Approaching Theoretical Performances of Electrocatalytic Hydrogen Peroxide Generation by Cobalt-Nitrogen Moieties

Electrocatalytic oxygen reduction reaction (ORR) has been intensively studied for environmentally benign applications. However, insufficient understanding of ORR 2 e−-pathway mechanism at the atomic level inhibits rational design of catalysts with both high activity and selectivity, causing concerns including catalyst degradation due to Fenton reaction or poor efficiency of H2O2 electrosynthesis. Herein we show that the generally accepted ORR electrocatalyst design based on a Sabatier volcano plot argument optimises activity but is unable to account for the 2 e−-pathway selectivity. Through electrochemical and operando spectroscopic studies on a series of CoNx/carbon nanotube hybrids, a construction-driven approach based on an extended “dynamic active site saturation” model that aims to create the maximum number of 2 e− ORR sites by directing the secondary ORR electron transfer towards the 2 e− intermediate is proven to be attainable by manipulating O2 hydrogenation kinetics

A computer-aided architectural design system for the analysis, synthesis and appraisal of domestic activity spaces and house plans.

Investigations on functional aspects of domestic activity spaces and of other related design theories have led to the formulation of novel design models for the analysis, synthesis and evaluation processes of house design. A theoretical model of the 2—D plan layout of activity spaces was first developed so as to allow appraisal of the space utilisation efficiency of such layouts, taking into account the distribution of elements (predominantly furniture and fittings) and the user space required for using these elements, and also to allow for the development of a model to "assemble" and combine these elements to form activity spaces. For the synthesis design process a model was developed, according to which layouts would be assembled on five design levels, each level being defined by its layout size and type, using modular elements from the lowest of these design levels, which contained a library of domestic planning elements, and taking into account layout design on dimensionally co-ordinated grids. Any intermediate plan level would be worked on, as desired, to arrive at Level 5, the complete floor plan. Subsequently, a computer graphics program was obtained, amended and complemented, which allowed implementation of the synthesis design model, thus providing the interactivity and flexibility required for the "manipulation" of planning elements. For the appraisal design process, a mathematical method of evaluating proportional floor area usage of activity spaces was developed, based on a penalty system containing three main penalty factors: one, a penalty factor based on the cumulative effects and degree of admissibility of overlaps of various elemental sub- areas, each area relating to the nature of the associated activity performed; two, a penalty factor based on the economy of the perimeter length of the activity space; and three, a penalty factor based on the economy of proportional floor area consumption within the activity space. The appraisal process becomes iterative, with various layout alternatives being investigated as the designer attempts to improve solutions towards some optimum layout. A numerical computer program was obtained, substantially rewritten and complemented, so as to enable both numerical and graphical output by separate programs that operated in conjunction with the synthesis graphics program, enabling evaluation of layouts according to the proposed evaluation model. Together with specifications for a computer program which, when implemented, will provide the designer with a design information retrieval system for use at the analysis design process, the developed programs constitute a novel CAAD system,of particular relevance at Stages C (Outline Proposals) and D (Scheme Design) of the R.I.B.A. Plan of Work. The system provides the architect with a flexible design and appraisal technique, which increases the speed and - more importantly - the quality of the architect's work in designing adaptable, marginal layouts. The system also lends itself to a number of other space utilisation applications, as well as forming an excellent basis for design participation

Bayesian belief network model for the safety assessment of nuclear computer-based systems

The formalism of Bayesian Belief Networks (BBNs) is being increasingly applied to probabilistic modelling and decision problems in a widening variety of fields. This method provides the advantages of a formal probabilistic model, presented in an easily assimilated visual form, together with the ready availability of efficient computational methods and tools for exploring model consequences. Here we formulate one BBN model of a part of the safety assessment task for computer and software based nuclear systems important to safety. Our model is developed from the perspective of an independent safety assessor who is presented with the task of evaluating evidence from disparate sources: the requirement specification and verification documentation of the system licensee and of the system manufacturer; the previous reputation of the various participants in the design process; knowledge of commercial pressures;information about tools and resources used; and many other sources. Based on these multiple sources of evidence, the independent assessor is ultimately obliged to make a decision as to whether or not the system should be licensed for operation within a particular nuclear plant environment. Our BBN model is a contribution towards a formal model of this decision problem. We restrict attention to a part of this problem: the safety analysis of the Computer System Specification documentation. As with other BBN applications we see this modelling activity as having several potential benefits. It employs a rigorous formalism as a focus for examination, discussion, and criticism of arguments about safety. It obliges the modeller to be very explicit about assumptions concerning probabilistic dependencies, correlations, and causal relationships. It allows sensitivity analyses to be carried out. Ultimately we envisage this BBN, or some later development of it, forming part of a larger model, which might well take the form of a larger BBN model, covering all sources of evidence about pre-operational life-cycle stages. This could provide an integrated model of all aspects of the task of the independent assessor, leading up to the final judgement about system safety in a particular context. We expect to offer some results of this further work later in the DeVa project

Constructive Interpretation in Design Thinking

This thesis explores the role of interpretation in design activity through the development of a computational model of constructive interpretation. It asks the question: how does the construction of interpretations from expectations within a situation affect design activity? This work hypothesises that designers construct their world from their expectations through interpretation. In interpreting their own work designers are able to make unexpected discoveries and explore the implicit knowledge held within their expectations of the world. These expectations are grounded in experience. A conceptual model for constructive interpretation is described. Knowledge held by designers is represented in a perceptual symbol system, in which knowledge organised in a hierarchy. Within this hierarchy, higher layers represent an increased level of abstraction. Knowledge is learnt through experience in an environment. The topmost layer in this hierarchy is the situation.Interpretation occurs through pull from the expectations. Expectations in a layer are changed by the layer above. The construction of expectations utilises knowledge about the world that the designer gains through experience. A computational framework for this conceptual model is described: (i) based upon conceptual spaces, where expectations within the situation perturb each other; and (ii) based upon a hierarchy of unsupervised learning networks, where prototypes represent convergence zones within conceptual space. Constructive interpretation is implemented in a number of demonstrations utilising modified self-organising maps linked together to represent layers in the conceptual model. Demonstrations show: (i) how situations are changed through construction from implicit expectations; (ii) how situations co-ordinate concepts through expectations that are grounded in experience; (iii) how construction from expectations produces stability in a chang ing environment; and (iv) how useful rather than accurate in! terpreta tions can be produced by constructing from expectations. A model of constructive interpretation in design is developed in which a system iterates through generation of designs from expectations and constructive interpretation. In one experiment an agent has experience with a number of floor plans. It uses its experience to draw in a design medium and interpret its own work. Through constructive interpretation from implicit expectations the situation changes leading to a new space of designs. It provides a model of the way that designers make unexpected discoveries within their work that are useful to the design task, through expectations, and relevant to the source, as the basis for constructing the interpretation. Another experiment uses sets of growth indicators about countries as concepts. The model shows how the space of designs changes through constructive interpretation and explores the effects of salience weighting upon the construction of interpretations. The work looks towards a situated model of design: a model of design that integrates interpretation, expectation and memory into the one cognitive framework. Constructive interpretation has applications for models of analogy and computational creativity. Future work in constructive interpretation is described

Design and characterization of functional nanomaterials on surfaces

Tesis doctoral inédita leída en la Universidad Autónoma de Madrid, Facultad de Ciencias, Departamento de Física de la Materia Condensada. Fecha de lectura: 21-10-2020The urgent need for developing new strategies to afford the increasing energy demand remains a challenge for many research fields, such as material science or energy engineering. In this respect, the field of nanoscience has emerged as a powerful field towards the design of functional nanomaterials, synthesized from both organic and inorganic materials. This new scientific discipline has led to the design of novel materials and opened up new avenues for traditional compounds. For instance, transition metal oxides have been proposed as promising catalysts in the oxygen evolution reaction for water splitting, of crucial relevance in clean energy. Additionally, the development of organic electronics, focused on the study of the electronic properties of carbon-based materials, plays an important role in the synthesis and transformation of traditional electronics by designing low-cost, flexible and sustainable electronic devices. In this thesis, we have grown and studied different nanomaterials on metallic surfaces related to energy efficiency, targeting to achieve global sustainability. First, we have studied the catalytic activity of CoO at the atomic scale towards the water splitting reaction. We have grown single bilayer CoO nanoislands, where the co-existence of two distinct phases has been observed. Such polymorphism has been rationalized due to the distinct lattice parameter and the registry with the substrate which induces the modification of its electronic properties, reactivity and, hence, of its catalytic activity. In addition, we have shown the capability to tune the phase by an electric field. Second, we have described the on-surface synthesis of new π-conjugated polymers with important applications in organic electronics. An innovative strategy towards the synthesis of low band gap π-conjugated polymers formed by acene or periacene units has been developed, which allows the control of their electronic structure, resonance form and topological quantum class by tuning the repeating unit size. Our results shed light into the atomistic adsorption and dissociation of water on a CoO model catalyst. Furthermore, we introduced pathways for controlling the electronic properties and quantum topological class of one dimensional polymers on metallic surface

Development of Key Performance Indicator (KPI) Reports for Water Billing System in Business Intelligence Application

In today's world, in order to achieve strategic objectives and to track enterprise performance, large amount of data gets analyzed thus becoming an essential business activity to improve decision-making. Key Performance Indicators (KPIs) are associated with specific purpose, so that work progress towards organization's objectives or mission can be measured. However, huge and small business requires such indicators to be carried out in the form of data warehousing (DW)/ business intelligence (BI) applications. To develop KPI Reports for Utility Billing Information System (UBIS), which further facilitates activities for Water Billing Department, becomes the main objective of this research. A list of requirements that is needed to develop this kind of reports was identified in order to achieve the stated objective. Furthermore, in order to design and develop DW for UBIS, DW/BI developing process was used, the dimensional model (DM) of the UBIS-KPI was defined and its DW model was designed. Moreover, the prototype of a BI application was developed based on the proposed DW model. To ensure that UBIS user's requirements are satisfactorily met, Computer System Usability Questionnaires (CSUQ) was used to evaluate the prototype. Finally, providing guidance to BI developers and supporting decision making of Water Billing department serves as the key contribution of this study

Building information modelling project decision support framework

Building Information Modelling (BIM) is an information technology [IT] enabled approach to managing design data in the AEC/FM (Architecture, Engineering and Construction/ Facilities Management) industry. BIM enables improved interdisciplinary collaboration across distributed teams, intelligent documentation and information retrieval, greater consistency in building data, better conflict detection and enhanced facilities management. Despite the apparent benefits the adoption of BIM in practice has been slow. Workshops with industry focus groups were conducted to identify the industry needs, concerns and expectations from participants who had implemented BIM or were BIM “ready”. Factors inhibiting BIM adoption include lack of training, low business incentives, perception of lack of rewards, technological concerns, industry fragmentation related to uneven ICT adoption practices, contractual matters and resistance to changing current work practice. Successful BIM usage depends on collective adoption of BIM across the different disciplines and support by the client. The relationship of current work practices to future BIM scenarios was identified as an important strategy as the participants believed that BIM cannot be efficiently used with traditional practices and methods. The key to successful implementation is to explore the extent to which current work practices must change. Currently there is a perception that all work practices and processes must adopt and change for effective usage of BIM. It is acknowledged that new roles and responsibilities are emerging and that different parties will lead BIM on different projects. A contingency based approach to the problem of implementation was taken which relies upon integration of BIM project champion, procurement strategy, team capability analysis, commercial software availability/applicability and phase decision making and event analysis. Organizations need to understand: (a) their own work processes and requirements; (b) the range of BIM applications available in the market and their capabilities (c) the potential benefits of different BIM applications and their roles in different phases of the project lifecycle, and (d) collective supply chain adoption capabilities. A framework is proposed to support organizations selection of BIM usage strategies that meet their project requirements. Case studies are being conducted to develop the framework. The results of the preliminary design management case study is presented for contractor led BIM specific to the design and construct procurement strategy

Towards Evidence Based M-Health Application Design in Cancer Patient Healthy Lifestyle Interventions

Cancer is one of the most prevalent diseases in Europe and the world. Significant correlations between dietary habits and cancer incidence and mortality have been confirmed by the literature. Physical activity habits are also directly implicated in the incidence of cancer. Lifestyle behaviour change may be benefited by using mobile technology to deliver health behaviour interventions. M-Health offers a promising cost-efficient approach to deliver en-masse interventions. Smartphone apps with constructs such as gamification and personalized have shown potential for helping individuals lose weight and maintain healthy lifestyle habits. However, evidence-based content and theory-based strategies have not been incorporated by those apps systematically yet. The aim of the current work is to put the foundations for a methodologically rigorous exploration of wellness/health intervention literature/app landscape towards detailed design specifications for connected health m-apps. In this context, both the overall work plan is described as well as the details for the significant steps of application space and literature space review. Both strategies for research and initial outcomes of it are presented. The expected evidence based design process for patient centered health and wellness interventions is going to be the primary input in the implementation process of upcoming patient centered health/wellness m-health interventions.ENJECT COST-STSM-ECOST-STSM-TD1405-220216-07045

Past, present and future of information and knowledge sharing in the construction industry: Towards semantic service-based e-construction

The paper reviews product data technology initiatives in the construction sector and provides a synthesis of related ICT industry needs. A comparison between (a) the data centric characteristics of Product Data Technology (PDT) and (b) ontology with a focus on semantics, is given, highlighting the pros and cons of each approach. The paper advocates the migration from data-centric application integration to ontology-based business process support, and proposes inter-enterprise collaboration architectures and frameworks based on semantic services, underpinned by ontology-based knowledge structures. The paper discusses the main reasons behind the low industry take up of product data technology, and proposes a preliminary roadmap for the wide industry diffusion of the proposed approach. In this respect, the paper stresses the value of adopting alliance-based modes of operation