On the effects of turbulence modelling in design optimisation for high-lift devices

Aerodynamic shape optimisation is being increasingly utilised as a design tool in the aerospace industry. In order to provide accurate results, design optimisation methods rely on the accuracy of the underlying CFD methods applied to obtain aerodynamic forces for a given configuration. Previous studies of the authors have highlighted that the variation of the order of accuracy of the CFD solver with a fixed turbulence model affects the resulting optimised airfoil shape for a single element airfoil. The accuracy of the underlying CFD model is even more relevant in the context of high-lift configurations where an accurate prediction of flow is challenging due to the complex flow physics involving transition and flow separation phenomena. This paper explores the effect of the fidelity of CFD results for a range of turbulence models within the context of the computational design of aircraft configurations. The NLR7301 multi-element airfoil (main wing and flap) is selected as the baseline configuration, because of the wealth of experimental an computational results available for this configuration. An initial validation study is conducted in order to establish optimal mesh parameters. A bi-objective shape optimisation problem is then formulated, by trying to reveal the trade-off between lift and drag coefficients at high angles of attack. Optimisation of the airfoil shape is performed with Spalart-Allmaras, k - ω SST and k - ε realisable models. The results indicate that there is consistent and complementary impact to the optimum level achieved from all the three different turbulence models considered in the presented case study. Without identifying particular superiority of any of the turbu- lence models, we can say though that each of them expressed favourable influence towards different optimality routes. These observations lead to the exploration of new avenues for future research. © 2012 by the authors.

Design and market considerations for axial flux superconducting electric machine design

In this paper, the authors investigate a number of design and market considerations for an axial flux superconducting electric machine design that uses high temperature superconductors. The axial flux machine design is assumed to utilise high temperature superconductors in both wire (stator winding) and bulk (rotor field) forms, to operate over a temperature range of 65-77 K, and to have a power output in the range from 10s of kW up to 1 MW (typical for axial flux machines), with approximately 2-3 T as the peak trapped field in the bulk superconductors. The authors firstly investigate the applicability of this type of machine as a generator in small- and medium-sized wind turbines, including the current and forecasted market and pricing for conventional turbines. Next, a study is also carried out on the machine's applicability as an in-wheel hub motor for electric vehicles. Some recommendations for future applications are made based on the outcome of these two studies. Finally, the cost of YBCO-based superconducting (2G HTS) wire is analysed with respect to competing wire technologies and compared with current conventional material costs and current wire costs for both 1G and 2G HTS are still too great to be economically feasible for such superconducting devices.

An Evaluation of Four Phylogenetic Markers in Nostoc: Implications for Cyanobacterial Phylogenetic Studies at the Intrageneric Level

The success of some phylogenetic markers in cyanobacteria owes to the design of cyanobacteria-specific primers, but a few studies have directly investigated the evolution "behavior" of the loci. In this study, we performed a case study in Nostoc to evaluate rpoC1, hetR, rbcLX, and 16S rRNA-tRNA(Ile)-tRNA(Ala)-23S rRNA internal transcribed spacer (ITS) as phylogenetic markers. The results indicated that the gene trees of these loci are not congruent with the phylogeny based on 16S rRNA gene. The mechanisms contributing to the incongruence include randomized variation and recombination. As the results suggested, one should be careful to choose the molecular markers for phylogenetic reconstruction at the intrageneric level in cyanobacteria.

Comparison of moment-curvature models for fiber-reinforced polymer plate-end debonding studies using global energy balance approach

This paper compares a number of different moment-curvature models for cracked concrete sections that contain both steel and external fiber-reinforced polymer (FRP) reinforcement. The question of whether to use a whole-section analysis or one that considers the FRP separately is discussed. Five existing and three new models are compared with test data for moment-curvature or load deflection behavior, and five models are compared with test results for plate-end debonding using a global energy balance approach (GEBA). A proposal is made for the use of one of the simplified models. The availability of a simplified model opens the way to the production of design aids so that the GEBA can be made available to practicing engineers through design guides and parametric studies. Copyright © 2014, American Concrete Institute.

Polarization-Insensitive Silica on Silicon Arrayed Waveguide Grating Design

A new technology for fabrication of silica on silicon arrayed waveguide grating (AWG) based on deep etching and thermal oxidation is presented.Using this method,a silicon layer is remained at the side of waveguide.The stress distribution and effective refractive index of waveguide fabricated by this approach are calculated using finite element and finite difference beam propagation method,respectively.The results of these studies indicate that the stress of silica on silicon optical waveguide can be matched in parallel and vertical direction and AWG polarization dependent wavelength (PDλ) can be reduced effectively due to side-silicon layer.

A three-dimensional metal-organic framework based on a triazine derivative: syntheses, structure analysis, and sorption studies

A novel metal-organic framework [Cu-3(m-TATB)(2)Py(CH3OH)(2)] (1) constructed of a triazine-based trigonal-planar ligand, 3,3',3 ''-s-triazine-2,4,6- triyltribenzoate (m-H(3)TATB), has been synthesized and structurally characterized. Compound 1 features three-dimensional (3D) channels and cavities together, and exhibits high carbon dioxide sorption at normal pressure.

Triplex selective 2-(2-naphthyl)quinoline compounds: Origins of affinity and new design principles

A novel competition dialysis assay was used to investigate the structural selectivity of a series of substituted 2-(2-naphthyl)quinoline compounds designed to target triplex DNA. The interaction of 14 compounds with 13 different nucleic acid sequences and structures was studied. A striking selectivity for the triplex structure poly dA:[poly dT](2) was found for the majority of compounds studied. Quantitative analysis of the competition dialysis binding data using newly developed metrics revealed that these compounds are among the most selective triplex-binding agents synthesized to date. A quantitative structure-affinity relationship (QSAR) was derived using triplex binding data for all 14 compounds used in these studies. The QSAR revealed that the primary favorable determinant of triplex binding free energy is the solvent accessible surface area. Triplex binding affinity is negatively correlated with compound electron affinity and the number of hydrogen bond donors. The QSAR provides guidelines for the design of improved triplex-binding agents.

Design and implementation of robust systems for secure malware detection

Malicious software (malware) have significantly increased in terms of number and effectiveness during the past years. Until 2006, such software were mostly used to disrupt network infrastructures or to show coders’ skills. Nowadays, malware constitute a very important source of economical profit, and are very difficult to detect. Thousands of novel variants are released every day, and modern obfuscation techniques are used to ensure that signature-based anti-malware systems are not able to detect such threats. This tendency has also appeared on mobile devices, with Android being the most targeted platform. To counteract this phenomenon, a lot of approaches have been developed by the scientific community that attempt to increase the resilience of anti-malware systems. Most of these approaches rely on machine learning, and have become very popular also in commercial applications. However, attackers are now knowledgeable about these systems, and have started preparing their countermeasures. This has lead to an arms race between attackers and developers. Novel systems are progressively built to tackle the attacks that get more and more sophisticated. For this reason, a necessity grows for the developers to anticipate the attackers’ moves. This means that defense systems should be built proactively, i.e., by introducing some security design principles in their development. The main goal of this work is showing that such proactive approach can be employed on a number of case studies. To do so, I adopted a global methodology that can be divided in two steps. First, understanding what are the vulnerabilities of current state-of-the-art systems (this anticipates the attacker’s moves). Then, developing novel systems that are robust to these attacks, or suggesting research guidelines with which current systems can be improved. This work presents two main case studies, concerning the detection of PDF and Android malware. The idea is showing that a proactive approach can be applied both on the X86 and mobile world. The contributions provided on this two case studies are multifolded. With respect to PDF files, I first develop novel attacks that can empirically and optimally evade current state-of-the-art detectors. Then, I propose possible solutions with which it is possible to increase the robustness of such detectors against known and novel attacks. With respect to the Android case study, I first show how current signature-based tools and academically developed systems are weak against empirical obfuscation attacks, which can be easily employed without particular knowledge of the targeted systems. Then, I examine a possible strategy to build a machine learning detector that is robust against both empirical obfuscation and optimal attacks. Finally, I will show how proactive approaches can be also employed to develop systems that are not aimed at detecting malware, such as mobile fingerprinting systems. In particular, I propose a methodology to build a powerful mobile fingerprinting system, and examine possible attacks with which users might be able to evade it, thus preserving their privacy. To provide the aforementioned contributions, I co-developed (with the cooperation of the researchers at PRALab and Ruhr-Universität Bochum) various systems: a library to perform optimal attacks against machine learning systems (AdversariaLib), a framework for automatically obfuscating Android applications, a system to the robust detection of Javascript malware inside PDF files (LuxOR), a robust machine learning system to the detection of Android malware, and a system to fingerprint mobile devices. I also contributed to develop Android PRAGuard, a dataset containing a lot of empirical obfuscation attacks against the Android platform. Finally, I entirely developed Slayer NEO, an evolution of a previous system to the detection of PDF malware. The results attained by using the aforementioned tools show that it is possible to proactively build systems that predict possible evasion attacks. This suggests that a proactive approach is crucial to build systems that provide concrete security against general and evasion attacks.

Design thinking - a critical analysis.

The latest buzz phrase to enter the world of design research is “Design Thinking”. But is this anything new and does it really have any practical or theoretical relevance to the design world? Many sceptics believe the term has more to do with business strategy and little to do with the complex process of designing products, services and systems. Moreover, many view the term as misleading and a cheap attempt to piggyback the world of business management onto design. This paper seeks to ask is design thinking anything new? Several authors have explicitly or implicitly articulated the term “Design Thinking” before, such as Peter Rowe’s seminal book “Design Thinking” [1] first published in 1987 and Herbert Simon’s “The Sciences of the Artificial” [2] first published in 1969. In Tim Brown’s “Change by Design” [3], design thinking is thought of as a system of three overlapping spaces rather than a sequence of orderly steps namely inspiration – the problem or opportunity that motivates the search for solutions; ideation – the process of generating, developing and testing ideas; and implementation – the path that leads from the design studio, lab and factory to the market. This paper seeks to examine and critically analyse the tenets of this new design thinking manifesto set against three case studies of modern design practice. As such, the paper will compare design thinking theory with the reality of design in practice.

Design, synthesis and development of novel indolocarbazole derivatives as potential anti-cancer agents

This thesis describes work carried out on the design of new routes to a range of bisindolylmaleimide and indolo[2,3-a]carbazole analogs, and investigation of their potential as successful anti-cancer agents. Following initial investigation of classical routes to indolo[2,3-a]pyrrolo[3,4-c]carbazole aglycons, a new strategy employing base-mediated condensation of thiourea and guanidine with a bisindolyl β-ketoester intermediate afforded novel 5,6-bisindolylpyrimidin-4(3H)-ones in moderate yields. Chemical diversity within this H-bonding scaffold was then studied by substitution with a panel of biologically relevant electrophiles, and by reductive desulfurisation. Optimisation of difficult heterogeneous literature conditions for oxidative desulfurisation of thiouracils was also accomplished, enabling a mild route to a novel 5,6-bisindolyluracil pharmacophore to be developed within this work. The oxidative cyclisation of selected acyclic bisindolyl systems to form a new planar class of indolo[2,3-a]pyrimido[5,4-c]carbazoles was also investigated. Successful conditions for this transformation, as well as the limitations currently prevailing for this approach are discussed. Synthesis of 3,4-bisindolyl-5-aminopyrazole as a potential isostere of bisindolylmaleimide agents was encountered, along with a comprehensive derivatisation study, in order to probe the chemical space for potential protein backbone H-bonding interactions. Synthesis of a related 3,4-arylindolyl-5-aminopyrazole series was also undertaken, based on identification of potent kinase inhibition within a closely related heterocyclic template. Following synthesis of approximately 50 novel compounds with a diversity of H-bonding enzyme-interacting potential within these classes, biological studies confirmed that significant topo II inhibition was present for 9 lead compounds, in previously unseen pyrazolo[1,5-a]pyrimidine, indolo[2,3-c]carbazole and branched S,N-disubstituted thiouracil derivative series. NCI-60 cancer cell line growth inhibition data for 6 representative compounds also revealed interesting selectivity differences between each compound class, while a new pyrimido[5,4-c]carbazole agent strongly inhibited cancer cell division at 10 µM, with appreciable cytotoxic activity observed across several tumour types.

Grid integration of wave energy & generic modelling of ocean devices for power system studies

The work presented in this thesis covers four major topics of research related to the grid integration of wave energy. More specifically, the grid impact of a wave farm on the power quality of its local network is investigated. Two estimation methods were developed regarding the flicker level Pst generated by a wave farm in relation to its rated power as well as in relation to the impedance angle ψk of the node in the grid to which it is connected. The electrical design of a typical wave farm design is also studied in terms of minimum rating for three types of costly pieces of equipment, namely the VAr compensator, the submarine cables and the overhead line. The power losses dissipated within the farm's electrical network are also evaluated. The feasibility of transforming a test site into a commercial site of greater rated power is investigated from the perspective of power quality and of cables and overhead line thermal loading. Finally, the generic modelling of ocean devices, referring here to both wave and tidal current devices, is investigated.

Synthesis of iminophosphine and phosphinoiminol cyclometallated Pt (II) and Pt (IV) chloro complexes and studies into their biological and photophysical properties

This thesis focuses on the synthesis and analysis of novel chloride based platinum complexes derived from iminophosphine and phosphinoamide ligands, along with studies on their reactivity towards substitution and oxidation reactions. Also explored here are the potential applications of these complexes for biological and luminescent purposes. Chapter one provides an extensive overview of platinum coordination chemistry with examples of various mixed donor ligands along with the history of platinum anticancer therapy. It also looks at metals in medicine, both for biological functions as well as for therapeutic purposes and gives a background to some other applications for platinum complexes. Chapter two outlines the design and synthetic strategies employed for the development of novel platinum (II) chloride complexes from iminophosphine and phosphinoamide ligands. Also reported is the cyclometallation of these complexes to form stable tridentate mixed donor platinum (II) compounds. In Chapter three the development of a direct method for displacing a chloride from a platinum metal centre with a desired phosphine is reported. Numerous methods for successful oxidation of the platinum (II) complexes will also be explored, leading to novel platinum (IV) complexes being reported here also. The importance of stabilisation of the displaced anion, chloride, by the solvent system will also be discussed in this chapter. Chapter four investigates the reactivity of the platinum (II) complexes towards two different biomolecules to form novel platinum bio-adducts. The potential application of the platinum (II) cyclometallates as chemotherapeutics will also be explored here using in-vitro cancer cell testing. Finally, luminescence studies are also reported here for the ligands and platinum complexes reported in chapter two and three to investigate potential applications in this field also. Chapter five provides a final conclusion and an overall summary of the entire project as well as identifying key areas for future work.

Usability-enhanced coordination design of geovisualisations to communicate coastal flood risk information

For at least two millennia and probably much longer, the traditional vehicle for communicating geographical information to end-users has been the map. With the advent of computers, the means of both producing and consuming maps have radically been transformed, while the inherent nature of the information product has also expanded and diversified rapidly. This has given rise in recent years to the new concept of geovisualisation (GVIS), which draws on the skills of the traditional cartographer, but extends them into three spatial dimensions and may also add temporality, photorealistic representations and/or interactivity. Demand for GVIS technologies and their applications has increased significantly in recent years, driven by the need to study complex geographical events and in particular their associated consequences and to communicate the results of these studies to a diversity of audiences and stakeholder groups. GVIS has data integration, multi-dimensional spatial display advanced modelling techniques, dynamic design and development environments and field-specific application needs. To meet with these needs, GVIS tools should be both powerful and inherently usable, in order to facilitate their role in helping interpret and communicate geographic problems. However no framework currently exists for ensuring this usability. The research presented here seeks to fill this gap, by addressing the challenges of incorporating user requirements in GVIS tool design. It starts from the premise that usability in GVIS should be incorporated and implemented throughout the whole design and development process. To facilitate this, Subject Technology Matching (STM) is proposed as a new approach to assessing and interpreting user requirements. Based on STM, a new design framework called Usability Enhanced Coordination Design (UECD) is ten presented with the purpose of leveraging overall usability of the design outputs. UECD places GVIS experts in a new key role in the design process, to form a more coordinated and integrated workflow and a more focused and interactive usability testing. To prove the concept, these theoretical elements of the framework have been implemented in two test projects: one is the creation of a coastal inundation simulation for Whitegate, Cork, Ireland; the other is a flooding mapping tool for Zhushan Town, Jiangsu, China. The two case studies successfully demonstrated the potential merits of the UECD approach when GVIS techniques are applied to geographic problem solving and decision making. The thesis delivers a comprehensive understanding of the development and challenges of GVIS technology, its usability concerns, usability and associated UCD; it explores the possibility of putting UCD framework in GVIS design; it constructs a new theoretical design framework called UECD which aims to make the whole design process usability driven; it develops the key concept of STM into a template set to improve the performance of a GVIS design. These key conceptual and procedural foundations can be built on future research, aimed at further refining and developing UECD as a useful design methodology for GVIS scholars and practitioners.

Optimised crystal morphologies for active pharmaceutical ingredients and related studies

The majority of active pharmaceutical ingredients (APIs) are crystalline solids in their pure forms. Crystalline solids have definable morphologies, i.e. shape and size. Crystal morphology is determined by both the internal structure of the crystals and external factors during growth from solution. The morphology of a crystal batch can affect key processes during manufacturing. Companies generally accept whatever morphology the manufacturing process provides and deal with any subsequent problems by costly trouble‒shooting. Rational design of optimised morphologies for crystalline pharmaceutical solids would be a very significant technical and commercial advance. Chapter one introduces the concept of crystal nucleation and growth. The phenomenon of polymorphism alongside the causes and impact is discussed. A summary of the scope of instrumentation used in the investigation of crystal polymorphism and morphology, including crystal size distribution (CSD), is also included. Chapter two examines the research carried out during an exploration of the optimum crystallisation parameters of phenacetin. Following a morphological study, the impact this induces on particle density and flow properties is examined. The impact of impurities on the crystallisation properties of phenacetin is investigated. Significantly, the location of impurities within individual crystals is also studied. The third chapter describes an industrial collaboration looking at the resolution and polymorphic study of trometamol and lysine salts of ketoprofen and 2‒phenylpropionic acid (2‒PPA). Chapter four incorporates a solid state study on three separate compounds: 2‒chloro‒4‒nitroaniline, 4‒hydroxy‒N‒phenylbenzenesulfonamide and N‒acetyl‒D‒glucosamine‒6‒O‒sulfate. 2‒Chloro‒4‒nitroaniline and 4‒hydroxy‒N‒phenylbenzenesulfonamide both produced interesting, extreme morphologies which warranted further investigation as part of a collaborative study. Following a summarisation of results in chapter five, chapter six contains the full experimental details, incorporating spectral and other analytical data for all compounds synthesised during the course of the research.

Engineering design of a bioprocess for the production of natural red colourants by submerged fermentation of the thermophilic fungus Penicillium purpurogenum GH2

The development of a new bioprocess requires several steps from initial concept to a practical and feasible application. Industrial applications of fungal pigments will depend on: (i) safety of consumption, (ii) stability of the pigments to the food processing conditions required by the products where they will be incorporated and (iii) high production yields so that production costs are reasonable. Of these requirements the first involves the highest research costs and the practical application of this type of processes may face several hurdles until final regulatory approval as a new food ingredient. Therefore, before going through expensive research to have them accepted as new products, the process potential should be assessed early on, and this brings forward pigment stability studies and process optimisation goals. Only ingredients that are usable in economically feasible conditions should progress to regulatory approval. This thesis covers these two aspects, stability and process optimisation, for a potential new ingredient; natural red colour, produced by microbial fermentation. The main goal was to design, optimise and scale-up the production process of red pigments by Penicillium purpurogenum GH2. The approach followed to reach this objective was first to establish that pigments produced by Penicillium purpurogenum GH2 are sufficiently stable under different processing conditions (thermal and non-thermal) that can be found in food and textile industries. Once defined that pigments were stable enough, the work progressed towards process optimisation, aiming for the highest productivity using submerged fermentation as production culture. Optimum production conditions defined at flask scale were used to scale up the pigment production process to a pilot reactor scale. Finally, the potential applications of the pigments were assessed. Based on this sequence of specific targets, the thesis was structured in six parts, containing a total of nine chapters. Engineering design of a bioprocess for the production of natural red colourants by submerged fermentation of the thermophilic fungus Penicillium purpurogenum GH2.