The average mixing matrix signature

Laplacian-based descriptors, such as the Heat Kernel Signature and the Wave Kernel Signature, allow one to embed the vertices of a graph onto a vectorial space, and have been successfully used to find the optimal matching between a pair of input graphs. While the HKS uses a heat di↵usion process to probe the local structure of a graph, the WKS attempts to do the same through wave propagation. In this paper, we propose an alternative structural descriptor that is based on continuoustime quantum walks. More specifically, we characterise the structure of a graph using its average mixing matrix. The average mixing matrix is a doubly-stochastic matrix that encodes the time-averaged behaviour of a continuous-time quantum walk on the graph. We propose to use the rows of the average mixing matrix for increasing stopping times to develop a novel signature, the Average Mixing Matrix Signature (AMMS). We perform an extensive range of experiments and we show that the proposed signature is robust under structural perturbations of the original graphs and it outperforms both the HKS and WKS when used as a node descriptor in a graph matching task.

Mixing theory for culture and harvest in bioreactors of human mesenchymal stem cells on microcarriers

The use of human mesenchymal stem cells (hMSCs) in regenerative medicine is a potential major advance for the treatment of many medical conditions, especially with the use of allogeneic therapies where the cells from a single donor can be used to treat ailments in many patients. Such cells must be grown attached to surfaces and for large scale production, it is shown that stirred bioreactors containing ~200 μm particles (microcarriers) can provide such a surface. It is also shown that the just suspended condition, agitator speed NJS, provides a satisfactory condition for cell growth by minimizing the specific energy dissipation rate, εT, in the bioreactor whilst still meeting the oxygen demand of the cells. For the cells to be used for therapeutic purposes, they must be detached from the microcarriers before being cryopreserved. A strategy based on a short period (~7 min) of very high εT, based on theories of secondary nucleation, is effective at removing >99% cells. Once removed, the cells are smaller than the Kolmogorov scale of turbulence and hence not damaged. This approach is shown to be successful for culture and detachment in 4 types of stirred bioreactors from 15 mL to 5 L.

A spatial data warehouse to predict lithic sources of tombs from South of Portugal: mixing geochemistry, petrology, cartography and archaeology in spatial analysis

MEGAGEO - Moving megaliths in the Neolithic is a project that intends to find the provenience of lithic materials in the construction of tombs. A multidisciplinary approach is carried out, with researchers from several of the knowledge fields involved. This work presents a spatial data warehouse specially developed for this project that comprises information from national archaeological databases, geographic and geological information and new geochemical and petrographic data obtained during the project. The use of the spatial data warehouse proved to be essential in the data analysis phase of the project. The Redondo Area is presented as a case study for the application of the spatial data warehouse to analyze the relations between geochemistry, geology and the tombs in this area.

Development of numerical methodologies to predict the liquid fuel sprays - wall interaction to optimize the mixing process of direct injection spark ignition engines

Nowadays the development of new Internal Combustion Engines is mainly driven by the need to reduce tailpipe emissions of pollutants, Green-House Gases and avoid the fossil fuels wasting. The design of dimension and shape of the combustion chamber together with the implementation of different injection strategies e.g., injection timing, spray targeting, higher injection pressure, play a key role in the accomplishment of the aforementioned targets. As far as the match between the fuel injection and evaporation and the combustion chamber shape is concerned, the assessment of the interaction between the liquid fuel spray and the engine walls in gasoline direct injection engines is crucial. The use of numerical simulations is an acknowledged technique to support the study of new technological solutions such as the design of new gasoline blends and of tailored injection strategies to pursue the target mixture formation. The current simulation framework lacks a well-defined best practice for the liquid fuel spray interaction simulation, which is a complex multi-physics problem. This thesis deals with the development of robust methodologies to approach the numerical simulation of the liquid fuel spray interaction with walls and lubricants. The accomplishment of this task was divided into three tasks: i) setup and validation of spray-wall impingement three-dimensional CFD spray simulations; ii) development of a one-dimensional model describing the liquid fuel – lubricant oil interaction; iii) development of a machine learning based algorithm aimed to define which mixture of known pure components mimics the physical behaviour of the real gasoline for the simulation of the liquid fuel spray interaction.

A cohomological approach to Ruelle-Pollicott resonances and speed of mixing of Anosov diffeomorphisms

Given a transitive Anosov diffeomorphism on a closed manifold it is known that, for smooth enough observables, the system is mixing w.r.t. the measure of maximal entropy. Therefore, it makes sense to investigate the speed of decay of correlations and to look for the so-called Ruelle-Pollicott resonances, in order to determine a complete asymptotics for the decay of correlations. In this thesis we are able to find the first terms of that asymptotics and to prove an estimate for the speed of decaying of correlations. The proof is based on a surprising connection between the action of a transfer operator on suitable anisotropic Banach spaces of currents and the action induced by the Anosov map on the de Rham cohomology.

A comparison between vertical mixing parameterizations in the Levantine Sea

The goal of this thesis was the study of an optimal vertical mixing parameterization scheme in a mesoscale dominated field characterized from a strong vorticity and the presence of a layer of colder, less saline water at about 100 m depth (Atlantic Waters); in these conditions we compared six different experiments, that differ by the turbulent closure schemes, the presence or not of an enhanced diffusion parameterization and the presence or not of a double diffusion mixing parameterization. To evaluate the performance of the experiments and the model we compared the simulations with the ARGO observations of temperature and salinity available in our domain, in our period of interest. The conclusions were the following: • the increase of the resolution gives better results in terms of temperature in all the considered cases, and in terms of salinity. • The comparisons between the Pacanovski-Philander and the TKE turbulent closure schemes don’t show significant differences when the simulations are compared to the observations. • The removing of the enhanced diffusion parameterization in presence of the TKE turbulent closure submodel doesn’t give positive results, and show limitations in the resolving of gravitational instabilities near the surface • The k-ϵ turbulent closure model utilized in all the GLS experiments, is the best performing closure model among the three considered, with positive results in all the salinity comparison with the in situ observation and in most of the temperature comparisons. • The double mixing parameterization utilized in the k-ϵ closure submodel improves the results of the experiments improving both the temperature and salinity in comparison with the ARGO data.

Experimental analysis of the aerodynamic and mixing performance of a ventilation device

Numerous types of acute respiratory failure are routinely treated using non-invasive ventilatory support (NIV). Its efficacy is well documented: NIV lowers intubation and death rates in various respiratory disorders. It can be delivered by means of face masks or head helmets. Currently the scientific community’s interest about NIV helmets is mostly focused on optimising the mixing between CO2 and clean air and on improving patient comfort. To this end, fluid dynamic analysis plays a particularly important role and a two- pronged approach is frequently employed. While on one hand numerical simulations provide information about the entire flow field and different geometries, they exhibit require huge temporal and computational resources. Experiments on the other hand help to validate simulations and provide results with a much smaller time investment and thus remain at the core of research in fluid dynamics. The aim of this thesis work was to develop a flow bench and to utilise it for the analysis of NIV helmets. A flow test bench and an instrumented mannequin were successfully designed, produced and put into use. Experiments were performed to characterise the helmet interface in terms of pressure drop and flow rate drop over different inlet flow rates and outlet pressure set points. Velocity measurements by means of Particle Image Velocimetry were performed. Pressure drop and flow rate characteristics from experiments were contrasted with CFD data and sufficient agreement was observed between both numerical and experimental results. PIV studies permitted qualitative and quantitative comparisons with numerical simulation data and offered a clear picture of the internal flow behaviour, aiding the identification of coherent flow features.

Investigating stellar mixing processes through the study of the Red-Giant Branch bump

Extra mixing at the borders of convective zones in stellar interiors takes on an important role in the chemical evolution of stars and galaxies through the transport of chemical elements towards the stellar surface: knowing the overshooting mechanism can therefore lead to a better understanding of the observed chemical abundances in stellar photospheres. The comprehension of this phenomenon is quite uncertain and currently object of many studies. In particular, concerning low mass stars, in the past decades several works highlighted a discrepancy between the observed luminosity of the Red-Giant Branch bump and its prediction from simulations, which can be fixed including overshooting at the base of the convective envelope. This work, studying the Red-Giant Branch bump and using it as a diagnostic for extra mixing processes, tries to classify two different types of overshooting, instantaneous and diffusive, using both simulations from stellar models and Globular Clusters’ data. The aim is to understand which one of the two mixing processes is the most suitable in reproducing the observed stellar behaviour and, in case both of them provide reliable results, what are the conditions under which they produce the same effects on the Red-Giant Branch bump luminosity function and are consequently indistinguishable. Finally, possible dependences of overshooting efficiency on stellar parameters, such as chemical composition, are analysed.

Geochemistry Of Acid Mine Drainage From A Coal Mining Area And Processes Controlling Metal Attenuation In Stream Waters, Southern Brazil.

Acid drainage influence on the water and sediment quality was investigated in a coal mining area (southern Brazil). Mine drainage showed pH between 3.2 and 4.6 and elevated concentrations of sulfate, As and metals, of which, Fe, Mn and Zn exceeded the limits for the emission of effluents stated in the Brazilian legislation. Arsenic also exceeded the limit, but only slightly. Groundwater monitoring wells from active mines and tailings piles showed pH interval and chemical concentrations similar to those of mine drainage. However, the river and ground water samples of municipal public water supplies revealed a pH range from 7.2 to 7.5 and low chemical concentrations, although Cd concentration slightly exceeded the limit adopted by Brazilian legislation for groundwater. In general, surface waters showed large pH range (6 to 10.8), and changes caused by acid drainage in the chemical composition of these waters were not very significant. Locally, acid drainage seemed to have dissolved carbonate rocks present in the local stratigraphic sequence, attenuating the dispersion of metals and As. Stream sediments presented anomalies of these elements, which were strongly dependent on the proximity of tailings piles and abandoned mines. We found that precipitation processes in sediments and the dilution of dissolved phases were responsible for the attenuation of the concentrations of the metals and As in the acid drainage and river water mixing zone. In general, a larger influence of mining activities on the chemical composition of the surface waters and sediments was observed when enrichment factors in relation to regional background levels were used.

A plasticidade dos amorfos: fazendo pigmentos brancos com fosfato de alumínio

A new white pigment made out of nano-structured non-crystalline aluminum phosphate was recently launched as an industrial product. Pigment opacifying properties are not intrinsic to aluminum phosphate but they arise as the result of a rare hollow particle nano-structure. This is in turn derived from the core-and-shell structure of amorphous aluminum phosphate precipitated under well-defined conditions. The new pigment is a product of the often neglected chemistry of non-crystalline ionic solids that can probably be a rich source of new successful products. The text describes a short account of the R&D activities, from the initial ideas to the present.

Supercritical CO2 recovery of caffeine from green coffee oil: new experimental solubility data and modeling

The caffeine solubility in supercritical CO2 was studied by assessing the effects of pressure and temperature on the extraction of green coffee oil (GCO). The Peng-Robinson¹ equation of state was used to correlate the solubility of caffeine with a thermodynamic model and two mixing rules were evaluated: the classical mixing rule of van der Waals with two adjustable parameters (PR-VDW) and a density dependent one, proposed by Mohamed and Holder² with two (PR-MH, two parameters adjusted to the attractive term) and three (PR-MH3 two parameters adjusted to the attractive and one to the repulsive term) adjustable parameters. The best results were obtained with the mixing rule of Mohamed and Holder² with three parameters.

Influência da embalagem de polietileno de baixa densidade e da temperatura na conservação do repolho minimamente processado

This research studied the effect of low density polyethylene packaging and storage temperature on the preservation of fresh-cut (minimally processed) cabbage. The cabbages, previously cooled to a temperature of 10 ºC, were selected, washed, cut in four parts (with the central stalk removed), sanitized, cut in strips, rinsed, put in the centrifuge, weighed and stored in plastic packaging of low density polyethylene (70 µm), and then stored in cold chambers at temperatures of 1 and 10 ºC for 20 days. The following aspects were evaluated: carbon dioxide, oxygen and ethylene in the internal atmosphere of the package as well as, pH, titratable acidity, total soluble solids, vitamin C, loss of fresh mass and the total soluble solids/acidity in the fresh-cut cabbage ratio. The experimental design was entirely casual, with three repetitions. The analysis parameters, except for the vitamin C, loss of fresh mass and ethylene, presented significant variation between the temperatures and days of storage. The cabbage stored at a temperature of 1 ºC presented a shelf life of around 15 days, significantly higher than that stored at 10 ºC. At this temperature, on the 8th day of storage, the product was completely decayed, unfit for commercialization or consumption.

Características físicas e mecânicas de misturas de solo, cimento e cinzas de bagaço de cana-de-açúcar

This work was done with the objective of studying some physical and mechanical characteristics of the sugarcane bagasse ash added to a soil-cement mixture, in order to obtain an alternative construction material. The sugarcane bagasse ash pre-treatment included both sieving and grinding, before mixing with soil and cement. Different proportions of cement-ash were tested by determining its standard consistence and its compressive resistance at 7 and 28 days age. The various treatments were subsequently applied to the specimens molded with different soil-cement-ash mixtures which in turns were submitted to compaction, unconfined compression and water absorption laboratory tests. The results showed that it is possible to replace up to 20% of Portland cement by sugarcane bagasse ash without any damage to the mixture's compressive strength.