Ground state properties of neutron-rich Mg isotopes

Studies in regions of the nuclear chart in which the model predictions of properties of nuclei fail can bring a better understanding of the strong interaction in the nuclear medium. To such regions belongs the so called "island of inversion" centered around Ne, Na and Mg isotopes with 20 neutrons in which unexpected ground-state spins, large deformations and dense low-energy spectra appear. This is a strong argument that the magic N = 20 is not a closed shell in this area. In this thesis investigations of isotope shifts of stable 24,25,26Mg, as well as spins and magnetic moments of short-lived 29,31Mg are presented. The successful studies were performed at the ISOLDE facility at CERN using collinear laser and beta-NMR spectroscopy techniques. The isotopes were investigated as single-charged ions in the 280-nm transition from the atomic ground state 2S1/2 to one of the two lowest excited states 2P1/2,3/2 using continuous wave laser beams. The isotope-shift measurements with fluorescence detection for the three stable isotopes show that it is feasible to perform the same studies on radioactive Mg isotopes up to the "island of inversion". This will allow to determine differences in the mean charge square radii and interpret them in terms of deformation. The high detection efficiency for beta particles and optical pumping close to saturation allowed to obtain very good beta-asymmetry signals for 29Mg and 31Mg with half-lives around 1 s and production yields about 10^5 ions/s. For this purpose the ions were implanted into a host crystal lattice. Such detection of the atomic resonances revealed their hyperfine structure, which gives the sign and a first estimate of the value of the magnetic moment. The nuclear magnetic resonance gave also their g-factors with the relative uncertainty smaller than 0.2 %. By combining the two techniques also the nuclear spin of both isotopes could be unambiguously determined. The measured spins and g-factors show that 29Mg with 17 neutrons lies outside the "island of inversion". On the other hand, 31Mg with 19 neutrons has an unexpected ground-state spin which can be explained only by promoting at least two neutrons across the N = 20 shell gap. This places the above nucleus inside the "island". However, modern shell-model approaches cannot predict this level as the ground state but only as one of the low-lying states, even though they reproduce very well the experimental g-factor. This indicates that modifications to the available interactions are required. Future measurements include isotope shift measurements on radioactive Mg isotopes and beta-NMR studies on 33Mg.

Virtual Compton scattering in baryon chiral perturbation theory

This thesis is concerned with the calculation of virtual Compton scattering (VCS) in manifestly Lorentz-invariant baryon chiral perturbation theory to fourth order in the momentum and quark-mass expansion. In the one-photon-exchange approximation, the VCS process is experimentally accessible in photon electro-production and has been measured at the MAMI facility in Mainz, at MIT-Bates, and at Jefferson Lab. Through VCS one gains new information on the nucleon structure beyond its static properties, such as charge, magnetic moments, or form factors. The nucleon response to an incident electromagnetic field is parameterized in terms of 2 spin-independent (scalar) and 4 spin-dependent (vector) generalized polarizabilities (GP). In analogy to classical electrodynamics the two scalar GPs represent the induced electric and magnetic dipole polarizability of a medium. For the vector GPs, a classical interpretation is less straightforward. They are derived from a multipole expansion of the VCS amplitude. This thesis describes the first calculation of all GPs within the framework of manifestly Lorentz-invariant baryon chiral perturbation theory. Because of the comparatively large number of diagrams - 100 one-loop diagrams need to be calculated - several computer programs were developed dealing with different aspects of Feynman diagram calculations. One can distinguish between two areas of development, the first concerning the algebraic manipulations of large expressions, and the second dealing with numerical instabilities in the calculation of one-loop integrals. In this thesis we describe our approach using Mathematica and FORM for algebraic tasks, and C for the numerical evaluations. We use our results for real Compton scattering to fix the two unknown low-energy constants emerging at fourth order. Furthermore, we present the results for the differential cross sections and the generalized polarizabilities of VCS off the proton.

Mutually catalytic branching at infinite rate

The purpose of this doctoral thesis is to prove existence for a mutually catalytic random walk with infinite branching rate on countably many sites. The process is defined as a weak limit of an approximating family of processes. An approximating process is constructed by adding jumps to a deterministic migration on an equidistant time grid. As law of jumps we need to choose the invariant probability measure of the mutually catalytic random walk with a finite branching rate in the recurrent regime. This model was introduced by Dawson and Perkins (1998) and this thesis relies heavily on their work. Due to the properties of this invariant distribution, which is in fact the exit distribution of planar Brownian motion from the first quadrant, it is possible to establish a martingale problem for the weak limit of any convergent sequence of approximating processes. We can prove a duality relation for the solution to the mentioned martingale problem, which goes back to Mytnik (1996) in the case of finite rate branching, and this duality gives rise to weak uniqueness for the solution to the martingale problem. Using standard arguments we can show that this solution is in fact a Feller process and it has the strong Markov property. For the case of only one site we prove that the model we have constructed is the limit of finite rate mutually catalytic branching processes as the branching rate approaches infinity. Therefore, it seems naturalto refer to the above model as an infinite rate branching process. However, a result for convergence on infinitely many sites remains open.

Laser systems for collinear spectroscopy and the charge radius of 12 Be

Die kollineare Laserspektroskopie hat sich in den vergangenen drei Jahrzehnten zur Bestimmung der Kernladungsradien mittelschwerer und schwerer kurzlebiger Atomkerne in ausgezeichneter Weise bewährt. Auf die Isotope sehr leichter Elemente konnte sie allerdings erst kürzlich erweitert werden. Dieser Bereich der Nuklidkarte ist von besonderem Interesse, denn die ersten ab-initio Modelle der Kernphysik, die den Aufbau eines Atomkerns basierend auf individuellen Nukleonen und realistischenWechselwirkungspotentialen beschreiben, sind gegenwärtig nur für die leichtesten Elemente anwendbar. Außerdem existiertrnin dieser Region eine besonders exotische Form von Atomkernen, die sogenanntenrnHalokerne. Die Isotopenkette der Berylliumisotope zeichnet sich durch das Auftreten des Ein-Neutronen Halokerns 11Be und des Zwei- oder Vier-Neutronen-Halos 14Be aus. Dem Isotop 12Be kommt durch seine Position zwischen diesen beiden Exoten und den im Schalenmodell erwarteten magischen Schalenabschluss N = 8 eine besondere Bedeutung zu.rnIm Rahmen dieser Arbeit wurden mehrere frequenzstabilisierte Lasersysteme für die kollineare Laserspektroskopie aufgebaut. An TRIGA-SPEC stehen nun unter anderem ein frequenzverdoppeltes Diodenlasersystem mit Trapezverstärker und frequenzkammstabilisierter Titan-Saphirlaser mit Frequenzverdopplungsstufe für die Spektroskopie an refraktären Elementen oberhalb von Molybdän zur Verfügung, die für erste Testexperimente eingesetzt wurden. Außerdem wurde die effiziente Frequenzvervierfachung eines Titan-Saphirlasers demonstriert. An ISOLDE/CERN wurde ein frequenzkammstabilisierter und ein jodstabilisierter Farbstofflaser installiert und für die Laserspektroskopie an 9,10,11,12Be eingesetzt. Durch das verbesserte Lasersystem und den Einsatz eines verzögerten Koinzidenznachweises für Photonen und Ionen gelang es die Empfindlichkeitrnder Berylliumspektroskopie um mehr als zwei Größenordnungen zu steigern und damit die früheren Messungen an 7−11Be erstmals auf das Isotop 12Be auszuweiten. Außerdem wurde die Genauigkeit der absoluten Übergangsfrequenzen und der Isotopieverschiebungen der Isotope 9,10,11Be signifikant verbessert.rnDurch den Vergleich mit Ergebnissen des Fermionic Molecular Dynamics Modells kann der Trend der Ladungsradien der leichteren Isotope durch die ausgeprägte Clusterstruktur der Berylliumkerne erklärt werden. Für 12Be wird ersichtlich, dass der Grundzustand durch eine (sd)2 Konfiguration statt der vom Schalenmodell erwarteten p2 Konfiguration dominiert wird. Dies ist ein klares Indiz für das bereits zuvor beobachtete Verschwinden des N = 8 Schalenabschlusses bei 12Be.

Kontrolle der Grenzflächeneigenschaften anorganischer Nanopartikel mittels amphiphiler Polymere

Im Rahmen dieser Arbeit wurden amphiphile Co- und Terpolymere verwendet, um die Grenzflächeneigenschaften anorganischer Nanopartikel zu kontrollieren. Es wurde eine effiziente und vielseitige Methode entwickelt, mit der in-situ hydrophobierte, formanisotrope ZnO-, CdS- und Au-Nanopartikel sowie poröse TiO2-Nanopartikel hergestellt werden konnten. Diese Technik basierte auf der Fällung anorganischer Nanopartikel in einer inversen Emulsion mittels kombinierten Einsatzes zweier maßgeschneiderter amphiphiler Polymere. Ein Copolymer ermöglichte sowohl die Stabilisierung der Emulsion als auch die Hydrophobierung der Partikel, und ein weiteres Struktur-dirigierendes Agens (SDA) kontrollierte den Kristallisationsprozess. Infolge ihrer Form zeigten die Nanopartikel von sphärischen Teilchen abweichende Lagen der Oberflächenplasmonenresonanz und der Bandlücke. Aufgrund der hervorragenden Hydrophobierung dieser Kolloide mittels amphiphiler Copolymere konnten diese homogen in polymere Materialien eingearbeitet werden. Dies erlaubte es die speziellen Eigenschaften von nicht-sphärischen Kolloiden auf Nanokompositmaterialien zu übertragen. Darüber hinaus wurden amphipolare Copolymere genutzt, um superhydrophobe Oberflächen zu generieren. Hierzu wurden Filme bestehend aus rauen SiO2-Nanopartikeln mit fluorierten Emulgatoren beschichtet. In einem dritten Schwerpunkt dieser Arbeit wurden amphiphile Co- und Terpolymere verwendet, um anorganische Nanopartikel zu hydrophilieren. Durch Variation der Emulgatorzusammensetzung konnten die Ladung und Ladungsdichte auf der Partikeloberfläche gezielt gesteuert werden. Darüber hinaus konnte die Partikelhülle zusätzlich mit Farbstoffmolekülen funktionalisiert werden, was den erfolgreichen Einsatz der Kolloide in Zellaufnahmeexperimenten ermöglichte.

Spins, moments and radii of cd isotopes

The complex nature of the nucleon-nucleon interaction and the wide range of systems covered by the roughly 3000 known nuclides leads to a multitude of effects observed in nuclear structure. Among the most prominent ones is the occurence of shell closures at so-called ”magic numbers”, which are explained by the nuclear shell model. Although the shell model already is on duty for several decades, it is still constantly extended and improved. For this process of extension, fine adjustment and verification, it is important to have experimental data of nuclear properties, especially at crucial points like in the vicinity of shell closures. This is the motivation for the work performed in this thesis: the measurement and analysis of nuclear ground state properties of the isotopic chain of 100−130Cd by collinear laser spectroscopy.rnrnThe experiment was conducted at ISOLDE/CERN using the collinear laser spectroscopy apparatus COLLAPS. This experiment is the continuation of a run on neutral atomic cadmium from A = 106 to A = 126 and extends the measured isotopes to even more exotic species. The required gain in sensitivity is mainly achieved by using a radiofrequency cooler and buncher for background reduction and by using the strong 5s 2S1/2 → 5p 2P3/2 transition in singly ionized Cd. The latter requires a continuous wave laser system with a wavelength of 214.6 nm, which has been developed during this thesis. Fourth harmonic generation of an infrared titanium sapphire laser is achieved by two subsequent cavity-enhanced second harmonic generations, leading to the production of deep-UV laser light up to about 100 mW.rnrnThe acquired data of the Z = 48 Cd isotopes, having one proton pair less than the Z = 50 shell closure at tin, covers the isotopes from N = 52 up to N = 82 and therefore almost the complete region between the neutron shell closures N = 50 and N = 82. The isotope shifts and the hyperfine structures of these isotopes have been recorded and the magnetic dipole moments, the electric quadrupole moments, spins and changes in mean square charge radii are extracted. The obtained data reveal among other features an extremely linear behaviour of the quadrupole moments of the I = 11/2− isomeric states and a parabolic development in differences in mean square nuclear charge radii between ground and isomeric state. The development of charge radii between the shell closures is smooth, exposes a regular odd-even staggering and can be described and interpreted in the model of Zamick and Thalmi.

Bio-inspired polymer-supported nitrido molybdenum(VI) complexes for ammonia synthesis − reactivity towards protons and electrons : EPR investigations on paramagnetic molybdenum(V) and copper(II) complexes

Die biologische Stickstofffixierung durch Molybdän-haltige Nitrogenasen sowie die Erforschung des zugrundeliegenden komplexen Mechanismus (N2-Aktivierung an Metall-Zentren, 6-fache Protonierung und Reduktion, N–N Bindungsspaltung unter Bildung von Ammoniak) ist von erheblichem Interesse. Insbesondere Molybdän-Komplexe wurden bereits erfolgreich als Modellverbindungen für die Untersuchung elementarer Einzelschritte der N2-Aktivierung eingesetzt. Durch die Verwendung von Triamidoamin-Liganden ist es Schrock et al. sogar gelungen mehrere Katalysezyklen zu durchlaufen und einen Mechanismus zu formulieren. Trotz der sterisch anspruchsvollen Substituenten in den Schrock-Komplexen ist die Umsatzrate dieses homogenen Katalysators, aufgrund Komplex-Deaktivierung infolge intermolekularer Reaktionen wie Dimerisierung und Disproportionierung, limitiert. In der vorliegenden Arbeit wurden einige dieser Herausforderungen angegangen und die aktiven Spezies auf einer Festphase immobilisiert, um intermolekulare Reaktionen durch räumliche Isolierung der Komplexe zu unterdrücken.rnEin Polymer-verankertes Analogon des Schrock Nitrido-Molybdän(VI)-Komplexes wurde auf einem neuen Reaktionsweg synthetisiert. Dieser beinhaltet nur einen einzigen Reaktionsschritt, um die funktionelle Gruppe „MoN“ einzuführen. Protonierung des immobilisierten Nitrido-Molybdän(VI)-Komplexes LMoVIN (L = Polymer-verankerter Triamidoamin-Ligand) mit 2,6-Lutidinium liefert den entsprechenden Imido-Molybdän(VI)-Komplex. Durch anschließende Ein-Elektronen-Reduktion mit Cobaltocen wird der Polymer-angebundene Imido-Molybdän(V)-Komplex erhalten, bewiesen durch EPR-Spektroskopie (g1,2,3 = 1.989, 1.929, 1.902). Durch die Immobilisierung und die effektive räumliche Separation der Reaktionszentren auf der Festphase werden bimolekulare Nebenreaktionen, die oft in homogenen Systemen auftreten, unterdrückt. Dies ermöglicht zum ersten Mal die Darstellung des Imido-Molybdän(V)-Intermediates des Schrock-Zyklus.rnEPR-Spektren des als Spin-Label eingeführten immobilisierten Nitrato-Kupfer(II)-Komplexes wurden unter verschiedenen Bedingungen (Lösungsmittel, Temperatur) aufgenommen, wobei sich eine starke Abhängigkeit zwischen der Zugänglichkeit und Reaktivität der immobilisierten Reaktionszentren und der Art des Lösungsmittels zeigte. Somit wurde die Reaktivität von LMoVIN gegenüber Protonen und Elektronen, welches zur Bildung von NH3 führt, unter Verwendung verschiedener Lösungsmittel untersucht und optimiert. Innerhalb des kugelförmigen Polymers verläuft die Protonierung und Reduktion von LMoVIN stufenweise. Aktive Zentren, die sich an der „äußeren Schale“ des Polymers befinden, sind gut zugänglich und reagieren schnell nach H+/e− Zugabe. Aktive Zentren im „Inneren des Polymers“ hingegen sind schlechter zugänglich und zeigen langsame diffusions-kontrollierte Reaktionen, wobei drei H+/e− Schritte gefolgt von einer Ligandenaustausch-Reaktion erforderlich sind, um NH3 freizusetzen: LMoVIN  LMoVNH  LMoIVNH2  LMoIIINH3 und anschließender Ligandenaustausch führt zur Freisetzung von NH3.rnIn einem weiteren Projekt wurde der Bis(ddpd)-Kupfer(II)-Komplex EPR-spektroskopisch in Hinblick auf Jahn−Teller-Verzerrung und -Dynamik untersucht. Dabei wurden die EPR-Spektren bei variabler Temperatur (70−293 K) aufgenommen. Im Festkörperspektrum bei T < 100 K erscheint der Kupfer(II)-Komplex als gestreckter Oktaeder, wohingegen das EPR-Spektrum bei höheren Temperaturen g-Werte aufzeigt, die einer pseudo-gestauchten oktaedrischen Kupfer(II)-Spezies zuzuordnen sind. Diese Tatsache wird einem intramolekularen dynamischen Jahn−Teller Phänomen zugeschrieben, welcher bei 100 K eingefroren wird.

Identification of adequate neurally adjusted ventilatory assist (NAVA) during systematic increases in the NAVA level

Neurally adjusted ventilatory assist (NAVA) delivers airway pressure (P(aw)) in proportion to the electrical activity of the diaphragm (EAdi) using an adjustable proportionality constant (NAVA level, cm·H(2)O/μV). During systematic increases in the NAVA level, feedback-controlled down-regulation of the EAdi results in a characteristic two-phased response in P(aw) and tidal volume (Vt). The transition from the 1st to the 2nd response phase allows identification of adequate unloading of the respiratory muscles with NAVA (NAVA(AL)). We aimed to develop and validate a mathematical algorithm to identify NAVA(AL). P(aw), Vt, and EAdi were recorded while systematically increasing the NAVA level in 19 adult patients. In a multistep approach, inspiratory P(aw) peaks were first identified by dividing the EAdi into inspiratory portions using Gaussian mixture modeling. Two polynomials were then fitted onto the curves of both P(aw) peaks and Vt. The beginning of the P(aw) and Vt plateaus, and thus NAVA(AL), was identified at the minimum of squared polynomial derivative and polynomial fitting errors. A graphical user interface was developed in the Matlab computing environment. Median NAVA(AL) visually estimated by 18 independent physicians was 2.7 (range 0.4 to 5.8) cm·H(2)O/μV and identified by our model was 2.6 (range 0.6 to 5.0) cm·H(2)O/μV. NAVA(AL) identified by our model was below the range of visually estimated NAVA(AL) in two instances and was above in one instance. We conclude that our model identifies NAVA(AL) in most instances with acceptable accuracy for application in clinical routine and research.

Magnetization exchange observed in human skeletal muscle by non-water-suppressed proton magnetic resonance spectroscopy

Many metabolites in the proton magnetic resonance spectrum undergo magnetization exchange with water, such as those in the downfield region (6.0-8.5 ppm) and the upfield peaks of creatine, which can be measured to reveal additional information about the molecular environment. In addition, these resonances are attenuated by conventional water suppression techniques complicating detection and quantification. To characterize these metabolites in human skeletal muscle in vivo at 3 T, metabolite cycled non-water-suppressed spectroscopy was used to conduct a water inversion transfer experiment in both the soleus and tibialis anterior muscles. Resulting median exchange-independent T(1) times for the creatine methylene resonances were 1.26 and 1.15 s, and for the methyl resonances were 1.57 and 1.74 s, for soleus and tibialis anterior muscles, respectively. Magnetization transfer rates from water to the creatine methylene resonances were 0.56 and 0.28 s(-1) , and for the methyl resonances were 0.39 and 0.30 s(-1) , with the soleus exhibiting faster transfer rates for both resonances, allowing speculation about possible influences of either muscle fibre orientation or muscle composition on the magnetization transfer process. These water magnetization transfer rates observed without water suppression are in good agreement with earlier reports that used either postexcitation water suppression in rats, or short CHESS sequences in human brain and skeletal muscle.

A prediction model for assessing residential radon concentration in Switzerland

Indoor radon is regularly measured in Switzerland. However, a nationwide model to predict residential radon levels has not been developed. The aim of this study was to develop a prediction model to assess indoor radon concentrations in Switzerland. The model was based on 44,631 measurements from the nationwide Swiss radon database collected between 1994 and 2004. Of these, 80% randomly selected measurements were used for model development and the remaining 20% for an independent model validation. A multivariable log-linear regression model was fitted and relevant predictors selected according to evidence from the literature, the adjusted R², the Akaike's information criterion (AIC), and the Bayesian information criterion (BIC). The prediction model was evaluated by calculating Spearman rank correlation between measured and predicted values. Additionally, the predicted values were categorised into three categories (50th, 50th-90th and 90th percentile) and compared with measured categories using a weighted Kappa statistic. The most relevant predictors for indoor radon levels were tectonic units and year of construction of the building, followed by soil texture, degree of urbanisation, floor of the building where the measurement was taken and housing type (P-values <0.001 for all). Mean predicted radon values (geometric mean) were 66 Bq/m³ (interquartile range 40-111 Bq/m³) in the lowest exposure category, 126 Bq/m³ (69-215 Bq/m³) in the medium category, and 219 Bq/m³ (108-427 Bq/m³) in the highest category. Spearman correlation between predictions and measurements was 0.45 (95%-CI: 0.44; 0.46) for the development dataset and 0.44 (95%-CI: 0.42; 0.46) for the validation dataset. Kappa coefficients were 0.31 for the development and 0.30 for the validation dataset, respectively. The model explained 20% overall variability (adjusted R²). In conclusion, this residential radon prediction model, based on a large number of measurements, was demonstrated to be robust through validation with an independent dataset. The model is appropriate for predicting radon level exposure of the Swiss population in epidemiological research. Nevertheless, some exposure misclassification and regression to the mean is unavoidable and should be taken into account in future applications of the model.

Protective embolization of the gastroduodenal artery with a one-HydroCoil technique in radioembolization procedures

Protective occlusion of the gastroduodenal artery (GDA) is required to avoid severe adverse effects and complications in radioembolization procedures. Because of the expandable features of HydroCoils, our goal was to occlude the GDA with only one HydroCoil to provide particle reflux protection.

Investigating the consistency between proxy-based reconstructions and climate models using data assimilation: a mid-Holocene case study

The mid-Holocene (6 kyr BP; thousand years before present) is a key period to study the consistency between model results and proxy-based reconstruction data as it corresponds to a standard test for models and a reasonable number of proxy-based records is available. Taking advantage of this relatively large amount of information, we have compared a compilation of 50 air and sea surface temperature reconstructions with the results of three simulations performed with general circulation models and one carried out with LOVECLIM, a model of intermediate complexity. The conclusions derived from this analysis confirm that models and data agree on the large-scale spatial pattern but the models underestimate the magnitude of some observed changes and that large discrepancies are observed at the local scale. To further investigate the origin of those inconsistencies, we have constrained LOVECLIM to follow the signal recorded by the proxies selected in the compilation using a data-assimilation method based on a particle filter. In one simulation, all the 50 proxy-based records are used while in the other two only the continental or oceanic proxy-based records constrain the model results. As expected, data assimilation leads to improving the consistency between model results and the reconstructions. In particular, this is achieved in a robust way in all the experiments through a strengthening of the westerlies at midlatitude that warms up northern Europe. Furthermore, the comparison of the LOVECLIM simulations with and without data assimilation has also objectively identified 16 proxy-based paleoclimate records whose reconstructed signal is either incompatible with the signal recorded by some other proxy-based records or with model physics.

Efficient Unit Root Tests of real Exchange Rates in the Post-Bretton Woods Era

We apply the efficient unit-roots tests of Elliott, Rothenberg, and Stock (1996), and Elliott (1998) to twenty-one real exchange rates using monthly data of the G-7 countries from the post-Bretton Woods floating exchange rate period. Our results indicate that, for eighteen out of the twenty-one real exchange rates, the null hypothesis of a unit root can be rejected at the 10% significance level or better using the Elliot et al (1996) DF-GLS test. The unit-root null hypothesis is also rejected for one additional real exchange rate when we allow for one endogenously determined break in the time series of the real exchange rate as in Perron (1997). In all, we find favorable evidence to support long-run purchasing power parity in nineteen out of twenty-one real exchange rates. Second, we find no strong evidence to suggest that the use of non-U.S. dollar-based real exchange rates tend to produce more favorable result for long-run PPP than the use of U.S. dollar-based real exchange rates as Lothian (1998) has concluded.

Differences into HT and HTO concentrations in air into the Western Mediterranean Basin and Continental Europe and Safety Related Issues.

Real time Tritium concentrations in air in two chemical forms, HT and HTO, coming from an ITER-like fusion reactor as source were coupled the European Centre Medium Range Weather Forecast (ECMWF) numerical model with the Lagrangian Atmospheric-particle dispersion model FLEXPART. This tool was analyzed in nominal tritium discharge operational reference and selected incidental conditions affecting the Western Mediterranean Basin during 45 days during summer 2010 together with surface “wind observations” or weather data based in real hourly observations of wind direction and velocity providing a real approximation of the tritium behavior after the release to the atmosphere from a fusion reactor. From comparison with NORMTRI - a code using climatologically sequences as input - over the same area, the real time results have demonstrated an apparent overestimation of the corresponding climatologically sequence of Tritium concentrations in air outputs, at several distances from the reactor. For this purpose two development patterns were established. The first one was following a cyclonic circulation over the Mediterranean Sea and the second one was based on the plume delivered over the Interior of the Iberian Peninsula and Continental Europe by another stabilized circulation corresponding to a High Pressure System. One of the important remaining activities defined then, was the qualification tool. In order to validate the model of ECMWF/FLEXPART we have developed of a new complete data base of tritium concentrations for the months from November 2010 to March 2011 and defined a new set of four patterns of HT transport in air, in each case using real boundary conditions: stationary to the North, stationary to the South, fast and very fast displacement. Finally the differences corresponding to those four early patterns (each one in assessments 1 and 2) has been analyzed in terms of the tuning of safety related issues and taking into account the primary phase o- - f tritium modeling, from its discharge to the atmosphere to the deposition on the ground, will affect to the complete tritium environmental pathway altering the chronic dose by absorption, reemission and ingestion both from elemental tritium, HT and from the oxide of tritium, HTO

Análisis y modelización de la dinámica emergente durante el proceso de difusión de información en las redes sociales de internet

Durante la actividad diaria, la sociedad actual interactúa constantemente por medio de dispositivos electrónicos y servicios de telecomunicaciones, tales como el teléfono, correo electrónico, transacciones bancarias o redes sociales de Internet. Sin saberlo, masivamente dejamos rastros de nuestra actividad en las bases de datos de empresas proveedoras de servicios. Estas nuevas fuentes de datos tienen las dimensiones necesarias para que se puedan observar patrones de comportamiento humano a grandes escalas. Como resultado, ha surgido una reciente explosión sin precedentes de estudios de sistemas sociales, dirigidos por el análisis de datos y procesos computacionales. En esta tesis desarrollamos métodos computacionales y matemáticos para analizar sistemas sociales por medio del estudio combinado de datos derivados de la actividad humana y la teoría de redes complejas. Nuestro objetivo es caracterizar y entender los sistemas emergentes de interacciones sociales en los nuevos espacios tecnológicos, tales como la red social Twitter y la telefonía móvil. Analizamos los sistemas por medio de la construcción de redes complejas y series temporales, estudiando su estructura, funcionamiento y evolución en el tiempo. También, investigamos la naturaleza de los patrones observados por medio de los mecanismos que rigen las interacciones entre individuos, así como medimos el impacto de eventos críticos en el comportamiento del sistema. Para ello, hemos propuesto modelos que explican las estructuras globales y la dinámica emergente con que fluye la información en el sistema. Para los estudios de la red social Twitter, hemos basado nuestros análisis en conversaciones puntuales, tales como protestas políticas, grandes acontecimientos o procesos electorales. A partir de los mensajes de las conversaciones, identificamos a los usuarios que participan y construimos redes de interacciones entre los mismos. Específicamente, construimos una red para representar quién recibe los mensajes de quién y otra red para representar quién propaga los mensajes de quién. En general, hemos encontrado que estas estructuras tienen propiedades complejas, tales como crecimiento explosivo y distribuciones de grado libres de escala. En base a la topología de estas redes, hemos indentificado tres tipos de usuarios que determinan el flujo de información según su actividad e influencia. Para medir la influencia de los usuarios en las conversaciones, hemos introducido una nueva medida llamada eficiencia de usuario. La eficiencia se define como el número de retransmisiones obtenidas por mensaje enviado, y mide los efectos que tienen los esfuerzos individuales sobre la reacción colectiva. Hemos observado que la distribución de esta propiedad es ubicua en varias conversaciones de Twitter, sin importar sus dimensiones ni contextos. Con lo cual, sugerimos que existe universalidad en la relación entre esfuerzos individuales y reacciones colectivas en Twitter. Para explicar los factores que determinan la emergencia de la distribución de eficiencia, hemos desarrollado un modelo computacional que simula la propagación de mensajes en la red social de Twitter, basado en el mecanismo de cascadas independientes. Este modelo nos permite medir el efecto que tienen sobre la distribución de eficiencia, tanto la topología de la red social subyacente, como la forma en que los usuarios envían mensajes. Los resultados indican que la emergencia de un grupo selecto de usuarios altamente eficientes depende de la heterogeneidad de la red subyacente y no del comportamiento individual. Por otro lado, hemos desarrollado técnicas para inferir el grado de polarización política en redes sociales. Proponemos una metodología para estimar opiniones en redes sociales y medir el grado de polarización en las opiniones obtenidas. Hemos diseñado un modelo donde estudiamos el efecto que tiene la opinión de un pequeño grupo de usuarios influyentes, llamado élite, sobre las opiniones de la mayoría de usuarios. El modelo da como resultado una distribución de opiniones sobre la cual medimos el grado de polarización. Aplicamos nuestra metodología para medir la polarización en redes de difusión de mensajes, durante una conversación en Twitter de una sociedad políticamente polarizada. Los resultados obtenidos presentan una alta correspondencia con los datos offline. Con este estudio, hemos demostrado que la metodología propuesta es capaz de determinar diferentes grados de polarización dependiendo de la estructura de la red. Finalmente, hemos estudiado el comportamiento humano a partir de datos de telefonía móvil. Por una parte, hemos caracterizado el impacto que tienen desastres naturales, como innundaciones, sobre el comportamiento colectivo. Encontramos que los patrones de comunicación se alteran de forma abrupta en las áreas afectadas por la catástofre. Con lo cual, demostramos que se podría medir el impacto en la región casi en tiempo real y sin necesidad de desplegar esfuerzos en el terreno. Por otra parte, hemos estudiado los patrones de actividad y movilidad humana para caracterizar las interacciones entre regiones de un país en desarrollo. Encontramos que las redes de llamadas y trayectorias humanas tienen estructuras de comunidades asociadas a regiones y centros urbanos. En resumen, hemos mostrado que es posible entender procesos sociales complejos por medio del análisis de datos de actividad humana y la teoría de redes complejas. A lo largo de la tesis, hemos comprobado que fenómenos sociales como la influencia, polarización política o reacción a eventos críticos quedan reflejados en los patrones estructurales y dinámicos que presentan la redes construidas a partir de datos de conversaciones en redes sociales de Internet o telefonía móvil. ABSTRACT During daily routines, we are constantly interacting with electronic devices and telecommunication services. Unconsciously, we are massively leaving traces of our activity in the service providers’ databases. These new data sources have the dimensions required to enable the observation of human behavioral patterns at large scales. As a result, there has been an unprecedented explosion of data-driven social research. In this thesis, we develop computational and mathematical methods to analyze social systems by means of the combined study of human activity data and the theory of complex networks. Our goal is to characterize and understand the emergent systems from human interactions on the new technological spaces, such as the online social network Twitter and mobile phones. We analyze systems by means of the construction of complex networks and temporal series, studying their structure, functioning and temporal evolution. We also investigate on the nature of the observed patterns, by means of the mechanisms that rule the interactions among individuals, as well as on the impact of critical events on the system’s behavior. For this purpose, we have proposed models that explain the global structures and the emergent dynamics of information flow in the system. In the studies of the online social network Twitter, we have based our analysis on specific conversations, such as political protests, important announcements and electoral processes. From the messages related to the conversations, we identify the participant users and build networks of interactions with them. We specifically build one network to represent whoreceives- whose-messages and another to represent who-propagates-whose-messages. In general, we have found that these structures have complex properties, such as explosive growth and scale-free degree distributions. Based on the topological properties of these networks, we have identified three types of user behavior that determine the information flow dynamics due to their influence. In order to measure the users’ influence on the conversations, we have introduced a new measure called user efficiency. It is defined as the number of retransmissions obtained by message posted, and it measures the effects of the individual activity on the collective reacixtions. We have observed that the probability distribution of this property is ubiquitous across several Twitter conversation, regardlessly of their dimension or social context. Therefore, we suggest that there is a universal behavior in the relationship between individual efforts and collective reactions on Twitter. In order to explain the different factors that determine the user efficiency distribution, we have developed a computational model to simulate the diffusion of messages on Twitter, based on the mechanism of independent cascades. This model, allows us to measure the impact on the emergent efficiency distribution of the underlying network topology, as well as the way that users post messages. The results indicate that the emergence of an exclusive group of highly efficient users depends upon the heterogeneity of the underlying network instead of the individual behavior. Moreover, we have also developed techniques to infer the degree of polarization in social networks. We propose a methodology to estimate opinions in social networks and to measure the degree of polarization in the obtained opinions. We have designed a model to study the effects of the opinions of a small group of influential users, called elite, on the opinions of the majority of users. The model results in an opinions distribution to which we measure the degree of polarization. We apply our methodology to measure the polarization on graphs from the messages diffusion process, during a conversation on Twitter from a polarized society. The results are in very good agreement with offline and contextual data. With this study, we have shown that our methodology is capable of detecting several degrees of polarization depending on the structure of the networks. Finally, we have also inferred the human behavior from mobile phones’ data. On the one hand, we have characterized the impact of natural disasters, like flooding, on the collective behavior. We found that the communication patterns are abruptly altered in the areas affected by the catastrophe. Therefore, we demonstrate that we could measure the impact of the disaster on the region, almost in real-time and without needing to deploy further efforts. On the other hand, we have studied human activity and mobility patterns in order to characterize regional interactions on a developing country. We found that the calls and trajectories networks present community structure associated to regional and urban areas. In summary, we have shown that it is possible to understand complex social processes by means of analyzing human activity data and the theory of complex networks. Along the thesis, we have demonstrated that social phenomena, like influence, polarization and reaction to critical events, are reflected in the structural and dynamical patterns of the networks constructed from data regarding conversations on online social networks and mobile phones.