20 resultados para Workflow Managment
em AMS Tesi di Dottorato - Alm@DL - Università di Bologna
Excitonic properties of transition metal oxide perovskites and workflow automatization of GW schemes
Resumo:
The Many-Body-Perturbation Theory approach is among the most successful theoretical frameworks for the study of excited state properties. It allows to describe the excitonic interactions, which play a fundamental role in the optical response of insulators and semiconductors. The first part of the thesis focuses on the study of the quasiparticle, optical and excitonic properties of \textit{bulk} Transition Metal Oxide (TMO) perovskites using a G$_0$W$_0$+Bethe Salpeter Equation (BSE) approach. A representative set of 14 compounds has been selected, including 3d, 4d and 5d perovskites. An approximation of the BSE scheme, based on an analytic diagonal expression for the inverse dielectric function, is used to compute the exciton binding energies and is carefully bench-marked against the standard BSE results. In 2019 an important breakthrough has been achieved with the synthesis of ultrathin SrTiO3 films down to the monolayer limit. This allows us to explore how the quasiparticle and optical properties of SrTiO3 evolve from the bulk to the two-dimensional limit. The electronic structure is computed with G0W0 approach: we prove that the inclusion of the off-diagonal self-energy terms is required to avoid non-physical band dispersions. The excitonic properties are investigated beyond the optical limit at finite momenta. Lastly a study of the under pressure optical response of the topological nodal line semimetal ZrSiS is presented, in conjunction with the experimental results from the group of Prof. Dr. Kuntscher of the Augsburg University. The second part of the thesis discusses the implementation of a workflow to automate G$_0$W$_0$ and BSE calculations with the VASP software. The workflow adopts a convergence scheme based on an explicit basis-extrapolation approach [J. Klimeš \textit{et al.}, Phys. Rev.B 90, 075125 (2014)] which allows to reduce the number of intermediate calculations required to reach convergence and to explicit estimate the error associated to the basis-set truncation.
Resumo:
This thesis proposes a new document model, according to which any document can be segmented in some independent components and transformed in a pattern-based projection, that only uses a very small set of objects and composition rules. The point is that such a normalized document expresses the same fundamental information of the original one, in a simple, clear and unambiguous way. The central part of my work consists of discussing that model, investigating how a digital document can be segmented, and how a segmented version can be used to implement advanced tools of conversion. I present seven patterns which are versatile enough to capture the most relevant documents’ structures, and whose minimality and rigour make that implementation possible. The abstract model is then instantiated into an actual markup language, called IML. IML is a general and extensible language, which basically adopts an XHTML syntax, able to capture a posteriori the only content of a digital document. It is compared with other languages and proposals, in order to clarify its role and objectives. Finally, I present some systems built upon these ideas. These applications are evaluated in terms of users’ advantages, workflow improvements and impact over the overall quality of the output. In particular, they cover heterogeneous content management processes: from web editing to collaboration (IsaWiki and WikiFactory), from e-learning (IsaLearning) to professional printing (IsaPress).
Resumo:
Coordinating activities in a distributed system is an open research topic. Several models have been proposed to achieve this purpose such as message passing, publish/subscribe, workflows or tuple spaces. We have focused on the latter model, trying to overcome some of its disadvantages. In particular we have applied spatial database techniques to tuple spaces in order to increase their performance when handling a large number of tuples. Moreover, we have studied how structured peer to peer approaches can be applied to better distribute tuples on large networks. Using some of these result, we have developed a tuple space implementation for the Globus Toolkit that can be used by Grid applications as a coordination service. The development of such a service has been quite challenging due to the limitations imposed by XML serialization that have heavily influenced its design. Nevertheless, we were able to complete its implementation and use it to implement two different types of test applications: a completely parallelizable one and a plasma simulation that is not completely parallelizable. Using this last application we have compared the performance of our service against MPI. Finally, we have developed and tested a simple workflow in order to show the versatility of our service.
Resumo:
Background. One of the phenomena observed in human aging is the progressive increase of a systemic inflammatory state, a condition referred to as “inflammaging”, negatively correlated with longevity. A prominent mediator of inflammation is the transcription factor NF-kB, that acts as key transcriptional regulator of many genes coding for pro-inflammatory cytokines. Many different signaling pathways activated by very diverse stimuli converge on NF-kB, resulting in a regulatory network characterized by high complexity. NF-kB signaling has been proposed to be responsible of inflammaging. Scope of this analysis is to provide a wider, systemic picture of such intricate signaling and interaction network: the NF-kB pathway interactome. Methods. The study has been carried out following a workflow for gathering information from literature as well as from several pathway and protein interactions databases, and for integrating and analyzing existing data and the relative reconstructed representations by using the available computational tools. Strong manual intervention has been necessarily used to integrate data from multiple sources into mathematically analyzable networks. The reconstruction of the NF-kB interactome pursued with this approach provides a starting point for a general view of the architecture and for a deeper analysis and understanding of this complex regulatory system. Results. A “core” and a “wider” NF-kB pathway interactome, consisting of 140 and 3146 proteins respectively, were reconstructed and analyzed through a mathematical, graph-theoretical approach. Among other interesting features, the topological characterization of the interactomes shows that a relevant number of interacting proteins are in turn products of genes that are controlled and regulated in their expression exactly by NF-kB transcription factors. These “feedback loops”, not always well-known, deserve deeper investigation since they may have a role in tuning the response and the output consequent to NF-kB pathway initiation, in regulating the intensity of the response, or its homeostasis and balance in order to make the functioning of such critical system more robust and reliable. This integrated view allows to shed light on the functional structure and on some of the crucial nodes of thet NF-kB transcription factors interactome. Conclusion. Framing structure and dynamics of the NF-kB interactome into a wider, systemic picture would be a significant step toward a better understanding of how NF-kB globally regulates diverse gene programs and phenotypes. This study represents a step towards a more complete and integrated view of the NF-kB signaling system.
Resumo:
A new Coastal Rapid Environmental Assessment (CREA) strategy has been developed and successfully applied to the Northern Adriatic Sea. CREA strategy exploits the recent advent of operational oceanography to establish a CREA system based on an operational regional forecasting system and coastal monitoring networks of opportunity. The methodology wishes to initialize a coastal high resolution model, nested within the regional forecasting system, blending the large scale parent model fields with the available coastal observations to generate the requisite field estimates. CREA modeling system consists of a high resolution, O(800m), Adriatic SHELF model (ASHELF) implemented into the Northern Adriatic basin and nested within the Adriatic Forecasting System (AFS) (Oddo et al. 2006). The observational system is composed by the coastal networks established in the framework of ADRICOSM (ADRiatic sea integrated COastal areaS and river basin Managment system) Pilot Project. An assimilation technique exerts a correction of the initial field provided by AFS on the basis of the available observations. The blending of the two data sets has been carried out through a multi-scale optimal interpolation technique developed by Mariano and Brown (1992). Two CREA weekly exercises have been conducted: the first, at the beginning of May (spring experiment); the second in middle August (summer experiment). The weeks have been chosen looking at the availability of all coastal observations in the initialization day and one week later to validate model results, verifying our predictive skills. ASHELF spin up time has been investigated too, through a dedicated experiment, in order to obtain the maximum forecast accuracy within a minimum time. Energetic evaluations show that for the Northern Adriatic Sea and for the forcing applied, a spin-up period of one week allows ASHELF to generate new circulation features enabled by the increased resolution and its total kinetic energy to establish a new dynamical balance. CREA results, evaluated by mean of standard statistics between ASHELF and coastal CTDs, show improvement deriving from the initialization technique and a good model performance in the coastal areas of the Northern Adriatic basin, characterized by a shallow and wide continental shelf subject to substantial freshwater influence from rivers. Results demonstrate the feasibility of our CREA strategy to support coastal zone management and wish an additional establishment of operational coastal monitoring activities to advance it.
Resumo:
“Cartographic heritage” is different from “cartographic history”. The second term refers to the study of the development of surveying and drawing techniques related to maps, through time, i.e. through different types of cultural environment which were background for the creation of maps. The first term concerns the whole amount of ancient maps, together with these different types of cultural environment, which the history has brought us and which we perceive as cultural values to be preserved and made available to many users (public, institutions, experts). Unfortunately, ancient maps often suffer preservation problems of their analog support, mostly due to aging. Today, metric recovery in digital form and digital processing of historical cartography allow preserving map heritage. Moreover, modern geomatic techniques give us new chances of using historical information, which would be unachievable on analog supports. In this PhD thesis, the whole digital processing of recovery and elaboration of ancient cartography is reported, with a special emphasis on the use of digital tools in preservation and elaboration of cartographic heritage. It is possible to divide the workflow into three main steps, that reflect the chapter structure of the thesis itself: • map acquisition: conversion of the ancient map support from analog to digital, by means of high resolution scanning or 3D surveying (digital photogrammetry or laser scanning techniques); this process must be performed carefully, with special instruments, in order to reduce deformation as much as possible; • map georeferencing: reproducing in the digital image the native metric content of the map, or even improving it by selecting a large number of still existing ground control points; this way it is possible to understand the projection features of the historical map, as well as to evaluate and represent the degree of deformation induced by the old type of cartographic transformation (that can be unknown to us), by surveying errors or by support deformation, usually all errors of too high value with respect to our standards; • data elaboration and management in a digital environment, by means of modern software tools: vectorization, giving the map a new and more attractive graphic view (for instance, by creating a 3D model), superimposing it on current base maps, comparing it to other maps, and finally inserting it in GIS or WebGIS environment as a specific layer. The study is supported by some case histories, each of them interesting from the point of view of one digital cartographic elaboration step at least. The ancient maps taken into account are the following ones: • three maps of the Po river delta, made at the end of the XVI century by a famous land-surveyor, Ottavio Fabri (he is single author in the first map, co-author with Gerolamo Pontara in the second map, co-author with Bonajuto Lorini and others in the third map), who wrote a methodological textbook where he explains a new topographical instrument, the squadra mobile (mobile square) invented and used by himself; today all maps are preserved in the State Archive of Venice; • the Ichnoscenografia of Bologna by Filippo de’ Gnudi, made in the 1702 and today preserved in the Archiginnasio Library of Bologna; it is a scenographic view of the city, captured in a bird’s eye flight, but also with an icnographic value, as the author himself declares; • the map of Bologna by the periti Gregorio Monari and Antonio Laghi, the first map of the city derived from a systematic survey, even though it was made only ten years later (1711–1712) than the map by de’ Gnudi; in this map the scenographic view was abandoned, in favor of a more correct representation by means of orthogonal projection; today the map is preserved in the State Archive of Bologna; • the Gregorian Cadastre of Bologna, made in 1831 and updated until 1927, now preserved in the State Archive of Bologna; it is composed by 140 maps and 12 brogliardi (register volumes). In particular, the three maps of the Po river delta and the Cadastre were studied with respect to their acquisition procedure. Moreover, the first maps were analyzed from the georeferencing point of view, and the Cadastre was analyzed with respect to a possible GIS insertion. Finally, the Ichnoscenografia was used to illustrate a possible application of digital elaboration, such as 3D modeling. Last but not least, we must not forget that the study of an ancient map should start, whenever possible, from the consultation of the precious original analogical document; analysis by means of current digital techniques allow us new research opportunities in a rich and modern multidisciplinary context.
Resumo:
To date the hospital radiological workflow is completing a transition from analog to digital technology. Since the X-rays digital detection technologies have become mature, hospitals are trading on the natural devices turnover to replace the conventional screen film devices with digital ones. The transition process is complex and involves not just the equipment replacement but also new arrangements for image transmission, display (and reporting) and storage. This work is focused on 2D digital detector’s characterization with a concern to specific clinical application; the systems features linked to the image quality are analyzed to assess the clinical performances, the conversion efficiency, and the minimum dose necessary to get an acceptable image. The first section overviews the digital detector technologies focusing on the recent and promising technological developments. The second section contains a description of the characterization methods considered in this thesis categorized in physical, psychophysical and clinical; theory, models and procedures are described as well. The third section contains a set of characterizations performed on new equipments that appears to be some of the most advanced technologies available to date. The fourth section deals with some procedures and schemes employed for quality assurance programs.
Resumo:
Il presente studio si concentra sulle diverse applicazioni del telerilevamento termico in ambito urbano. Vengono inizialmente descritti la radiazione infrarossa e le sue interazioni con l’atmosfera terrestre, le leggi principali che regolano lo scambio di calore per irraggiamento, le caratteristiche dei sensori e le diverse applicazioni di termografia. Successivamente sono trattati nel dettaglio gli aspetti caratteristici della termografia da piattaforma satellitare, finalizzata principalmente alla valutazione del fenomeno dell'Urban Heat Island; vengono descritti i sensori disponibili, le metodologie di correzione per gli effetti atmosferici, per la stima dell'emissività delle superfici e per il calcolo della temperatura superficiale dei pixels. Viene quindi illustrata la sperimentazione effettuata sull'area di Bologna mediante immagini multispettrali ASTER: i risultati mostrano come sull'area urbana sia riscontrabile la presenza dell'Isola di Calore Urbano, anche se la sua quantificazione risulta complessa. Si procede quindi alla descrizione di potenzialità e limiti della termografia aerea, dei suoi diversi utilizzi, delle modalità operative di rilievo e degli algoritmi utilizzati per il calcolo della temperatura superficiale delle coperture edilizie. Tramite l’analisi di alcune esperienze precedenti vengono trattati l’influenza dell’atmosfera, la modellazione dei suoi effetti sulla radianza rilevata, i diversi metodi per la stima dell’emissività. Viene quindi introdotto il progetto europeo Energycity, finalizzato alla creazione di un sistema GeoWeb di supporto spaziale alle decisioni per la riduzione di consumi energetici e produzione di gas serra su sette città dell'Europa Centrale. Vengono illustrate le modalità di rilievo e le attività di processing dei datasets digitali per la creazione di mappe di temperatura superficiale da implementare nel sistema SDSS. Viene infine descritta la sperimentazione effettuata sulle immagini termiche acquisite nel febbraio 2010 sulla città di Treviso, trasformate in un mosaico georiferito di temperatura radiometrica tramite correzioni geometriche e radiometriche; a seguito della correzione per l’emissività quest’ultimo verrà trasformato in un mosaico di temperatura superficiale.
Resumo:
The research aims at developing a framework for semantic-based digital survey of architectural heritage. Rooted in knowledge-based modeling which extracts mathematical constraints of geometry from architectural treatises, as-built information of architecture obtained from image-based modeling is integrated with the ideal model in BIM platform. The knowledge-based modeling transforms the geometry and parametric relation of architectural components from 2D printings to 3D digital models, and create large amount variations based on shape grammar in real time thanks to parametric modeling. It also provides prior knowledge for semantically segmenting unorganized survey data. The emergence of SfM (Structure from Motion) provides access to reconstruct large complex architectural scenes with high flexibility, low cost and full automation, but low reliability of metric accuracy. We solve this problem by combing photogrammetric approaches which consists of camera configuration, image enhancement, and bundle adjustment, etc. Experiments show the accuracy of image-based modeling following our workflow is comparable to that from range-based modeling. We also demonstrate positive results of our optimized approach in digital reconstruction of portico where low-texture-vault and dramatical transition of illumination bring huge difficulties in the workflow without optimization. Once the as-built model is obtained, it is integrated with the ideal model in BIM platform which allows multiple data enrichment. In spite of its promising prospect in AEC industry, BIM is developed with limited consideration of reverse-engineering from survey data. Besides representing the architectural heritage in parallel ways (ideal model and as-built model) and comparing their difference, we concern how to create as-built model in BIM software which is still an open area to be addressed. The research is supposed to be fundamental for research of architectural history, documentation and conservation of architectural heritage, and renovation of existing buildings.
Resumo:
Additive Manufacturing (AM) is nowadays considered an important alternative to traditional manufacturing processes. AM technology shows several advantages in literature as design flexibility, and its use increases in automotive, aerospace and biomedical applications. As a systematic literature review suggests, AM is sometimes coupled with voxelization, mainly for representation and simulation purposes. Voxelization can be defined as a volumetric representation technique based on the model’s discretization with hexahedral elements, as occurs with pixels in the 2D image. Voxels are used to simplify geometric representation, store intricated details of the interior and speed-up geometric and algebraic manipulation. Compared to boundary representation used in common CAD software, voxel’s inherent advantages are magnified in specific applications such as lattice or topologically structures for visualization or simulation purposes. Those structures can only be manufactured with AM employment due to their complex topology. After an accurate review of the existent literature, this project aims to exploit the potential of the voxelization algorithm to develop optimized Design for Additive Manufacturing (DfAM) tools. The final aim is to manipulate and support mechanical simulations of lightweight and optimized structures that should be ready to be manufactured with AM with particular attention to automotive applications. A voxel-based methodology is developed for efficient structural simulation of lattice structures. Moreover, thanks to an optimized smoothing algorithm specific for voxel-based geometries, a topological optimized and voxelized structure can be transformed into a surface triangulated mesh file ready for the AM process. Moreover, a modified panel code is developed for simple CFD simulations using the voxels as a discretization unit to understand the fluid-dynamics performances of industrial components for preliminary aerodynamic performance evaluation. The developed design tools and methodologies perfectly fit the automotive industry’s needs to accelerate and increase the efficiency of the design workflow from the conceptual idea to the final product.
Resumo:
Besides increasing the share of electric and hybrid vehicles, in order to comply with more stringent environmental protection limitations, in the mid-term the auto industry must improve the efficiency of the internal combustion engine and the well to wheel efficiency of the employed fuel. To achieve this target, a deeper knowledge of the phenomena that influence the mixture formation and the chemical reactions involving new synthetic fuel components is mandatory, but complex and time intensive to perform purely by experimentation. Therefore, numerical simulations play an important role in this development process, but their use can be effective only if they can be considered accurate enough to capture these variations. The most relevant models necessary for the simulation of the reacting mixture formation and successive chemical reactions have been investigated in the present work, with a critical approach, in order to provide instruments to define the most suitable approaches also in the industrial context, which is limited by time constraints and budget evaluations. To overcome these limitations, new methodologies have been developed to conjugate detailed and simplified modelling techniques for the phenomena involving chemical reactions and mixture formation in non-traditional conditions (e.g. water injection, biofuels etc.). Thanks to the large use of machine learning and deep learning algorithms, several applications have been revised or implemented, with the target of reducing the computing time of some traditional tasks by orders of magnitude. Finally, a complete workflow leveraging these new models has been defined and used for evaluating the effects of different surrogate formulations of the same experimental fuel on a proof-of-concept GDI engine model.
Resumo:
The research project aims to improve the Design for Additive Manufacturing of metal components. Firstly, the scenario of Additive Manufacturing is depicted, describing its role in Industry 4.0 and in particular focusing on Metal Additive Manufacturing technologies and the Automotive sector applications. Secondly, the state of the art in Design for Additive Manufacturing is described, contextualizing the methodologies, and classifying guidelines, rules, and approaches. The key phases of product design and process design to achieve lightweight functional designs and reliable processes are deepened together with the Computer-Aided Technologies to support the approaches implementation. Therefore, a general Design for Additive Manufacturing workflow based on product and process optimization has been systematically defined. From the analysis of the state of the art, the use of a holistic approach has been considered fundamental and thus the use of integrated product-process design platforms has been evaluated as a key element for its development. Indeed, a computer-based methodology exploiting integrated tools and numerical simulations to drive the product and process optimization has been proposed. A validation of CAD platform-based approaches has been performed, as well as potentials offered by integrated tools have been evaluated. Concerning product optimization, systematic approaches to integrate topology optimization in the design have been proposed and validated through product optimization of an automotive case study. Concerning process optimization, the use of process simulation techniques to prevent manufacturing flaws related to the high thermal gradients of metal processes is developed, providing case studies to validate results compared to experimental data, and application to process optimization of an automotive case study. Finally, an example of the product and process design through the proposed simulation-driven integrated approach is provided to prove the method's suitability for effective redesigns of Additive Manufacturing based high-performance metal products. The results are then outlined, and further developments are discussed.
Resumo:
La presente ricerca ha avuto come obbietivo studiare come stia avvenendo l'adattamento dei tradizionali laboratori fotochimici di film alle tecniche digitali attraverso l'analisi delle politiche di preservazione, del restauro, dei costi relativi all’acquisto di nuove apparecchiature e della migrazione ai nuovi media presso il British Film Institute (BFI), lo Svenska Filminstitutet (SFI), l’Eye Filmmuseum, L'Immagine Ritrovata e ANIM - Cinemateca Portuguesa. A questo scopo è stato utilizzato il metodo dello studio di caso, in cui sono state effettuate interviste con gestori e tecnici delle istituzioni citate al fine di rispondere al quesito della presente ricerca: quali sono l’impatto e le implicazioni di questo adattamento? Quali sono i risultati raggiunti con le nuove attrezzature e metodi di restauro e preservazione? Per arrivare a rispondere a queste domande lo studio è stato diviso in due sezioni. Nella prima parte, sono riportate le interviste svolte presso SFI, BFI, Eye e L'Immagine Ritrovata, realizzate al fine di ottenere dati che permettessero di formulare un'intervista più completa e approfondita. Successivamente, questa intervista più dettagliata è stata condotta con una sola istituzione, la Cinemateca Portuguesa. Pertanto, nella seconda parte dello studio di caso, sono state realizzate interviste a tecnici e dirigenti di ANIM - Cinemateca Portuguesa e dei suoi laboratori partner. L'analisi dei risultati comprende tutte le informazioni provenienti dalle cinque istituzioni intervistate. È stato notato che l'adattamento al digitale ha effettivamente apportato miglioramenti nella preservazione e nel recupero del materiale fotochimico, ma ciò ha anche fatto sorgere alcuni dilemmi nei laboratori. C'è apprensione per la scarsità di materiale della filiera fotochimica e per una sua ipotetica fine nel prossimo futuro, poiché non ci sono ancora sufficienti conoscenze sulla filiera digitale e sul comportamento di questi media con il passare del tempo. Gli intervistati hanno altresì dimostrato positività riguardo alle tecnologie digitali.
Resumo:
Sandy coasts represent vital areas whose preservation and maintenance also involve economic and tourist interests. Besides, these dynamic environments undergo the erosion process at different levels depending on their specific characteristics. For this reason, defence interventions are commonly realized by combining engineering solutions and management policies to evaluate their effects over time. Monitoring activities represent the fundamental instrument to obtain a deep knowledge of the investigated phenomenon. Thanks to technological development, several possibilities both in terms of geomatic surveying techniques and processing tools are available, allowing to reach high performances and accuracy. Nevertheless, when the littoral definition includes both emerged and submerged beaches, several issues have to be considered. Therefore, the geomatic surveys and all the following steps need to be calibrated according to the individual application, with the reference system, accuracy and spatial resolution as primary aspects. This study provides the evaluation of the available geomatic techniques, processing approaches, and derived products, aiming at optimising the entire workflow of coastal monitoring by adopting an accuracy-efficiency trade-off. The presented analyses highlight the balance point when the increase in performance becomes an additional value for the obtained products ensuring proper data management. This perspective can represent a helpful instrument to properly plan the monitoring activities according to the specific purposes of the analysis. Finally, the primary uses of the acquired and processed data in monitoring contexts are presented, also considering possible applications for numerical modelling as supporting tools. Moreover, the theme of coastal monitoring has been addressed throughout this thesis by considering a practical point of view, linking to the activities performed by Arpae (Regional agency for prevention, environment and energy of Emilia-Romagna). Indeed, the Adriatic coast of Emilia-Romagna, where sandy beaches particularly exposed to erosion are present, has been chosen as a case study for all the analyses and considerations.
Resumo:
Legionella is a Gram-negative bacterium that represent a public health issue, with heavy social and economic impact. Therefore, it is mandatory to provide a proper environmental surveillance and risk assessment plan to perform Legionella control in water distribution systems in hospital and community buildings. The thesis joins several methodologies in a unique workflow applied for the identification of non-pneumophila Legionella species (n-pL), starting from standard methods as culture and gene sequencing (mip and rpoB), and passing through innovative approaches as MALDI-TOF MS technique and whole genome sequencing (WGS). The results obtained, were compared to identify the Legionella isolates, and lead to four presumptive novel Legionella species identification. One of these four new isolates was characterized and recognized at taxonomy level with the name of Legionella bononiensis (the 64th Legionella species). The workflow applied in this thesis, help to increase the knowledge of Legionella environmental species, improving the description of the environment itself and the events that promote the growth of Legionella in their ecological niche. The correct identification and characterization of the isolates permit to prevent their spread in man-made environment and contain the occurrence of cases, clusters, or outbreaks. Therefore, the experimental work undertaken, could support the preventive measures during environmental and clinical surveillance, improving the study of species often underestimated or still unknown.