Today, the application of particle beams in cancer therapy is a well-established strategy and its combination with surgery and chemotherapy is becoming an increasingly reliable approach for some several clinical cases (e.g. skull base tumors). Currently, protons and 12C ions are used for patients’ treatment, due to their characteristic depth-dose deposition profile featuring a pronounced peak (the Bragg Peak) at the end of range. Clinical energies typically span between 60 and 250 MeV for protons and up to 400 MeV/u for 12C ions, in order to deliver treatments to various disease sites. Interactions between the primary beam and the patient’s body always occur during treatment, changing the primary radiation composition, energy and direction and thus affecting its depth dose and lateral profile. In carbon therapy, both projectile and target fragments can be generated during a treatment: the former are characterized by a kinetic energy spectrum peaked at the same energy of the primary beam and are mostly emitted in the forward direction; the latter are emitted with a much lower energy because they are produced from the target, which is at rest before the collision, and they are generated isotropically in the target frame. Moreover, the interaction of carbon ions with the patient's body is currently modeled in the treatment planning on the basis of experimental data measured in water. For all other biological materials, the contribution of nuclear interactions is taken into account by rescaling the values measured in water with a density factor. This approximation neglects the influence of the elemental composition, which might become relevant in cases where the material encountered by the beam significantly differs from water (e.g. bone or lung tissues) and result in a non-uniform and incorrect dose profile. Thus, experimental data with target different from water are clearly needed in order to correctly evaluate the contribution of all biological elements inside the human body. Treatments with protons can only generate target fragments, leading to the production of low-energy and therefore short-range fragments. Heavy secondary fragments will have a higher biological effectiveness than to protons, thus affecting the proton Relative Biological Effectiveness (RBE, i.e. the ratio of photon to charged particles dose necessary to achieve the same biological effect), nowadays assumed as a constant value (RBE=1.1) in clinical practice. Another aspect related to nuclear interactions is the overlap between radiotherapy and space radiation protection. The group of particle species either currently available in radiotherapy or considered promising alternative candidates (i.e. Helium, Lithium and Oxygen) are among the most abundant in the space radiation environment. Moreover, the proton energy range used in radiotherapy is similar to that of Solar Particle Events (SPEs) and Van Allen trapped protons. The radiation environment in space can lead to serious health risks for astronauts, especially in long duration and far from Earth space missions (like human explorations to Mars). Protection against space radiation are of paramount importance for preserving the astronauts’ life. Today, the only possible countermeasure is passive shielding. Nuclear fragmentation processes can occur inside the spaceship hull, causing the production of lighter and highly penetrating radiation that must be considered when a shielding is designed. Therefore, experimental data for beam and targets combinations relevant in space radiation applications must be collected for characterizing the interaction of mixed generated radiation field and assess the radiation-induced health risk. Despite the many fundamental open issues in particle therapy and space radiation protection fields, such the ones mentioned above, the current lack of experimental fragmentation cross section data in their energy range of interest is undeniable. Thus, accurate measurements for different ions species with energies up to 1000 MeV/u would be of great importance in order to further optimize particles treatments and improve the shielding design of spaceship. Moreover, additional experimental data would be of great importance for benchmarking Monte Carlo codes, which are extensively used by the scientific communities in both research fields. In fact, the available transport codes suffer from many uncertainties and they need to be verified with reliable experimental data. Due to high energy and long range of projectile fragments, the standard approach for their identification is collect data from several detector types, usually two plastic scintillators coupled with a Barium Fluoride or LYSO crystal, placed both upstream or downstream the target, providing information about the charge, energy loss, the residual kinetic energy and the time of flight of the emitted fragments. This experimental setup allows the identification of particle species in terms of charge, isotope, emission angle and kinetic energy and it has been widely exploited to perform several fragmentation measurements, both in particle therapy and space application fields. An example is the ROSSINI (RadiatiOn Shielding by ISRU and/or INnovative materIals for EVA, Vehicle and Habitat) project financed by the European Space Agency (ESA) to select innovative shielding materials and provide recommendations on space radioprotection for different mission scenarios. However, such standard approach is not useful for the characterization of target fragments. In fact, because of their low energy and short range, a much more complex setup and finer experimental strategies are required for their detection. The FOOT (FragmentatiOn Of Target) experiment has been designed to measure fragment production cross sections with ~5% uncertainty. Target fragmentation induced by 50-250 MeV proton beams will be studied taking advantage of an inverse kinematic approach. Specifically, O, C and He beams impinging on different targets (e.g., C, C2H4) will be employed, thus boosting the fragments energy and making their detection possible. Fragmentation cross section of hydrogen will be then obtained by subtraction. The same configuration provides also a measurement of projectile fragments with the direct kinematics approach. FOOT experimental setup consists of two different apparatus: a dedicated “table-top” electronic setup, based on a magnetic spectrometer, were conceived for the detection of heavier fragments (Z≥3). Alternatively, an emulsion spectrometer was designed in order to measure the production of low Z fragments (Z≤3) that would not cross the whole magnetic spectrometer. The purpose of the work presented in this doctoral thesis is the experimental characterization of particles originated in nuclear fragmentation processes for targets and beams of interest for particle therapy and space radiation protection, providing inputs to improve the accuracy of Monte Carlo transport codes presently used. Data collected in experimental campaigns using the standard setup to study the interaction of 400 MeV/u 12C ions beam with bone-like materials and 1000 MeV/u 58Ni ions beam with targets relevant for space applications have been analyzed. The presented fragments characterization comprehends the fraction of primary particles surviving the target and the yield and kinetic energy spectra of charged particles emitted at several angles with respect to the primary beam direction. The )*Ni beam data were collected in the frame of the ROSSINI experiment and focused on characterizing secondary neutrons production. Moreover, the analysis of the performances and fragments reconstruction capabilities of the FOOT electronic setup has been accomplished with Monte Carlo simulations. A dedicated analysis software has been developed in order to reconstruct fragments charge and mass, energy yields and production cross sections. A preliminary analysis of experimental data collected by a partial FOOT electronic setup is presented as well.

Recent advances in plasma-based propulsion systems have led to the development of electromagnetic Radio-Frequency (RF) plasma generation and acceleration systems, called Helicon Plasma Thrusters (HPT). One of the pioneer companies developing this new type of space propulsion is T4i Technology for Propulsion and Innovation s.p.a., with its cutting-edge project called REGULUS, among which this study has been performed. A crucial part of HPT systems is the acceleration region, where, by the means of a magnetic nozzle, the thermal energy of the plasma is converted into axial acceleration and, in turn, into thrust. This study is focused on the numerically simulation of the plasma dynamics in the acceleration stage, using Xenon gas. A three-dimensional full Particle-In-Cell (PIC) simulation strategy is used to simulate the plume in the magnetic nozzle. The code developed for the plasma simulation is based on the open-source software Spacecraft Plasma Interaction Software (SPIS). The code has been conveniently modified and improved, neutrals and collision processes were added to evaluate their impact on the plasma properties. The features added improved the validity of the results, now one step closer to the physical reality. The code has been proven to be an extremely versatile and powerful tool for optimization and adaptation to different mission scenarios. / De senaste framstegen i plasmaframdrivning har lett till utvecklingen Helicon Plasma Thruster (HPT) som kombinerar elektromagnetisk högfrekvent (RF) plasmakälla och ett accelerationssystem. En av företagen som är pionjärer i att utveckla denna nya framdrivningsteknik är T4i Technology for Propulsion and Innovation s.p.a., med dess banbrytande projekt REGULUS, som detta arbete bygger på. En viktig del av HPT-systemet är accelerationsområde där plasmats termiska energin omvandlas till axiell accelleration i en magnetisk dysa. Denna rapport fokuserar på numeriska modelleringen av plasmadynamiken accelerationsområdet vid användning av Xenongasen. En tredimensionell Particle-In-Cell (PIC) simulering används för att studera plasmautflödet i magnetiska dysan. Koden bygger på den öppna mjukvaran Spacecraft Plasma interaction Software (SPIS). Koden har modifierats och förbättrats, en neutral komponent samt kollisionsprocesser har lagts till och deras påverkan på plasmabeteende har studerats. Dessa nya element förbättrade giltigheten av simulerings-resultaten. Nu ett steg närmre den fysiska verkligheten. Koden är ett mångsidigt och kraftfullt verktyg för optimering och anpassning till olika användningsscenarier.

No description available.

Platinum-based catalysts for hydrogen fuel-cell applications have progressed greatly with the addition of a second element in either a mixed-alloy or core-shell structure. Not only do they contain a reduced amount of the more expensive platinum metal but they have been shown to demonstrate a significant improvement in catalytic activity. Further improvement of these systems can only be made by careful investigation of such catalyst panoparticles on an atomic scale. These nanoparticles provide a significant characterisation challenge due to their minute size and beam sensitivity. A new method of quantifying the annular dark-field (ADF) scanning transmission electron microscope (STEM) signal on an absolute scale has been developed to address this problem. Experimental images are scaled to a fraction of the incident beam intensity from a detector map. The integrated intensity of each individual atomic column is multiplied by the pixel area to yield a more robust imaging parameter: a scattering cross section, σ. Using this cross section approach and simulated reference data, I show it is possible to count the number of atoms in individual columns. With some prior knowledge of the sample, this makes it possible to reconstruct the 3-dimensional structures of pure platinum nanoparticles. Such an approach has subsequently been extended to bimetallic particles here the elements are close in atomic number, using the platinum-iridium system as an example. In the same way that the cross section can be calculated from ADF image intensity, it is possible to calculate an energy dispersive x-ray (EDX) partial scattering cross section, beneficial especially because of the simplicity of its implementation. In sufficiently thin samples such that the number of x-ray counts is linearly proportional to sample thickness, we can determine element-specific atom counts. Finally, it is possible to combine EDX and ADF cross sections to provide us with quantitative structural and compositional information.

Our objective is to report mortality rates for ponderosa pine trees in Oregon ten to eleven years after removing a fire-scarred partial cross-section from them, and five years after an initial survey of post-sampling mortality. We surveyed 138 live trees from which we removed fire-scarred partial crosssections in 1994/95 and 387 similarly sized, unsampled neighbor trees of the same species. These trees were from 78 plots distributed over about 5,000 ha at two sites in northeastern Oregon. The annual mortality rate for sectioned trees from 1994/95 to 2005 was 3.6% compared to 2.1% for the neighbor trees. However, many of the trees that died between 2000 and 2005 were likely killed by two prescribed fires at one of the sites. Excluding all trees in the plots burned by these fires (regardless of whether they died or not), the annual mortality rate for sectioned trees was 1.4% (identical to the rate from 1994/95 to 2000) compared to 1.0% for neighbor trees. During these fires, a greater proportion of sectioned trees died than did catfaced neighbor trees (80% versus 64%) but the difference was not significant.

L-shell x-ray production cross sections are presented for Fe, Ni, Cu, Zn, Ga, and Ge by 0.5- to 5.0-MeV protons and by 0.5- to 8.0-MeV helium ions and Ca, Fe, Ni, Cu, and Ge by 0.75- to 4.5-MeV lithium ions. These measurements are compared to the first Born theory and the perturbed-stationary- state theory with energy-loss, Coulomb deflection, and relativistic corrections (ECPSSR). The results are also compared to previous experimental investigations. The high precision x-ray measurements were performed with a windowless Si(Li) detector. The efficiency of the detector was determined by the use of thin target atomic-field bremsstrahlung produced by 66.5 keV electrons. The measured bremsstrahlung spectra were compared to theoretical bremsstrahlung distributions in order to obtain an efficiency versus energy curve. The targets for the measurement were manufactured by the vacuum evaporation of the target element onto thin foils of carbon. Impurities in the carbon caused interferences inthe L-shell x-ray peaks. Special cleansing procedures were developed that reduced the impurity concentrations in the carbon foil, making the use of less than 5 μg/cm^2 targets possible. The first Born theory is seen to greatly overpredict the data at low ion energies. The ECPSSR theory matches the data very well at the high energy region. At low energies, while fitting the data much more closely than the first Born theory, the ECPSSR theory does not accurately predict the trend of the data. This is probably due to the onset of molecular-orbital effects, a mechanism not accounted for in the ECPSSR theory.

[pt] Na visualização de campos escalares de dados volumétricos, o uso de seções de corte é uma técnica eficaz para se inspecionar a variação do campo no interior do domínio. A técnica de visualização consiste em mapear sobre a superfície da seção de corte um mapa de cores, o qual representa a variação do campo escalar na interseção da superfície com o volume. Este trabalho propõe um método eficiente para o mapeamento de campos escalares de malhas não estruturadas em seções de corte arbitrárias. Trata-se de um método de renderização direta (a interseção da superfície com o modelo não é extraída) que usa a GPU para garantir bom desempenho. A idéia básica do método proposto é utilizar o rasterizador da placa gráfica para gerar os fragmentos da superfície de corte e calcular a interseção de cada fragmento com o modelo em GPU. Para isso, é necessário testar a localização de cada fragmento na malha não estruturada de maneira eficiente. Como estrutura de aceleração, foram testadas três variações de grades regulares para armazenar os elementos (células) da malha, e cada elemento é representado pela lista de planos de suas faces, facilitando o teste de pertinência fragmento-elemento. Uma vez determinado o elemento que contém o fragmento, são aplicados procedimentos para interpolar o campo escalar e para identificar se o fragmento está próximo à fronteira do elemento, a fim de representar o aramado (wireframe) da malha na superfície de corte. Resultados obtidos demonstram a eficácia e a eficiência do método proposto. / [en] For the visualization of scalar fields in volume data, the use of cross sections is an effective technique to inspect the field variation inside the domain. The technique consists in mapping, on the cross section surfaces, a colormap that represents the scalar field on the surfasse-volume intersection. In this work, we propose an efficient method for mapping scalar fields of unstructured meshes on arbitrary cross sections. It is a direct-rendering method (the intersection of the surface and the model is not extracted) that uses GPU to ensure efficiency. The basic idea is to use the graphics rasterizer to generate the fragments of the cross-section surface and to compute the intersection of each fragment with the model. For this, it is necessary to test the location of each fragment with respect to the unstructured mesh in an efficient way. As acceleration data structure, we tested three variations of regular grids to store the elements (cells) of the mesh, and each elemento is represented by the list of face planes, easing the in-out test between fragments and elements. Once the element that contains the fragment is determined, it is applied procedures to interpolate the scalar field and to check if the fragment is close to the element boundary, to reveal the mesh wireframe on the surface. Achieved results demonstrate the effectiveness and the efficiency of the proposed method.

Foram realizadas medidas do alinhamento atômico do Ta, W e Au depois da ionização da subcamada L3 desses elementos por impacto de elétrons, via distribuição angular das linhas de raios x L, empregando alvos finos. As medições foram realizadas na linha de feixe de 10100 keV do Microtron de São Paulo. Os alvos foram confeccionados no Laboratório de Filmes Finos, pela técnica de deposição física de vapor (alvo de Au), e no Laboratório de Materiais Magnéticos, pela técnica de sputtering (alvos de Ta e W), enquanto que a caracterização deles foi realizada no Laboratório de Materiais e Feixes Iônicos, pela técnica de espectrometria de retroespalhamento Rutherford. O Microtron de São Paulo, bem como os laboratórios onde os alvos foram confeccionados e caracterizados, estão no Instituto de Física da Universidade de São Paulo. Os raios x decorrentes da ionização dos alvos foram detetados simultaneamente por três Silicon Drift Detectors localizados a 31°, 90° e 125° com relação à direção do feixe incidente. A determinação da eficiência de pico dos detetores foi realizada com um modelo analítico testado separadamente. As intensidades das linhas do multipleto de raios x L foram ajustadas em um único procedimento empregando funções Voigt para descrevê-las. O parâmetro de alinhamento A20 foi estimado a partir do conjunto de intensidades das linhas Ll, L1 e L2. A fim de comparar os resultados experimentais com as previsões teóricas foi calculado o parâmetro de alinhamento com a aproximação de Born de ondas planas não relativística, empregando as aproximações de HartreeSlater e DiracHartreeSlater para descrever os potenciais atômicos. Os resultados experimentais confirmaram a emissão não isotrópica dos raios x decorrentes de vacâncias preenchidas na subcamada L3, sendo que a magnitude desta anisotropia varia com a energia do feixe de elétrons incidente. Além disso, foram observadas anisotropias de sinais opostos para as linhas L1 e L2. A dependência em energia do parâmetro de alinhamento A20 mostra uma queda rápida de A20, com duas inversões de sinal, uma em torno de 2 E/E(L3) e outra em torno de 8 E/E(L3), e um valor não nulo de alinhamento em torno de 10 E/E(L3), para os três elementos estudados. A comparação dos resultados experimentais com os cálculos realizados mostra um bom acordo ate cerca de 5 E/E(L3) para o feixe de elétrons incidente, a partir deste ponto o experimento evidencia uma segunda inversão no sinal de A20, que não é prevista por essa teoria. Este é, a nosso saber, o primeiro trabalho a quantificar o alinhamento atômico na ionização de átomos pesados por impacto de elétrons, via distribuição angular de raios x na faixa de 1 a 10 E/E(L3). / Measurements of the atomic alignment of Ta, W and Au after the ionization of the L3 subshell of these elements were performed by electron impact via the angular distribution of x-ray lines employing thin targets. The targets were made in the Laboratório de Filmes Finos, by the technique of physical vapor deposition (Au target), and in the Laboratório de Materiais Magnéticos, by the sputtering technique (Ta and W targets), while their characterization was performed in the Laboratório de Materiais e Feixes Iônicos, by Rutherford Backscattering Spectrometry. The Microtron of São Paulo, as well as the laboratories where the targets were made and characterized, are placed at Instituto de Física of the Universidade de São Paulo. The x-rays from the ionization of the targets were detected simultaneously by three Silicon Drift Detectors placed at 31°, 90° and 125° with respect to the direction of the incident beam. The determination of the full energy peak efficiency of the detectors was performed with an analytical model previously tested. In the data analysis the L x-ray multiplet lines were fitted in a single procedure employing Voigt functions to describe them, and the Ll, L1 and L2 lines were employed simultaneously in the estimation of the alignment parameter A20. In order to compare the experimental results with the theoretical predictions, the alignment parameter was calculated with the non-relativistic plane-wave Born approximation using HartreeSlater and DiracHartreeSlater atomic potentials. The experimental results confirmed the nonisotropic emission of x-rays from filled vacancies in the L3 subshell, with the magnitude of this anisotropy varying with the energy of the incident electron beam. In addition, anisotropies of opposite signs were observed for the L1 and L2 lines. The energy dependence of the alignment parameter A20 shows a sharp fall of A20, with two sign inversions, one around 2 E/E(L3) and another around 8 E/E(L3), and a non-zero alignment value around 10 E/E(L3), for the three studied elements. Comparison of the experimental results with the performed calculations shows a good agreement up to about 5 E/E(L3) for the incident electron beam, from which the experiment evidences a second inversion in the sign of A20, which is not predicted by this theory. This is, to our knowledge, the first work to quantify the atomic alignment in the ionization of heavy atoms by electron impact, via an angular distribution of x-rays in the interval from 1 to 10 E/E(L3).

The power of the McCumber theory [D. E. McCumber, Phys. Rev. 136, A954-957 (1964)] consists in its ability to accurately predict emission cross section spectra from measured absorption, and vice versa, including both absolute values and spectral shapes. While several other theories only allow the determination of integrated cross sections, the McCumber theory is unique in generating the spectral shape of a cross section without any direct measurements regarding that cross section. The present work is a detailed study of the range of validity of the McCumber theory, focussing particularly on those aspects that most critically affect its applicability to transitions of rare earth ions in glasses. To analyze the effect of the spectral broadening on the accuracy of the technique, experiments were performed at room and low temperature. The theory was tested by comparing the cross sections calculated using the McCumber relation with those obtained from measurements. At room temperature, a number of ground state transitions of three different rare earth ions (Nd, Er and Tm) in oxide and fluoride glass hosts have been studied. Special attention was paid to the consistency of the measurements, using the same experimental setup, same settings and same detection system for both absorption and fluorescence measurements. Other aspects of the experimental procedure that could generate systematic errors, like fluorescence reabsorption and baseline subtraction uncertainties in the absorption measurements, were carefully investigated. When all these aspects are properly accounted for, we find in all cases an excellent agreement between the calculated and the measured cross section spectra. This suggests that the McCumber theory is not limited to crystalinne hosts, but describes quite well the reciprocity between emission and absorption for the broader transitions of rare earths in glassy hosts. This good agreement does not hold, however, for the low temperature results. The distortion observed in this case follows the theoretically predicted behavior, and corresponds to the amplification of the gaussian wings that describes the inhomogeneous type of broadening. Our results suggest that the McCumber theory must be used with caution for temperatures below 200 K.

Fluorescent nucleic acid base analogues (FBAs) are an important class of molecule used to study the structure and dynamics of DNA and RNA. These base analogues are molecules with structures that resemble one of the natural bases but which, unlike the natural bases, have high fluorescence quantum yields. 2-Aminopurine (2AP) has long been the most widely used fluorescent base analogue and is one of the few base analogues commercially available. One problem with 2AP is that it undergoes significant quenching when incorporated into DNA: the quantum yield decreases 100 fold from that of the free base, thus becoming too low for use in, for example, single molecule studies. A secondary problem is that the 305 nm absorption peak requires excitation in the UV. A variety of new fluorescent base analogues are being produced, with a view to remedying the deficiencies of 2AP and expanding the current range of use. The first part of this thesis explores the one-photon photophysical properties of several of these novel FBAs. The first of these novel FBAs is the 6-aza-uridine family. These compounds, analogues of uridine, have large Stokes shifts and their absorption and emission spectra are red-shifted in comparison to 2AP; their quantum yields as free bases have been shown to exceed that of 2AP and their environmental sensitivity has been demonstrated. Time-resolved measurements reported in this thesis indicate the presence of multiple emitting species. A density functional theory (DFT) study has been carried out to rationalise these emitting species as rotational isomers. Similar fluorescence lifetime measurements were made on a second class of FBAs, the quadracyclic adenine analogues, qANs; these results also indicated the presence of multiple emitting species. Experimental results show that these FBAs undergo excited-state proton transfer. The final FBA studied in this thesis is pentacyclic adenine, pA. This FBA showed some of the most promising characteristics of all the analogues investigated, such as a high quantum yield in both polar and non-polar solvents. A time-resolved investigation into pA-containing oligonucleotides indicated that in an oligonucleotide pA adopts multiple stacked conformations and its behaviour is highly sequence dependent. Several of these aforementioned fluorescent base analogues have absorption spectra in a region that makes them accessible to two-photon (2P) excitation with a Ti:Sapphire laser. In biological systems, multiphoton excitation has several advantages over one-photon excitation. By avoiding the use of ultraviolet light there is reduced phototoxicity. Out of focus photobleaching and autofluorescence are also minimised which leads to a higher signal-to-background ratio and allows deeper tissue penetration to be achieved. Fluorescent base analogues tend to have small Stokes shifts; this is another problem that can be overcome by using two-photon excitation. To be of potential use in multiphoton microscopy, a FBA must have a high two-photon absorption cross-section and a high two-photon brightness. Previously, the highest two- photon brightness measured for a fluorescent base analogue was less than 2 GM. Amongst the base analogues investigated here, are several that have higher two-photon brightness than ever reported for FBAs; these include pA which is shown to have the highest 2P brightness of a FBA in an oligonucleotide, 1.3 GM, and a member of the 6-azauridine family which as a free base has a 2P brightness of 18 GM. Detection of individual molecules represents the ultimate level of sensitivity and enables details about a molecular system that would otherwise be concealed using conventional ensemble techniques to be revealed. With the improved 2P brightness of the molecules measured in this thesis, it has become feasible to detect single FBA molecules using 2P excitation. To maximise the chance of detection, ultrafast, shaped laser pulses have been used as the excitation source. For the first time, the signal has been high enough and the molecule of interest sufficiently photostable such that 2P fluorescence correlation spectroscopy of a fluorescent base analogue in an oligonucleotide could be measured. In summary, this thesis reports the fluorescence lifetimes and two-photon cross-sections of a series of novel fluorescent base analogues, as well as fluorescence correlation spectroscopy measurements of the most promising candidates.