The accurate and efficient simulation of coupled neutron-photon problems is necessary for several important radiation detection applications. Examples include the detection of nuclear threats concealed in cargo containers and prompt gamma neutron activation analysis for nondestructive determination of elemental composition of unknown samples. In these applications, high-resolution gamma-ray spectrometers are used to preserve as much information as possible about the emitted photon flux, which consists of both continuum and characteristic gamma rays with discrete energies. Monte Carlo transport is the most commonly used modeling tool for this type of problem, but computational times for many problems can be prohibitive. This work explored the use of coupled Monte Carlo-deterministic methods for the simulation of neutron-induced photons for high-resolution gamma-ray spectroscopy applications. A method was developed for the implementation of coupled neutron-photon problems into RAdiation Detection Scenario Analysis Toolbox (RADSAT), a computer code that couples the complementary strengths of discrete-ordinate and Monte Carlo approaches to obtain high-resolution detector responses. Central to this work was the development of a method for generating multi-group neutron-photon cross-sections in a way that separates the discrete and continuum photon emissions so that the key signatures in neutron activation analysis (i.e., the characteristic line energies) are preserved. The mechanics of the cross-section preparation method are described and contrasted with standard neutron-gamma cross-section sets. These custom cross-sections were then applied to several benchmark problems using the method developed in this work. Multi-group results for neutron and photon flux are compared to MCNP results. Finally, calculated responses of high-resolution spectrometers were compared. The added computational efficiency of the coupled Monte Carlo-deterministic method and the positive agreement achieved in the code-to-code verification make the integration of the coupled neutron-photon method into RADSAT a promising endeavor.

O ambiente costeiro tem sido fortemente alterado em função de múltiplos impactos ambientais decorrentes das atividades antrópicas, como por exemplo, o escoamento de esgoto proveniente de áreas urbanas, a liberação de inúmeros produtos químicos das indústrias, a agricultura e o fluxo de embarcações, que podem acarretar vazamentos acidentais de petróleo e derivados, combustíveis e outros produtos transportados por via marítima. Neste contexto, um dos meios para avaliação da contaminação ambiental causada por essas substâncias potencialmente tóxicas em água do mar é a monitoração por meio de diferentes espécies de bivalves, que tem sido utilizada por diversos pesquisadores, do Brasil e do exterior. No que se refere aos moluscos bivalves, particularmente os mexilhões, o seu uso no biomonitoramento da contaminação marinha deve-se principalmente à sua ampla distribuição geográfica, hábito séssil e habilidade de concentrar metais tóxicos em até 102 - 105 vezes em relação às concentrações detectadas na água. No presente trabalho, foi empregado o biomonitoramento passivo com o uso do molusco bivalve Perna perna com relação aos elementos Br, Cl, K, Mg, Mn e V. Foram escolhidos estes elementos uma vez que eles podem ser determinados pelo método de INAA (Análise por Ativação com Nêutrons Instrumental), por meio da irradiação curta o que proporciona análises mais rápidas e também por serem importantes do ponto de vista nutricional ou ambiental. O objetivo do presente trabalho foi avaliar os teores de Br, Cl, K, Mg, Mn e V em amostras de mexilhões Perna perna (Linnaeus, 1758: Mollusca, Bivalvia) coletados em regiões costeiras de São Paulo sujeitas à contaminação antrópica (Ponta de Itaipu e Ilha das Palmas, em Santos), comparando os valores obtidos nos sítios possivelmente impactados com os valores do sítio controle situado na Praia da Cocanha, em Caraguatatuba. Os pontos de coleta no litoral de São Paulo estão localizados nas regiões geográficas 23º 37 S 45º 24 W (Caraguatatuba) e 23º 57\' S - 46º 20\' W (Santos). A coleta dos organismos foi realizada em todas as estações do ano, com início na primavera de 2008 e término no inverno de 2009. As amostras coletadas foram limpas, trituradas, homogeneizadas e secas por meio da liofilização para posterior INAA. O procedimento de INAA consistiu em irradiar alíquotas das amostras obtidas na forma de pó em invólucros de polietileno no reator nuclear IEA R1 do IPEN/CNEN - SP juntamente com padrões sintéticos de elementos. O tempo de irradiação no reator foi de 8 a 10 s e sob o fluxo de nêutrons térmicos de 6,6 x 1012 n cm-2 s-1. As concentrações dos elementos foram calculadas pelo método comparativo. O procedimento de INAA foi validado com relação à exatidão e precisão, por meio das análises dos materiais de referência certificados NIST SRM 1566b Oyster Tissue e NIST SRM 2876 Mussel Tissue. Os resultados destes materiais de referência certificados indicaram uma boa qualidade dos resultados com relação à precisão e exatidão. As faixas das concentrações (em base seca) dos elementos obtidos nos mexilhões coletados em Santos e na Praia da Cocanha para as quatro estações do ano foram de: 173,80 a 358,99 mg kg-1 para Br; 45658 ± 1811 a 109166 ± 824 mg kg-1 para Cl; 7043 ± 856 a 12506 ± 675 mg kg-1 para K; 2774 ± 211 a 5691 ± 717 mg kg-1 para Mg; 7,01 ± 0,30 a 29,74 ± 3,32 mg kg-1 para Mn e 0,77 ± 0,02 a 3,43 ± 0,28 mg kg-1 para V. Foi estudada a variação sazonal e espacial das concentrações desses elementos e também foram comparados esses resultados com valores da literatura. A partir dos resultados obtidos pode - se concluir que os mexilhões da espécie Perna perna, podem ser utilizados como biomonitores da contaminação marinha. / The coastal environment has been heavily altered by multiple environmental impacts of human activities, such as disposal of sewage from urban areas, the release of numerous chemical industries, agriculture and the flow of vessels, which can lead to accidental spills of oil and oil products, fuels and other products transported by sea. In this context, a means of determining concentrations of these potentially toxic substances in the sea water is the biomonitoring by means of different types of bivalves, which have been used by various researchers, in Brazil and other countries. With regard to bivalve mollusks, particularly mussels, their use in monitoring the marine contamination is mainly due to their wide geographic distribution, sessile habit and ability to concentrate toxic metals to 102-105 times in relation to the concentrations detected in water. In the present study, we employed the passive biomonitoring using the Perna perna bivalve mollusk with respect to the elements Br, Cl, K, Mg, Mn and V. These elements were chosen since they can be determined by INAA method (Instrumental Neutron Activation Analysis), by means of short irradiation which provides faster analyzes and also due to their importance from the standpoint of environmental or nutritional studies. The aim of this study was to evaluate the content of Br, Cl, K, Mg, Mn and V in samples of Perna perna mussels (Linnaeus, 1758: Mollusca, Bivalvia) collected in coastal regions of São Paulo subject to anthropogenic contamination (Ponta de Itaipu and Palmas Island, in Santos), comparing the values obtained in sites potentially impacted with the values of the control site in Praia da Cocanha, in Caraguatatuba. The collection points located in São Paulo coast are located in the geographical areas 23º 37\'S - 45° 24\' W (Caraguatatuba) and 23º 57\'S - 46º 20\' W (Santos). The collection of organisms was performed in all seasons of the year, beginning in spring 2008 and ending in winter 2009. The samples were cleaned, crushed, homogenized and dried by lyophilization for further analysis by INAA. The INAA procedure consisted of irradiating aliquots of the samples obtained in powder form in polyethylene envelopes in the nuclear research reactor IEA - R1 of IPEN / CNEN - SP together with synthetic standards of elements. The irradiation time in the reactor was 8 to 10 s under the thermal neutron flux of 6.6 x 1012 n cm-2 s-1. The concentrations of the elements were calculated using the comparative method. The INAA procedure was validated with respect to accuracy and precision, through the analysis of certified reference materials NIST SRM 1566b Oyster Tissue and NIST SRM 2876 Mussel Tissue. The results of these certified reference materials indicated good quality of results with respect to precision and accuracy. The ranges of concentrations (dry basis weight) of the elements obtained in mussels collected in Santos and Praia da Cocanha for the four seasons of the year were: 173.80 to 358.99 mg kg-1 for Br; 45658 ± 1811 to 109166 ± 824 mg kg-1 for Cl; 7043 ± 856 to 12506 ± 675 mg kg-1 for K; 2774 ± 211 to 5691 ± 717 mg kg-1 for Mg; 7.01 ± 0.30 to 29.74 ± 3.32 mg kg-1 for Mn and 0.77 ± 0.02 to 3.43 ± 0.28 mg kg-1 for V. The seasonal and spatial variations of the concentrations of these elements were studied and the values compared to the literature. From the results obtained it can be concluded that the species of Perna perna mussels, can be used as biomonitors of marine contamination.

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This study describes the technique and procedures used for the simultaneous determination of elements involved in Instrumental Neutron Activation Analysis, applied to some geological samples as a sensitive and non-destructive tool. Using Isotopic Neutron Source, the delayed gamma-rays emitted due to neutron capture have been applied for the investigation of the elemental constituents and concentrations of major, minor and trace elements in such samples. The experimental investigations were carried out at the scale of researcher's practices at the chosen site by measuring soil/rock nutrient contents from hydrologically isolated farmland/site plots. Using detailed sampling procedures with special precautions, against contaminations, to yield meaningful results, soil/rock samples have been collected from selected areas of East Gojjam, pulverized, homogenized and prepared for irradiation. The samples were properly prepared together with known standards of potassium iodide or cupric sulphate or arsenic trioxide (one /or both at a time), and simultaneously irradiated in to isotopic neutron ux in the same irradiation position. After activation, the samples were subjected to gamma-ray spectrometry, using a high-purity germanium detection system and computerized multichannel analyzer. The gamma-ray spectra from the irradiated samples were measured by high resolution gamma-ray spectrometry with a calibrated germanium detector. Both qualitative and quantitative approach to data collection and analysis were used in order to gain insight into what should be acceptable to the community. The results obtained have a practical interest in view of possible applications to the technology of extraction and exploration of a variety of industrial, metallic, cement minerals, and geothermal energy and coal deposits. These results tend to agree with the lowest values reported in the literature, and the analytical precision is su cient for the determination of the standard deviation of the distribution of all elements in East Gojjam and these results were brie y discussed within the text of this research work. In carrying out the analysis, the best and most convenient method being the Instrumental and /non-destructive Neutron Activation Analysis was adopted, and NAA has matured and attained analytical competence providing not only rapid, quantitative, qualitative, simultaneous, multi􀀀element analysis but also crucial validation support to programmes using di erent analytical techniques. This method of analysis is generally multi-element and experimental conditions can be designed to be non􀀀destructive to the sample, and it plays a leading role among analytical techniques in the eld of environmental research related to human, animal and plant health. Studies of di erent radionuclide and trace elements in the environmental samples are very important for health physics, research and education. Many forms of elements are possible in environmental samples which may be hazardous for human being, animals and also plants. Most of them have the potential for both benefcial and harmful effects / Environmental Sciences / D. Phil. (Environmental Science)

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Made available in DSpace on 2014-10-09T12:52:23Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:01:36Z (GMT). No. of bitstreams: 0 / Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) / Dissertação (Mestrado) / IPEN/D / Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP / FAPESP:03/03387-1

Made available in DSpace on 2014-10-09T12:42:21Z (GMT). No. of bitstreams: 0 / Made available in DSpace on 2014-10-09T14:02:08Z (GMT). No. of bitstreams: 0 / Tese (Doutoramento) / IPEN/T / Instituto de Pesquisas Energeticas e Nucleares - IPEN-CNEN/SP