968 resultados para formula workflow
Resumo:
Ecological models written in a mathematical language L(M) or model language, with a given style or methodology can be considered as a text. It is possible to apply statistical linguistic laws and the experimental results demonstrate that the behaviour of a mathematical model is the same of any literary text of any natural language. A text has the following characteristics: (a) the variables, its transformed functions and parameters are the lexic units or LUN of ecological models; (b) the syllables are constituted by a LUN, or a chain of them, separated by operating or ordering LUNs; (c) the flow equations are words; and (d) the distribution of words (LUM and CLUN) according to their lengths is based on a Poisson distribution, the Chebanov's law. It is founded on Vakar's formula, that is calculated likewise the linguistic entropy for L(M). We will apply these ideas over practical examples using MARIOLA model. In this paper it will be studied the problem of the lengths of the simple lexic units composed lexic units and words of text models, expressing these lengths in number of the primitive symbols, and syllables. The use of these linguistic laws renders it possible to indicate the degree of information given by an ecological model.
Resumo:
Neste trabalho é relatado o processo de projeto de um chassis para um veículo de Formula Student. Ao longo do relatório são abordados aspetos regulamentares, requisitos e objetivos técnicos, a interligação com os diversos sistemas do veículo, os aspetos relacionados com o projeto da estrutura, métodos de modelação para análise com recurso ao método dos elementos finitos, e por fim a análise dos esforços aplicados ao chassis e a validação do mesmo.
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:
LHC experiments produce an enormous amount of data, estimated of the order of a few PetaBytes per year. Data management takes place using the Worldwide LHC Computing Grid (WLCG) grid infrastructure, both for storage and processing operations. However, in recent years, many more resources are available on High Performance Computing (HPC) farms, which generally have many computing nodes with a high number of processors. Large collaborations are working to use these resources in the most efficient way, compatibly with the constraints imposed by computing models (data distributed on the Grid, authentication, software dependencies, etc.). The aim of this thesis project is to develop a software framework that allows users to process a typical data analysis workflow of the ATLAS experiment on HPC systems. The developed analysis framework shall be deployed on the computing resources of the Open Physics Hub project and on the CINECA Marconi100 cluster, in view of the switch-on of the Leonardo supercomputer, foreseen in 2023.
Resumo:
Lo scopo del presente lavoro è quello di determinare una metodologia di analisi vibroacustica di validità generale applicabile a tutti i casi nei quali la forzante sia di tipo vibrazionale. Nello specifico si è analizzato il comportamento strutturale e acustico di un impianto di scarico di una monoposto Formula SAE. Ricorrendo all’analisi FEM (Finite Element Method) è possibile determinare e quantificare gli effetti dannosi causati dalle vibrazioni già nella fase di prototipazione permettendo una sostanziale riduzione dei tempi e costi. La determinazione del comportamento strutturale del modello alle vibrazioni è iniziata dall’analisi modale, grazie alla quale sono state determinate le frequenze naturali e i modi propri dell’impianto di scarico. Successivamente, l’analisi FRF (Frequency Response Function) ha permesso di conoscere la risposta del nostro sistema ad una forzante imposta mettendo in luce le diverse criticità strutturali. Con il presupposto di ottenere delle condizioni di carico che fossero il più vicine possibili alle normali condizioni operative si è impostata un’analisi PSD (Power Spectral Density). Per concludere la prima parte dell’analisi si è reso necessario indagare anche il comportamento a fatica vibrazionale, valutando in questo modo le zone soggette a vita finita e quindi le prime a cedere in fase di esercizio. La parte finale è stata dedicata all’analisi del rumore. Dall’analisi FRF si è determinata la SPL (Sound Pressure Level) ottenendo come output un valore di pressione sonora prodotto dall’effetto della propagazione delle onde di pressione generate dalla vibrazione strutturale dell’impianto di scarico. Infine, l’analisi di Transmission Loss ha permesso di valutare l’efficacia della geometria del silenziatore sulla riduzione del livello acustico generato dal transito dei gas di scarico alle diverse frequenze.
Resumo:
Modern society is now facing significant difficulties in attempting to preserve its architectural heritage. Numerous challenges arise consequently when it comes to documentation, preservation and restoration. Fortunately, new perspectives on architectural heritage are emerging owing to the rapid development of digitalization. Therefore, this presents new challenges for architects, restorers and specialists. Additionally, this has changed the way they approach the study of existing heritage, changing from conventional 2D drawings in response to the increasing requirement for 3D representations. Recently, Building Information Modelling for historic buildings (HBIM) has escalated as an emerging trend to interconnect geometrical and informational data. Currently, the latest 3D geomatics techniques based on 3D laser scanners with enhanced photogrammetry along with the continuous improvement in the BIM industry allow for an enhanced 3D digital reconstruction of historical and existing buildings. This research study aimed to develop an integrated workflow for the 3D digital reconstruction of heritage buildings starting from a point cloud. The Pieve of San Michele in Acerboli’s Church in Santarcangelo Di Romagna (6th century) served as the test bed. The point cloud was utilized as an essential referential to model the BIM geometry using Autodesk Revit® 2022. To validate the accuracy of the model, Deviation Analysis Method was employed using CloudCompare software to determine the degree of deviation between the HBIM model and the point cloud. The acquired findings showed a very promising outcome in the average distance between the HBIM model and the point cloud. The conducted approach in this study demonstrated the viability of producing a precise BIM geometry from point clouds.
Resumo:
Il settore del mobile è frammentato, caratteristica che non ha mai permesso una completa digitalizzazione dei suoi comparti: la comunicazione è risultata spesso difficoltosa, responsabile di incomprensioni e spesso mancanza di puntualità, con conseguente dispendio di risorse. Nel mio progetto di tesi analizzo principalmente la filiera degli imbottiti e quella tessile, collaterale ad essa. Il target di mio interesse sono le aziende produttrici di arredi che si servono di configuratori per la presentazione dei prodotti ai propri clienti. Ho ipotizzato un workflow suddivisibile in due fasi, una attuabile nel presente ed una seconda che implica una variazione attuabile nel futuro prossimo. Per la prima fase ho studiato un workflow agile al fine di digitalizzare le texture a partire da acquisizioni fotografiche. Analizzando il comportamento di vari tessuti ed elaborando un metodo di riproduzione digitale, ho sperimentato una metodologia per una resa superficiale degli imbottiti accurata e fotorealistica sia su piattaforme web che in realtà aumentata. Lo studio nasce dall’esigenza di apportare migliorie agli attuali configuratori e renderli effettivamente utili al fine per cui sono stati pensati: garantire una semplificazione del processo di acquisto rispondendo alle necessità degli utenti di vedere in anteprima l’aspetto finale del proprio arredo, collocato nello spazio abitativo. Il configuratore che ne deriva, restituirà una visualizzazione fedele dei tessuti anche in realtà aumentata. L’intelligenza artificiale fungerà da supporto nel processo decisionale dell’utente e la scelta dei materiali che compongono l’arredo sarà guidata in maniera tale da generare nell’utente un senso di consapevolezza circa gli impatti sull’ambiente. Per la seconda fase propongo una modalità di creazione dei tessuti completamente digitalizzata, a favore di una filiera sostenibile che riesce in questo modo ad abbattere costi e sprechi, con conseguente risparmio di risorse.
Resumo:
Following the latest environmental concerns, the importance of minimising the detrimental effect of emissions of terrestrial vehicles has become a major goal for the whole automotive field. The key to achieve an emission-free long term future is the electrification of vehicle fleets; this huge step cannot be taken without intermediate technologies. In this context, hybrid vehicles are fundamental to reach this goal. Specifically, mild hybrid vehicles represent a trade-off between cost and emissions that could act now as a bridge towards electrification. Like the industry, also student engineering competitions are likely to take the same route: Combustion vehicles may well turn into hybrid vehicles. For this reason, a preliminary design overview is necessary to pinpoint the key performance indicators for the prototypes of the future.
Resumo:
As a witness on the industrialization in Bologna, since its first generation was born in the late 1760, the Battiferro lock has been coping with the innovation that the city experienced throughout the centuries, until it has lost its functionality due to the technological development for which Bologna’s canals were gradually covered starting from the 1950s under Giuseppe Dozza ’s administration, as part of the reconstruction, reclamation and urban requalification that was carried out in the aftermath the World War II and which involved the whole city. The interest of the research carried out on this case study was primarily to reintroduce the landmark that is still intact, to what is considered to be the fourth generation of the industrial revolution, namely in the construction field, which is recognized as Construction 4.0, by means of the Historic (or Heritage) Information Modeling HBIM and Virtual Reality (VR) application. A scan-to-BIM approach was followed to create 3D as-built BIM model, as a first step towards the storytelling of the abandoned industrial built asset in VR environment, or as a seed for future applications such as Digital Twins (DT), heritage digital learning, sustainable impact studies, and/or interface with other interfaces such as GIS. Based on the HBIM product, examples of the primary BIM deliverables such as 2D layouts is given, then a workflow to VR is proposed and investigated the reliability of data and the type of users that may benefit of the VR experience, then the potential future development of the model is investigated, with comparison of a relatively similar experience in the UK.
Resumo:
The basic reproduction number is a key parameter in mathematical modelling of transmissible diseases. From the stability analysis of the disease free equilibrium, by applying Routh-Hurwitz criteria, a threshold is obtained, which is called the basic reproduction number. However, the application of spectral radius theory on the next generation matrix provides a different expression for the basic reproduction number, that is, the square root of the previously found formula. If the spectral radius of the next generation matrix is defined as the geometric mean of partial reproduction numbers, however the product of these partial numbers is the basic reproduction number, then both methods provide the same expression. In order to show this statement, dengue transmission modelling incorporating or not the transovarian transmission is considered as a case study. Also tuberculosis transmission and sexually transmitted infection modellings are taken as further examples.
Resumo:
The purpose of this study was to evaluate the effectiveness of mature red cell and reticulocyte parameters under three conditions: iron deficiency anemia, anemia of chronic disease, and anemia of chronic disease associated with absolute iron deficiency. Peripheral blood cells from 117 adult patients with anemia were classified according to iron status, and inflammatory activity, and the results of a hemoglobinopathy investigation as: iron deficiency anemia (n=42), anemia of chronic disease (n=28), anemia of chronic disease associated with iron deficiency anemia (n=22), and heterozygous β thalassemia (n=25). The percentage of microcytic red cells, hypochromic red cells, and levels of hemoglobin content in both reticulocytes and mature red cells were determined. Receiver operating characteristic analysis was used to evaluate the accuracy of the parameters in differentiating between the different types of anemia. There was no significant difference between the iron deficient group and anemia of chronic disease associated with absolute iron deficiency in respect to any parameter. The percentage of hypochromic red cells was the best parameter to discriminate anemia of chronic disease with and without absolute iron deficiency (area under curve=0.785; 95% confidence interval: 0.661-0.909, with sensitivity of 72.7%, and specificity of 70.4%; cut-off value 1.8%). The formula microcytic red cells minus hypochromic red cells was very accurate in differentiating iron deficiency anemia and heterozygous β thalassemia (area under curve=0.977; 95% confidence interval: 0.950-1.005; with sensitivity of 96.2%, and specificity of 92.7%; cut-off value 13.8). The indices related to red cells and reticulocytes have a moderate performance in identifying absolute iron deficiency in patients with anemia of chronic disease.
Resumo:
Using a desorption/ionization technique, easy ambient sonic-spray ionization coupled to mass spectrometry (EASI-MS), documents related to the 2nd generation of Brazilian Real currency (R$) were screened in the positive ion mode for authenticity based on chemical profiles obtained directly from the banknote surface. Characteristic profiles were observed for authentic, seized suspect counterfeit and counterfeited homemade banknotes from inkjet and laserjet printers. The chemicals in the authentic banknotes' surface were detected via a few minor sets of ions, namely from the plasticizers bis(2-ethylhexyl)phthalate (DEHP) and dibutyl phthalate (DBP), most likely related to the official offset printing process, and other common quaternary ammonium cations, presenting a similar chemical profile to 1st-generation R$. The seized suspect counterfeit banknotes, however, displayed abundant diagnostic ions in the m/z 400-800 range due to the presence of oligomers. High-accuracy FT-ICR MS analysis enabled molecular formula assignment for each ion. The ions were separated by 44 m/z, which enabled their characterization as Surfynol® 4XX (S4XX, XX=40, 65, and 85), wherein increasing XX values indicate increasing amounts of ethoxylation on a backbone of 2,4,7,9-tetramethyl-5-decyne-4,7-diol (Surfynol® 104). Sodiated triethylene glycol monobutyl ether (TBG) of m/z 229 (C10H22O4Na) was also identified in the seized counterfeit banknotes via EASI(+) FT-ICR MS. Surfynol® and TBG are constituents of inks used for inkjet printing.
Resumo:
We report a combined study of external pressure and Cu-substitution on BaFe2As2 single crystals grown by the in-flux technique. At ambient pressure, the Cu-substitution is known to suppress the spin density wave (SDW) phase in pure BaFe2As2(TSDW ≈ 140 K) and to induce a superconducting (SC) dome with a maximum transition temperature [Formula: see text]. This [Formula: see text] is much lower than the Tc ∼ 15-28 K achieved in the case of Ru, Ni and Co substitutions. Such a lower Tc is attributed to a Cu(2+) magnetic pair-breaking effect. The latter is strongly suppressed by applied pressure, as shown herein, Tc can be significantly enhanced by applying high pressures. In this work, we investigated the pressure effects on Cu(2+) magnetic pair-breaking in the BaFe2-xCuxAs2 series. Around the optimal concentration (xopd = 0.11), all samples showed a substantial increase of Tc as a function of pressure. Yet for those samples with a slightly higher doping level (over-doped regime), Tc presented a dome-like shape with maximum Tc ≃ 8 K. Remarkably interesting, the under-doped samples, e.g. x = 0.02 display a maximum pressure induced Tc ≃ 30 K which is comparable to the maximum Tc's found for the pure compound under external pressures. Furthermore, the magnetoresistance effect as a function of pressure in the normal state of the x = 0.02 sample also presented an evolution consistent with the screening of the Cu(2+) local moments. These findings demonstrate that the Cu(2+) magnetic pair-breaking effect is completely suppressed by applying pressure in the low concentration regime of Cu(2+) substituted BaFe2As2.
Resumo:
It was done microencapsulation of natural essencial orange oil through spray-drying. The purpose was to use the best proportion of wall materials among maltodextrin, acacia gum, and modified starch (capsul) in order to retain greater amount of orange oil. The orange oil (10%) and maltodextrin (36%) remained constant. Three spray drying temperatures were employed: 180°C, 200°C and 220°C, therefore, nine final products were obtained. The superficial and inner oil concentrations were measured. The microcapsules were also examined through optical and scanning electron microscopy. The three temperatures employed did not affect the microencapsulation. The microstructure of the capsules were almost similar regardless the proportion employed among the carbohydrates to wall composition. At light microscopy it was observed a great heterogeneity of capsules diameters, and probably not smooth surfaces; at scanning electron microscopy it was clear that the walls displayed porosity over round surfaces. The best retention was given by the formula containing 10% of capsul, 10% of orange oil and 36% of maltodextrin, when total oil retention was 94%, regardless the drying temperature here employed.
Resumo:
Accelerated stability tests are indicated to assess, within a short time, the degree of chemical degradation that may affect an active substance, either alone or in a formula, under normal storage conditions. This method is based on increased stress conditions to accelerate the rate of chemical degradation. Based on the equation of the straight line obtained as a function of the reaction order (at 50 and 70 ºC) and using Arrhenius equation, the speed of the reaction was calculated for the temperature of 20 ºC (normal storage conditions). This model of accelerated stability test makes it possible to predict the chemical stability of any active substance at any given moment, as long as the method to quantify the chemical substance is available. As an example of the applicability of Arrhenius equation in accelerated stability tests, a 2.5% sodium hypochlorite solution was analyzed due to its chemical instability. Iodometric titration was used to quantify free residual chlorine in the solutions. Based on data obtained keeping this solution at 50 and 70 ºC, using Arrhenius equation and considering 2.0% of free residual chlorine as the minimum acceptable threshold, the shelf-life was equal to 166 days at 20 ºC. This model, however, makes it possible to calculate shelf-life at any other given temperature.