first few chapters, advanced powder X-ray diffraction data processing techniques are explored and adapted to composite pharmaceutical systems. Specific emphasis will be placed ontotal scattering data manipulations and their benefits over traditional practices. The concluding part of this work is devoted to illustrating the use of materials informatics in modeling solid dispersion potential, ultimately afforded by implementing the materials characterization methodologies developed in the initial stages. Molecular descriptors, commonly employed in quantitative structure-property relationship assessment, were tested for correlation to dispersion potential across a library of small molecule organic compounds. The final model accurately predicted dispersion potential for all 12 calibration compounds and three test compounds

Advanced Image Acquisition, Processing Techniques and Applications

"Advanced Image Acquisition, Processing Techniques and Applications" is the first book of a series that provides image processing principles and practical software implementation on a broad range of applications. The book integrates material from leading researchers on Applied Digital Image Acquisition and Processing. An important feature of the book is its emphasis on software tools and scientific computing in order to enhance results and arrive at problem solution

Exchange Bias in Nanostructures

This study was concerned with two issues facing the technological application of exchange bias. The first is the ferromagnet (F)/antiferromagnet (AF) interface which was investigated via the effect of the IrMn (111) in-plane texture on the magnetisation reversal of IrMn/CoFe samples. The second is the change in the magnitude of the exchange bias (Hex) and the median blocking temperature (Tbmed)with element size in sub-500nm nanostructures. The evolution of the magnetisation reversal over the annealing/field cooling process in CoFe and CoFe/IrMn thin films was measured for samples deposited on Cu and NiCr seed layers. The samples deposited on the Cu seed layer were found to be polycrystalline but randomly oriented whilst those on a NiCr seed layer had a strong (111) in-plane texture. The training effect is the change in the first point to reversal (Hc1) between the first and second hysteresis loops measured after field cooling. This was found to vary drastically with texture where deltaHc1 was found to be (10+/-2.5)Oe and (60+/-2.5)Oe for the samples deposited on the NiCr and Cu seed layers respectively.This was hypothesised to be due to a distribution of orientation of the easy axis of the interfacial spin clusters. In the case of the sample deposited on the Cu seed layer there is a 3-D random distribution of easy axis orientations similar to that of Stoner-Wohlfarth entities whereas for the sample grown on the NiCr seed layer there is a 2-D random distribution of easy axis. It is the tensioning of the cluster-cluster interactions with the easy axis orientation that is thought to give rise to the training effect and other phenomena in exchange bias. The change in Hex and Tbmed with element size was measured in 4x4mm arrays of nanodots patterned through e-beam lithography and fabricated using the lift-off method. Following an initial decrease of 66% due to the patterning process, Hex decreased from (105+/-5)Oe to (40+/-5)Oe with element size from 425 to 80nm. However whilst an initial decrease in Tbmed from (448+/-5)K to ~405K occured due to the patterning process no significant change is seen with element size. This implies that the change in Hex is due to a modification of the interface i.e. non-planar deposition as a result of depositing the film through a mask

Fracture mechanics life analytical methods verification testing

The objective was to evaluate NASCRAC (trademark) version 2.0, a second generation fracture analysis code, for verification and validity. NASCRAC was evaluated using a combination of comparisons to the literature, closed-form solutions, numerical analyses, and tests. Several limitations and minor errors were detected. Additionally, a number of major flaws were discovered. These major flaws were generally due to application of a specific method or theory, not due to programming logic. Results are presented for the following program capabilities: K versus a, J versus a, crack opening area, life calculation due to fatigue crack growth, tolerable crack size, proof test logic, tearing instability, creep crack growth, crack transitioning, crack retardation due to overloads, and elastic-plastic stress redistribution. It is concluded that the code is an acceptable fracture tool for K solutions of simplified geometries, for a limited number of J and crack opening area solutions, and for fatigue crack propagation with the Paris equation and constant amplitude loads when the Paris equation is applicable

Micro-tubular Solid Oxide Fuel Cells with Nickelate Cathode-support

The shortage of natural resources, rising energy demands and global warming have created an urgent need for more efficient energy conversion devices and different energy resources to achieve a more sustainable and efficient economy. Solid Oxide Fuel Cells (SOFC) are one of the most promising devices for the direct conversion from chemical to electrical energy in conjunction with high system efficiencies. Micro-tubular SOFC have been investigated since roughly 15 years. In contrast to planar systems, which produce electricity in the kW to MW range and target utilisation in stationary applications such as CHP plants, micro-tubular SOFC systems can be envisaged for mobile application due to quick start-up/shutdown operation. While most micro-tubular cells are mechanically supported by the electrolyte or anode, only few researches have investigated cathode-supported cells due to challenging fabrication. In this work, the new cathode material neodymium nickelate (NNO), Nd1.95NiO4+δ, was used as mechanical support, which is a novelty of this work, for micro-tubular SOFC. Different fabrication routes were used to create small tubes of 2-6 mm diameter. These tubes were evaluated with respect to their gas-diffusion properties by a new, self-manufactured diffusion setup and a complementary permeation setup. In order to achieve an economical fabrication process, the low-cost dip-coating method was investigated for the deposition of thin films from wet-chemical suspensions to create entire SOFC single cells. As SOFCs require gas-tight electrolyte layers, cofiring of tubular substrates and thin films must be executed to allow sufficient shrinkage of the deposited electrolyte thin layers to full density. Various electrolyte and electrode powders were characterised in different solvents, dispersants and binders with respect to low-temperature sintering feasibility. The shrinkage of scandia-stabilised zirconia (ScSZ) powder was decreased to 18% to still deliver sufficient sintered density by optimisation of the green density (usually zirconia requires shrinkage of 25% and more for densification). The cofiring temperature depends on the densification behaviour of powders but also on reactivity between adjacent layers. The reactivity between gadolinia-doped ceria (GDC)-interlayers and different zirconia materials was tested and showed lower compatibility of yttria-stabilised zirconia (YSZ) with GDC than for ScSZ/GDC reaction couples, which has not been reported so far. The interface of NNO cathodes and GDC interlayers was analysed by reactivity mapping and quantitative phase analysis. The performance optimisation of NNO/GDC interfaces by exchange current density measurement of NNO-cathodes sintered at different temperatures on GDC pellets is a further contribution of this work. The reactivity and performance investigations provide clear guidelines for maximum allowable cosintering temperature. Some electrochemical single cell tests showed competitive area-specific resistances (ASR) of ca. 1 Ωcm2 but were limited unfortunately by the counterelectrode microstructure and current collection methods, which were not the focus of this work. Open-circuit voltages (OCV) were 0.6-1.1 V at 700 °C in dry hydrogen atmosphere for tubes prepared by extrusion but only 0.3 V for tubes prepared by slip-casting. The electrochemical performances were modest with only 0.035 W/cm2 power density at 700 °C for tubes prepared by extrusion due to the elevated resistances of the counterelectrode and current collection

Battery storage systems as balancing option in intermittent renewable energy systems - A transdisciplinary approach under the frame of Constructive Technology Assessment

Different battery storage technologies are considered as important flexibility option in the face of increasing shares of renewables in the grid. A challenge is to support decision-making by providing a broader perspective on battery technology development, choice, and implementation. The tailored approach in the frame of Constructive Technology Assessment (CTA) in combination with system analysis allows it to explore actor visions and expectations about battery storage and to use this information to provide quantitative information about the consequences of these. Research results combine the perspectives of technology and non-technology related actors (enactors and selectors) to create new and broader knowledge to provide “better” technology. Major implications identified for battery storage are missing business models, uncertain regulations, and doubts about their techno-economic viability. A highlight is a proof that expectations about technology characteristics in orientation to sustainability criteria are settled within concentric perspectives by using the Analytic-Hierarchy-Process (AHP). Enactors focus on economic and technological criteria which reflect the concentric bias of this group. In contrast, selectors perceive environmental and social criteria as more important. The consensus among actors regarding criteria importance is not existent to moderate which indicates that more research is required here. System analysis is used to quantify actor preferences obtained through the AHP. Li-Ion-batteries (LIB), lead-acid-batteries (VRLA), high-temperature-batteries (NaNiCl and NaS), and Vanadium-redox-flowbatteries (VRFB) are evaluated through e.g. life cycle assessment and costing for four different application fields (decentralized storage, wind energy support, primary regulation and energy-time-shift (ETS-includes compressed-air-energy-storage (CAES) and pumped-hydro-storage (PHS)). Preliminary rankings indicate that most LIBs can be recommended for all application areas, wherein decentralized storage is considered to offer the highest potentials for battery storage. VRLA and NaS achieve rather low scores whereas ranking of VRFB is highly dependent on the considered use case. PHS and CAES dominate all assessed energy storage technologies in the ETS application case