Understanding the Earth’s interior requires exploring minerals under extreme pressures and temperatures, conditions often unattainable by experimental methods. Atomistic simulations provide a powerful tool to investigate these extreme environments, offering insights into minerals' physical and chemical behavior deep within the Earth. However, complex phase relations and pronounced anharmonic effects pose significant challenges to these simulations. To address these challenges, we developed advanced methodologies and employed cutting-edge atomistic simulation techniques. Our work focused on modeling phonon behavior, simulating X-ray, IR, and Raman spectroscopy, and evaluating key properties such as thermodynamics, compressive strength, and thermoelasticity. We extended the quasiharmonic approximation for thermoelasticity and introduced a new formalism for third-order elasticity to tackle the complexities inherent in these systems. Our research sheds light on phenomena like hydrogen bond disordering, tunneling, diffusion, and hydrogen bond-induced elastic anisotropy under extreme pressure. These advancements significantly enhance our understanding of the thermal and chemical structures of the Earth’s deep interior.

The work contained within this thesis Is made up primarily of two pieces Both address active galactic nuclei And the galaxies that live nearby The obscured fraction of the population Is the topic of one publication And the type-II fraction in the optical regime In chapter four this is the theme I research the vicinity overdensity Around radio galaxies in chapter three, you’ll see I reduce some spectra at redshift one But not all observations in the end got done With the spectra I have I do what I can As if all target observations had actually ran In the end I conclude with results and the theme of research to be done further downstream. The works contained herein addresses two major topics in extragalactic astrophysics, namely the Type-II AGN fraction and the Overdensity-Radio power relation. Quantifying the Type-II AGN fraction has been attempted by many works in many different observational regimes, finding rather contrasting results. Accretion onto supermassive black holes contributes between 5 per cent and 20 per cent of the luminosity of the Universe, and seems to be closely linked to star formation processes. The large uncertainty on this value is due to the ill-determined contribution from obscured accretion, namely the Type-II fraction. In Chapters 3 and 4 I address this issue from a theoretical standpoint in the X-ray regime and an observational standpoint in the optical regime respectively. In Chapter 3 I show how crude X-ray spectroscopy of partially obscured AGN can lead to catastrophic underestimations of the intrinsic X-ray luminosity of these sources. Acting over an entire population, these partial obscurers can produce an obscured AGN fraction which decreases as a function of observed luminosity. The results are consistent with observations in the X-ray vs. IR luminosity of AGN classes. In Chapter 4 I select a statistically significant sample of AGN from an unbiased 250μm galaxy sample. After spectroscopic classification I find the optical Type- II AGN fraction to be consistent across several decades in [OIII] luminosity, a common proxy for intrinsic AGN luminosity. I also investigate the relation of AGN activity to host galaxy mass, as well as star formation activity and star formation history. Probing the environments of protoclusters will help to constrain the models of structure formation in the Universe. Until now, no dataset has been big enough to probe the environments of high redshift radio galaxies at a statistical level; While many believe that the feedback processes of high luminosity radio jets will have a direct impact on star formation in the surrounding medium it has not been tested. In Chapter 2 I investigate this on an statistical level, finding no meaningful correlation between radio galaxy radio power and source overdensity in the vicinities of these sources. In Chapter 5 I discuss the reduction of a 24μm sample at redshift z ∼ 1 for direct comparison with a local 12μm sample. With only a fraction of the target sample being observed, no statistically significant results could be derived, but the objects are spectroscopically classified and spectroscopic redshifts are measured where possible. Correlations in the data set are investigated and the limitations of the sample selection strategy are discussed.

The aim of nuclear structure studies is to observe and describe the structures and associated symmetries in nuclei, which in turn help us in understanding the nature of nucleon-nucleon interactions in a nucleus as a many-body quantum system. The protons and neutrons as constituents of a nucleus and their interactions are responsible for nuclear properties. The evolution of nuclear structure as a function of valence nucleon number, i.e., the number of nucleons beyond a magic number, can be inferred from the experimental level scheme and transition rates. In particular, the studies of low-lying, low-spin excited states in stable nuclei provide valuable information on the interplay of valence neutrons and protons in nuclear structure. The decay scheme and knowledge of transition strengths in the low-lying states become a benchmark for testing theoretical model predictions and understanding the underlying microscopic foundations of nuclear structure. Along with the experimental techniques, theoretical models have been developed to explain and describe the observed nuclear properties, e.g., shell model, Fermi-gas model, optical and liquid-drop models, and several “collective” models. 94/40Zr50 nucleus with 2 protons and 4 neutrons above the shell closures of the 88/38Sr50 core nucleus is considered as a nearly spherical nucleus. Such nuclei present a vibrational structure; surface vibration of the nucleus about a spherical shape. In addition to the symmetric excitations, in which proton and neutron oscillations are in phase, there are another class of excitations in which the wave function is not fully symmetric with respect to the exchange of protons and neutrons. These states are so called mixed-symmetry (MS) states. Such excitations have been observed in the N= 52 neighboring isotones. In this study, the low-lying structure of 94/40Zr has been studied with the (n, n'ƴ) reaction at the University of Kentucky and Triangle Universities Nuclear Laboratories (TUNL) facilities, to identify symmetric and MS excitations in this nucleus. A decay scheme has been established based on excitation function and coincidence measurements. Branching ratios, multipole mixing ratios, and spin assignments have been determined from angular distribution measurements at En= 2.3, 2.8, and 3.5 MeV. Lifetimes of levels up to 3.4 MeV were measured by the Doppler-shift attenuation method (DSAM), and for many transitions reduced transition probabilities were determined. The experimental results were used for the identification of collective symmetric and mixed-symmetric (MS) multiphonon excitations. The 2+/2 state at 1671.4 keV has been identified as the lowest MS state in 94Zr; B(M1; 2+/ms → 2+/1 ) = 0.31(3) μ2/N. This state has an anomalous decay behavior, i.e., B(E2; 2+/ ms → 0+/1 ) = 7.8(7) W.u., which is unusually large compared to the B(E2; 2+/1 → 0+/1 ) = 4.9(3) W.u. More anomalies were identified in the states above the 2+/ms state. For example, the 4+/2 state at 2330 keV decays strongly to the 2+/1 state, B(E2; 4+/2 → 2+/1 ) = 20+3/−2 W.u., compared to the 4+/1 state at 1469 keV, B(E2; 4+/1 → 2+/1 ) = 0.878(23) W.u. The experimental results revealed additional interesting and unusual properties of the low-lying states in 94Zr. Shell model calculations were performed with the Oxbash code, using the Vlow k interaction. Also, the IBM-2 predictions in the vibrational limit were compared with the experimental results. The results from neither of these nuclear models were in good agreement with the observed transition strengths, e.g., the B(E2; 2+/ms → 0+/1 ) value. These observations may indicate that the contributions of valence nucleons in the low-lying excited states of 94Zr differ from what has been perscribed by the shell model and the IBM-2 model. The effects of the Z = 40 and N = 56 subshell closures should be also considered. In a simple interpretation, the excited states are classified in two distinct categories, i.e., those populating the 2+/2 state and those decaying to the 2+/1 state. This approach suggests that in 94Zr the low-lying states may be related to two-configurations coexistence.

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.

Neste trabalho foi medido o alargamento Doppler de uma aniquilação elétron pósitron com o uso de um filtro angular. O Filtro angular reduz, substancialmente, a detecção de fótons provenientes de aniquilações de elétrons com baixo momento, enfatizando, desta forma, a contribuição de aniquilações com elétrons fortemente ligados. Foram medidos os espectros de coincidência para os ângulos de corte de 0,28°, 0,42° e 1.2°. Os resultados obtidos mostram que, conforme se aumenta o ângulo de corte, há uma redução das aniquilações com elétrons de valência em proporção muito maior do que para elétrons fortemente ligados. Foi determinada a transmissibilidade do filtro em função do ângulo entre as direções de emissão dos gamas, levando em conta todos os elementos do arranjo experimental para cada ângulo crítico, assim como a distribuição espacial da atividade da fonte radioativa. Um modelo simples foi utilizado para estimar teoricamente a dependência da dispersão da energia em função do ângulo de corte. Este modelo permitiu calcular o alargamento Doppler da radiação de aniquilação elétron pósitron. Os resultados obtidos mostram um bom acordo com os dados experimentais. Geralmente, estudos de aniquilação de pósitrons com elétrons fortemente ligados dependem de uma modelagem detalhada do espectro de coincidência, ou da medida dos fótons provenientes da aniquilação em coincidência com elétrons Auger. O filtro angular, desenvolvido neste trabalho se coloca como uma boa alternativa a estes métodos. / This work reports the measurement of the Doppler broadening of the electron-positron annihilation radiation using an angular filter. The angular filter substantially reduces the number of detected gamma-rays from positron annihilation with low momentum electrons, therefore emphasizing the contribution of bound electron. Four coincidence measurements of the emitted gamma-rays were done with arrangements corresponding to critical angles of 0.28°, 0.42°, 1.2°. The obtained results show that the relative intensity of annihilation with valence electrons decreases as the critical angle increases. The filter transmissibility as a function of the angle between the two gamma-rays emission directions was determined taking into account all the elements of the experimental arrangement for every critical angle as well as the spatial distribution of the source activity. A simple model was used to theoretically estimate the dependence of the energy dispersion on the critical angle. The model allows us to calculate the Doppler broadening of the electron-positron annihilation radiation, and the obtained results show good agreement with the experimental data. Usually, the study of positrons annihilation with inner electrons requires good detectors\' energy resolution and depends on either sophisticated modeling and statistical analysis of the coincidence spectra or the measurement of the annihilation gamma-rays in coincidence with Auger electrons. The use of the angular filter developed in this work is a good alternative to those procedures.

Medidas de correlação angular perturbada diferencial no tempo - TDPAC - foram efetuadas com um sistema de detetores de HPGe com o objetivo de ampliar o conjunto de nuclídeos utilizáveis como sondas de prova de campo magnético e de gradiente de campo elétrico na matéria. A análise dos espectros obtidos considera a convolução angular de ordem superior a dois, o que está fora do escopo do procedimento convencional quando se utiliza o arranjo experimental padrão. O algoritmo é baseado no método dos mínimos quadrados e considera rigorosamente as incertezas estatísticas dos dados. O programa de cálculo implementado é orientado a objetos, que representam as estruturas matemáticas envolvidas na redução dos dados pelo método dos mínimos quadrados e os sistemas físicos característicos do experimento. Os detetores semicondutores mostraram-se inadequados ao estudo de materiais por TDPAC nas condições experimentais disponíveis. O método de análise proposto aqui foi aplicado à redução dos espectros obtidos em outros laboratórios, que utilizam cintiladores rápidos, resultando na determinação de parâmetros associados à estrutura cristalina para os quais a análise convencional não é sensível, em particulas dos coeficientes de atenuação temporal da correlação para cada uma das freqüências de oscilação. Esta metodologia permite calcular corretamente as incertezas nos parâmetros, notadamente nas frações de ocupação de diferentes sítios pela sonda de prova. / Time dependent perturbed angular correlation TDPAC measurements were performed with a HPGe detector array aiming to increase the set of nuclides usable as magnetic field and electric field gradient probes in matter. The analysis of the obtained spectra takes into account the convolution of the perturbation function with the detector time response and angular correlation coefficients of order greater than two, which is not in scope of the conventional procedure. The algorithm is based on the least-squares method and considers rigorously the data statistical uncertainties. The implanted computer code is built on objects representing the mathematical entities used in data reduction by the least-squares method and the physical components of the experiment. The semiconductor detectors were found unsuitable for material study through TDPAC in the available experimental conditions. The analysis method proposed here was applied to the reduction of spectra obtained by other Laboratories that use fast scintillators, giving crystalline structure related parameters which cannot be determined in the conventional analysis, particularly correlation time attenuation parameters for each oscillation frequency. The uncertainties in the fitted parameters are correctly calculated by this method notably in the site probe occupation fractions.

by Choy Wing Hong. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1998. / Includes bibliographical references (leaves 95-102). / Text in English; abstract also in Chinese. / by Choy Wing Hong. / ABSTRACT --- p.vi / ACKNOWLEDGEMENTS --- p.x / LIST OF FIGURES --- p.xi / LIST OF TABLES --- p.xiii / Chapter Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- Background --- p.1 / Chapter 1.2 --- Surface passivation techniques --- p.2 / Chapter 1.2.1 --- Sulfide solution passivation --- p.2 / Chapter 1.2.2 --- Gas-phase sulfide passivation --- p.3 / Chapter 1.2.3 --- Ultra-violet and ozone exposure --- p.4 / Chapter 1.3 --- Surface structure of sulfide-passivated surface --- p.5 / Chapter 1.4 --- Surface structure of ultra-violet/ozone oxidation --- p.8 / Chapter 1.5 --- Objectives of present study --- p.10 / Chapter Chapter 2 --- Instrumentation --- p.12 / Chapter 2.1 --- Introduction --- p.12 / Chapter 2.2 --- Atomic force microscopy (AFM) --- p.12 / Chapter 2.2.1 --- The development of AFM --- p.12 / Chapter 2.2.2 --- Basic principles of AFM --- p.12 / Chapter 2.2.3 --- Forces and their relevance to atomic force microscopy --- p.13 / Chapter 2.2.3.1 --- Van Der Waals forces --- p.15 / Chapter 2.2.3.2 --- Repulsive forces --- p.15 / Chapter 2.2.3.3 --- Capillary forces --- p.15 / Chapter 2.2.4 --- Displacement sensor of AFM --- p.15 / Chapter 2.2.4.1 --- Electron tunneling --- p.16 / Chapter 2.2.4.2 --- Optical interference --- p.16 / Chapter 2.2.4.3 --- Laser beam deflection --- p.16 / Chapter 2.2.5 --- Instrument specification --- p.17 / Chapter 2.2.5.1 --- Contact mode AFM --- p.17 / Chapter 2.3 --- X-ray photoelectron spectroscopy --- p.19 / Chapter 2.3.1 --- The development of XPS --- p.19 / Chapter 2.3.2 --- Basic principles of XPS --- p.19 / Chapter 2.3.3 --- XPS experiments --- p.23 / Chapter 2.3.4 --- Quantitative analysis --- p.26 / Chapter 2.3.4.1 --- Atomic concentration of a homogenous materials --- p.26 / Chapter 2.3.4.2 --- Layer structure --- p.27 / Chapter 2.4 --- Rutherford backscattering spectrometry (RBS) --- p.29 / Chapter 2.4.1 --- Basic principles --- p.29 / Chapter 2.4.2 --- Kinematics --- p.29 / Chapter 2.4.3 --- Channeling --- p.31 / Chapter Chapter 3 --- Surface treatments --- p.32 / Chapter 3.1 --- Semiconductor wafer --- p.32 / Chapter 3.2 --- Cleaning procedures --- p.32 / Chapter 3.3 --- Polysulfide passivation --- p.34 / Chapter 3.4 --- UV/Ozone oxidation --- p.39 / Chapter Chapter 4 --- Surface roughness and oxide contents of sulfide passivation --- p.41 / Chapter 4.1 --- Introduction --- p.41 / Chapter 4.2 --- Experimental methodology --- p.42 / Chapter 4.3 --- Etching --- p.44 / Chapter 4.3.1 --- Etching effect of polysulfide solution --- p.45 / Chapter 4.3.2 --- Possible consequences of the etching effect --- p.45 / Chapter 4.4 --- Oxide contents --- p.47 / Chapter 4.4.1 --- Oxide gained during polysulfide solution treatment --- p.47 / Chapter 4.4.2 --- Oxide gained after polysulfide passivation --- p.47 / Chapter 4.5 --- Surface roughness --- p.49 / Chapter 4.5.1 --- Surface roughness after different passivation methods --- p.49 / Chapter 4.5.2 --- The sticking probability after different passivations --- p.51 / Chapter 4.6 --- The spiral ladder of solution-phase passivation --- p.55 / Chapter 4.7 --- Conclusions --- p.58 / Chapter Chapter 5 --- Sulfide on Ge/GaAs heterojunction --- p.59 / Chapter 5.1 --- Introduction --- p.59 / Chapter 5.1.1 --- Band structure of Ge/GaAs heteroj unction --- p.59 / Chapter 5.1.2 --- Lattice match of Ge/GaAs heteroj unction --- p.60 / Chapter 5.1.3 --- The growth of Ge on GaAs using molecular beam epitaxy --- p.62 / Chapter 5.2 --- The growth of Ge on GaAs using thermal pulse annealing --- p.63 / Chapter 5.3 --- Sulfide as an atomic interdiffusion barrier --- p.65 / Chapter 5.3.1 --- Experimental methodology --- p.65 / Chapter 5.3.2 --- Crystallinity of Ge --- p.67 / Chapter 5.3.3 --- Results and discussions --- p.67 / Chapter 5.3.3.1 --- RBS and XPS results --- p.67 / Chapter 5.3.3.2 --- AFM and I-V results --- p.71 / Chapter 5.4 --- Conclusions --- p.71 / Chapter Chapter 6 --- UV/03 on Ge/GaAs heterojunction --- p.72 / Chapter 6.1 --- Introduction of UV/o3 oxidation --- p.72 / Chapter 6.2 --- UV/o3 oxidation on GaAs --- p.74 / Chapter 6.3 --- Ge on UV/o3 treated GaAs --- p.76 / Chapter 6.3.1 --- Experimental methodology --- p.76 / Chapter 6.3.2 --- Crystallinity of Ge --- p.77 / Chapter 6.3.3 --- AFM results --- p.77 / Chapter 6.3.4 --- RBS results --- p.80 / Chapter 6.4 --- Diodes --- p.82 / Chapter 6.4.1 --- Fabrication of diode --- p.82 / Chapter 6.4.2 --- Diode characteristics --- p.84 / Chapter 6.4.3 --- I-V characteristics --- p.90 / Chapter 6.5 --- Conclusions --- p.90 / Chapter Chapter 7 --- Conclusion and future work --- p.93 / Chapter 7.1 --- Conclusions --- p.93 / Chapter 7.2 --- Future works --- p.94 / Reference --- p.95

Orientador: Marian Rosaly Davolos / Banca: José Clayston Melo Pereira / Banca: Sergio Antonio Marques de Lima / Banca: Yara Galvão Gobato / Banca: Andrea Simone Stucchi de Camargo Alvarez Bernardez / Resumo: Neste trabalho, foram obtidos e caracterizados complexos luminescentes com íons Ln3+ (Ln = Eu, Gd, Tb, Dy) homo e/ou heterobilantanídicos com o ligante ácido tiofeno-2- carboxílico, que atua eficientemente como antena, absorvendo energia e transferindo-a para o íon emissor. A presença do anel tiofênico nos ligantes confere características interessantes, como por exemplo, maior polarizabilidade por conter em sua estrutura um átomo de enxofre. Os complexos foram caracterizados por análise elementar, análise de Ln3+ por análise titulométrica com uso de edta, análise térmica, espectroscopia vibracional na região do infravermelho e DRX, que permitiram propor as estequiometrias [Ln(α-tpc)3(α-Htpc)2]n e [Ln(α-tpc)3(α-Htpc)] e que a coordenação se dá pelo modo bidentado. Pelas espectroscopias eletrônica UV-vis, fotoluminescência e de excitação por raios X, foram observadas as transições características dos íons Ln3+ envolvidos neste trabalho. São propostos mecanismos de transferência de energia em compostos puros e nos complexos heterobilantanídicos, à partir da elaboração de diagramas de energia, baseados nos resultados de fotoluminescência. Os complexos também tiveram suas propriedades magnéticas investigadas, em alguns casos, pela utilização da técnica de EPR, PPMS e VSM, sendo observado um comportamento predominantemente paramagnético para os complexos. Os complexos foram expostos à radiação ionizante por um tempo prolongado, a fim de verificar o comportamento e estabilidade química desses complexos homo e heterolantanídicos sob radiação ionizante e os resultados mostraram que os complexos são estáveis frente à excitação com raios-X. / Abstract: Monometallic and/or heterobimetallic Ln3+ (Ln = Eu, Gd, Tb, Dy) luminescent complex with thiophen-2-carboxylic acid was investigated. The ligand employed in this work, acts efficiently as antenna, absorbing and transfer energy to the emitter ion. The thiophen ring provides interesting features to the system, like higher polarizability due the sulphur atom. The complex were characterized by elemental analysis, complexometric titrimetry with edta, in order to quantify Ln3+, thermal analysis, FTIR and XRD which allowed propose two different stoichiometries [Ln(α-tpc)3(α-Htpc)2]n and [Ln(α-tpc)3(α-Htpc)] and the coordination of the ligand to the Ln3+ occurs through the bidentate coordination mode. By the UV-vis, photoluminescence and X rays spectroscopies, were observed the Ln3+ transitions. Energy transfer mechanism were proposed in monometallic and heterobimetallic complexes, from the drafting of the energy diagram, based on results of fotoluminescence. The complex also have the magnetic properties investigated, by the EPR, PPMS and VSM techniques and the results shows a predominantly paramagnetic behavior to the complexes. The complexes were exposure to ionizing radiation during a extended time, in order to verify the chemical stability of the homo and hetero-lanthanide complex forward to ionizing radiation and is observed high stability over X-ray excitation. / Doutor

Alvos naturais de Mg, Al, Si, Cr, Ti, Ni e Zr foram irradiados com prótons e as seções de choque para várias reações nucleares foram determinadas a energias inferiores a 30 MeV. As irradiações foram efetuadas nos ciclotrons CV-28 e CYCLONE 30 do IPEN, que possuem energia nominal de 24 e 30 MeV, respectivamente. O feixe de prótons foi monitorado por meio de lâminas de Cu ou a partir da formação de nuclídeos na própria amostra com seção de choque conhecida para as energias utilizadas. Especial interesse foi dedicado às reações raras di tipo (p, 2alfa) e (p, ANTPOT.3 H) das quais existem, em geral, poucos dados publicados, principalmente para energias próximas do limiar. A determinação da seção de choque foi realizada a partir da medida da atividade residual dos produtos pelo método de espectroscopia gama simples. Um detector HPG com resolução menor que 2 keV foi utilizado. Devido ao valor reduzido da seção de choque das reações de interesse no intervalo de energia considerado, uma análise estatística cuidadosa dos dado foi necessária. Em áreas reduzidas dos picos detectados precisaram da quantificação, em alguns casos, da contribuição de nuclídeos formados na própria amostra por outras reações, a partir de impurezas ou provenientes do fundo radioativo. Entre os produtos obtidos encontram-se os nuclídeos ANTPOT.22 Na, ANTPOT.26 Al, ANTPOT.44 Ti, e ANTPOT.54 Mn. A detecção de ANTPOT.26 Al nas amostras de Al e Si, permitiu estimar os limites do método proposto para o estudo de reações raras de interesse astrofísico. No total, são apresentados neste trabalho 72 valores de seção de choque. Desse total, 21 dados são apresentados pela primeira vez ou foram obtidos pela primeira vez pelo método proposto ou às energias estudadas. Os resultados mais importantes referem-se às reações ANTPOT.29 Si(p, 2alfa)ANTPOT.22 Na,ANTPOT.53 Cr(p, 2alfa)ANTPOT.46 Sc, ANTPOT.46 Ti(p, ANTPOT.3 H)ANTPOT.44 Ti, )ANTPOT.58 Ni(p, ANTPOT.3 H)ANTPOT.56 Ni e ANTPOT.90 Zr(p, ANTPOT.3 H)ANTPOT.88 Zr. Os resultados foram comparados com valores publicados na literatura e com o resultado do cálculo realizado a partir de modelos teóricos conhecidos, permitindo a obtenção de conclusões relativas ao método experimental, assim como aos mecanismos da reação envolvidos. / Natural targets of Mg, Al, Si, Cr, Ti, Ni and Zr were irradiated with protons and the cross section for several reactions were determined for incident energies up to 30 MeV. The irradiations were performed at the CV-28 and CYCLONE 30 cyclotrons from the IPEN, which have nominal energies of 24 and 30 MeV, respectively. The protons beams were monitored by copper foils or by the nuclide formation in the irradiated targets with known cross sections for the used energy. Special interest was dedicated to rare reactions of the (p, 2alfa) and (p, ANTPOT.3 H) kind, from which we have a few published data, mainly for energies near the threshold. The cross section determination was accomplished by the residual actives measurement of the reaction products by the simple gamma spectroscopy method using an HPGe detector with resolution better than 2 keV. Due to the low value of the cross section for the considered reaction, a careful statistical analysis of the obtained data was needed. The small areas of the detected peaks required the quantification of the contributions of nuclides produced by others reactions, from contaminants or from the radioactive background. Among others, the ANTPOT.22 Na, ANTPOT.26 Al, ANTPOT.44 Ti and ANTPOT.54 Mn products have been detected. The detection of ANTPOT.26 Al in the Al and Si targets allow the estimation of the limits of the proposed method for the study of astrophysical interest reaction. In total, 72 cross section values are being presented. Out of this amount, 21 are being presented for the first time or have been obtained for the first time by the method or for the studied energies. The most important results refer to the ANTPOT.29 Si(p, 2gamma)²²Na, ANTPOT.53 Cr(p, 2gamma)ANTPOT.46 Sc, ANTPOT.46 Ti(p, ANTPOT.3 H)ANTPOT.44 Ti, ANTPOT.58 Ni(p, ANTPOT.3 H)ANTPOT.56 Ni and ANTPOT.90 Zr(p, ANTPOT.3 H)ANTPOT.88 Zr reactions. The results have been compared to published vales and calculations using known theoretical models, allowing the achievement of conclusions related to the experimental method, as well as the reaction mechanism involved.

[Truncated abstract] Areal bone mineral density (BMD) is measured routinely in the clinic by a quantitative radiological technique, dual-energy X-ray absorptiometry (DXA). BMD is used widely to assess non-invasively but indirectly the mechanical fragility of bone and consequently is able to predict fracture risk. While BMD correlates well with in vitro measurements of bone strength it does not directly measure a mechanical property; half of incident minimally traumatic fractures in women occur with BMD values above the World Health Organisation defined threshold for osteoporosis. This arises partly because the mechanical strength of bone is dependent on its structural geometry and material strength as well as bone mineral mass. Essentially, bones fracture when load stresses exceed the mechanical capacity of the material to withstand them. The structural geometry (i.e., the amount of bone tissue and its complex three-dimensional arrangement within the macroscopic bone envelope) defines the stresses produced by a given load, while the intrinsic load capacity of the material is defined by the composition and microstructure of the bone tissue itself. Hip structural analysis (HSA) is a technique that elucidates the structural geometric component of bone strength; essentially combining information available from conventional DXA images of the proximal femur with a biomechanical beam model based on the stresses arising in a combination of pure bending and axial compression. A version of HSA has recently been released commercially, and has obtained US Food and Drug Administration approval for its clinical application. ... Given the acknowledged limitations of the HSA method when applied to 2-D projection images, a 3-D approach to structural geometry, using imaging modalities such as pQCT and QCT or a recently introduced version of DXA that mimics QCT, is indicated for the future. With that in mind and the possibility of the anthropometric phantom being adopted for future accuracy and precision assessments, improvements in the design of this phantom are recommended. Studies to better understand and verify Contents v the relevance of the 'local buckling' phenomenon as a structural geometric factor in the genesis of macro-fractures are also recommended. In summary, it is essential that superior (compared to BMD) non-invasively determined clinical predictors of bone fragility leading to fracture be investigated. Structural geometric variables are potential candidates. This has led to consideration of; (i) the need to progress beyond BMD for a more sensitive and specific bone strength measurement; (ii) theoretical advantages of structural geometry over BMD; (iii) limitations of the current HSA technique based on DXA, including those introduced by its restrictive assumptions; (iv) the value of HSA in longitudinal studies, exemplified by the 'normal' but rapid skeletal changes seen in human lactation, with possible implications for an analogous study of the menopause; and (v) an investigation, using a custom-designed anthropometric phantom, of the adaptation of HSA to certain emerging imaging modalities and methods able to resolve bone structural geometry in three dimensions.