Nosso trabalho propõe-se a compreender como é formulado o discurso das empresas acerca da responsabilidade social, por meio do entendimento das formações discursivas em conflito, reconhecendo potencialidades e limitações deste discurso. Discute a heterogeneidade de vozes em diálogo, a constituição da cena enunciativa e busca delinear como são construídos os sentidos do discurso das empresas acerca da responsabilidade social. A consecução dos objetivos se deu por meio do método de análise do discurso de linha francesa (AD), a partir de três conjuntos de dados: um conjunto de textos jornalísticos, com ênfase na mídia especializada em negócios; série longitudinal de documentos (balanços sociais) de uma organização com destacada ação socioambiental; entrevistas realizadas com profissionais que atuam nas áreas de responsabilidade social de grandes organizações. Os resultados indicam que o discurso das empresas a respeito do social constitui-se a partir da oposição entre duas formações discursivas concorrentes, a gerencial e a política, e tem sua identidade definida pela negação e construção de simulacros do marketing, da filantropia, e, sobretudo, do conflito, como forma política de lidar com as questões sociais. / Through the study of conflicting discursive formations this work aims at understanding how corporate discourse on social responsibility is constructed, taking into account its potentialities and limitations. It discusses the heterogeneity of dialogic voices and the constitution of the enunciative scene in an effort to outline how meaning is produced within such discourse. These objectives were attained by applying the methodology of Discourse Analysis (DA), particularly the French tradition in this field, to three types of data: journalistic texts, especially those from the business media; a series of documents (reports on social impact) from an organization widely known for its environmental concern; and interviews with professionals involved with social responsibility policies in large organizations. The results indicate that corporate discourse on social issues is constituted by two opposing discursive formations, one managerial and the other political. Its identity is defined by negation and construction of marketing simulacrum, by philanthropy, and above all by conflict as the political path to deal with social issues.

Ao sul da cidade de Corumbá, MS, ocorrem imponentes elevações topográficas constituídas por depósitos sedimentares neoproterozóicos do Grupo Jacadigo. Nessas montanhas, cujo conjunto é referido como Maciço do Urucum, assentam-se discordantemente sobre o embasamento rochas siliciclásticas da Formação Urucum com espessuras máximas da ordem de 200 a 300m. A seção continua com depósitos mistos de componentes siliciclásticos e GIFs (granular iron formations), por aproximadamente 100m, e com mais 300m de predomínio de BIFs (banded iron formations). Na periferia do Maciço do Urucum ocorrem rochas carbonáticas do Grupo Corumbá, principalmente das formações Bocaina e Tamengo. Foi esse o conjunto de rochas abordado no presente trabalho por estudos sedimentológicos e estratigráficos em escala de detalhe. A análise integrada de fácies e paleocorrentes permitiu interpretar os mecanismos tectônicos geradores de espaço de acomodação, a orientação da bacia sedimentar, a estruturação de seu preenchimento, implicações geotectônicas regionais e para modelos de deposição de formações ferríferas. Para o preenchimento da bacia, definida na presente dissertação como Bacia Jacadigo, foram interpretados 6 sistemas deposicionais: (I) sistemas de leques aluviais; (II) sistema lacustre; (III) sistema fluvial entrelaçado; (IV) sistema de corpo dágua principal; (V) sistema de fluxos gravitacionais subaquáticos; e (VI) sistema de plataforma carbonática. Esses sistemas foram classificados em 3 tratos tectônicos, sendo os 3 primeiros sistemas deposicionais, essencialmente siliciclásticos e continentais, referentes ao trato de iniciação do rift; os sistemas de corpo dágua principal e de fluxos gravitacionais associados correspondentes ao clímax do rift; e a plataforma carbonática referente ao pós-rift. Esse último caracterizado pela transição entre as formações Urucum e Bocaina, de modo que a classificação em tratos tectônicos reflete os significados geodinâmicos dos grupos Jacadigo e Corumbá. A distribuição espacial dos sistemas deposicionais e dos padrões de paleocorrentes levou à interpretação de uma orientação WNW-ESE para a zona de falhas mestras da Bacia Jacadigo. Essa interpretação implica na correlação do Grupo Jacadigo com a Faixa Chiquitos-Tucavaca e não com a Faixa Paraguai como proposto anteriormente. A distribuição das unidades neoproterozóicas no contexto geotectônico das faixas Chiquitos-Tucavaca e Paraguai levou a corroboração de um posicionamento adjacente da Bacia Jacadigo a uma junção tríplice supostamente soerguida por plumas mantélicas. Toda a sucessão do Grupo Jacadigo mais a sucessão do Morro do Puga, usualmente interpretadas como produtos de processos sedimentares sob influência glacial, foram interpretadas como resposta da sedimentação à tectônica na Bacia Jacadigo, sem necessariamente associação com processos glaciais. Foram distinguidos elementos estruturais da tectônica deformadora daqueles relativos à tectônica formadora do Grupo Jacadigo e sugerida uma conformação braquianticlinal das rochas aflorantes na área urbana de Corumbá, no Maciço do Urucum e nas áreas adjacentes. / At the south of Corumbá, Mato Grosso do Sul state, there are huge topographic elevations made of Jacadigo Groups neoproterozoic sedimentary deposits. Those mountains are known as Maciço do Urucum. The basal unit named Urucum Formation is composed by siliciclastic rocks with maximum thickness of 200 to 300m. The sucession continues with mixed GIF (granular iron formation) and siliciclastic deposits for approximately 100m, and more 300m of almost only BIFs (banded iron formations). In the surroundings of Maciço do Urucum there are carbonatic rocks from the Corumbá Group, mainly from Bocaina and Tamengo formations. This research presents detailed information about sedimentology and stratigraphy of the Maciço do Urucum area and surrounding rocks. The integrated facies and paleocurrents analysis produced the following interpretations: tectonic mechanisms responsible for accommodation spaces, sedimentary basin orientation, filling styles, regional geotectonic implication and iron formation depositional models. About the filling style, six depositional systems of the here named Jacadigo Basin were interpreted: (I) alluvial fan system; (II) lacustrine system; (III) fluvial braided system; (IV) main water body system; (V) subaquatic gravitational flow system; and (VI) carbonate platform system. Those systems were classified in three tectonic system tracts. The first three depositional systems are made of continental siliciclastics and refer to the rift initiation; the main water body and associated gravitational flow systems corresponds to the rift climax; and the carbonate platform to the post rift. The post rift is characterized by the transition between Urucum and Bocaina formations. This transition reflects the geodynamic significance of Jacadigo and Corumbá groups. The spatial distribution of the depositional systems and associated paleocurrent patterns indicated a WNW-ESE orientation to the master fault zone of Jacadigo Basin. This interpretation implies the correlation of Jacadigo Group and Chiquitos-Tucavaca Belt instead of Paraguai Belt, as proposed before. The neoproterozoic units distribution at the geotectonic context of Chiquitos-Tucavaca and Paraguai belts corroborated the adjacent position of Jacadigo Basin to a triple junction supposedly a plume generated uplift. Rocks of Jacadigo Group and Morro do Puga, usually interpreted as glacial deposits, are interpreted here as sedimentation response to tectonics with no necessary relation to glacial processes. Deformation and formation tectonic structural elements were distinguished and a braquianticlinal structure is suggested for the units in the Corumbá and Maciço do Urucum area.

M.Tech. (Extraction Metallurgy) / The discovery of gold at Langlaagte in 1886 led to the development of gold mining in the Far West Rand in 1934. When shafts were sunk, water from the dolomites posed a serious threat to mining. Despite cementation that sealed the many fissures, water still found its way into the underground workings. This led to the “uniform” policy of dewatering. The farming communities in the area that were dependent on the ground water had to be considered, as they had lost their livelihood. As the water levels lowered, dolines and sinkholes were formed, posing a serious threat to life and property. When the mines eventually cease to operate, be it due to high working costs, or the declining grade of the ore body, the re-watering of the dolomitic compartments will occur as a natural consequence. When water comes to within six metres of the original water level, ground instability, the formation of dolines and sinkholes, both new and existing, will occur, threatening the important rail link between Pretoria and Cape Town as it passes through Far West Rand, as well as the N12 between Johannesburg and Potchefstroom, as well as the N14 which lies to the east connecting the Gauteng Province and the North West Province. The dewatering of the compartments caused the soil which formed the roof of the cavities to dry. Re-watering will cause this dry, stable material to become wet and unstable. Where mixtures of slime and/or other material, which is not part of the geological composition of that area was used, the same phenomenon will apply. A further complication is caused by the slimes dams which are unlined. In fact, some of the slime dams were deliberately constructed over cavernous dolomite. This large mass of mine tailings over the dolomitic aquifers will “liquefy”. If the re-watering is not carefully managed the rising water table will undoubtedly trigger a rash of new sinkholes, with catastrophic consequences for unsuspecting communities that may have been established in sensitive areas. The results of previous investigations by the Departments Minerals, Energy and Water Affairs who, due to the loss of institutional memory, might not be able to find the relevant information. Other organizations such as the Council for Geoscience could be using the results for consultancy. The information should be digitized and be available to the broader South African public. FWRDWA is currently in charge of monitoring events in the area. Levelling observations have been carried out quarterly and, so far the movement of ground is minimal. The potential hazard of ground instability will recur with the re-watering of the dolomitic compartments of the Far West Rand. To support what could happen, reference is made to events which took place in the late seventies when the Far West Rand had an above average rainfall. The Donaldson Dam overflowed into the Wonderfontein Spruit and into the dewatered Venterspost compartment. As a result, the water level of the Venterspost Compartment rose rapidly which led to the re-activation of sinkholes and the formation of new ones in the Venterspost area. In the present work levelling has been carried out along most of the loops affected and the results of the levelling give an impression that the surface is currently relatively stable. This Dissertation is presented as an attempt to alert the authorities to the potential dangers if the post mining period is not carefully monitored and insufficient provision made to deal with potential contingencies.

No description available.

The geology of the Shamrocke area is described relative to its regional setting and position within the stratigraphic succession of the Lomagundi System. The stratigraphy in the immediate vicinity of the Shamrocke Mine is detailed and discussed relative to the work of others south of the project area and in other regions. The petrography of the rocks of the Shamrocke Mine area is described and the results of a great deal of mineralogical work recorded. Maps of the project area are presented at various scales from field and photogeological evidence. The thesis area is situated on the South Zambezi Escarpment of Rhodesia, and the geology described included the basaI succession of the Lomagundi System and the pre-Lomagundi Escarpment Series. The Shamrocke Mine is located on a copper orebody associated with a granulite or granofels zone within the Dolomite Series of the Lomagundi System. This ore zone granulite appears to be a metasomatised calcareous grit some 1000 feet above the upper contact of the Deweras Series (basal Lomagundi) and, within the graphitic schist and phyllite, below a dolomitic horizon in the Dolomite Series. The Lomagundi succession in the Mine area unconformably overlies the pre-Lomagundi gneiss and meta-arkose of the older, metamorphosed and deformed Escarpment Series. The basal meta-arkose, meta-quartzite and coarse schist of the Deweras Series ascends southwards through the Dolomite Series (graphitic phyllite and schist, granulite, calcareous grit, dolomite, limestone), and the Argillaceous Series (schist, phyllite, quartzite), the beds dipping steeply to the south at an angle of between 50º and 70º. Post-Lomagundi plagioclase amphibolite (altered, intrusive meta-diabase) forms Iarge semi-concordant and transgressive sills throughout the area, particularly along the contact between the Deweras and Dolomite Series. The Shamrocke Mine is on the northern limb of a large synclinal structure, the Rusere Syncline, which forms a large embayment of Lomagundi rocks into the pre-Lomagundi gneisses and granodiorites northeast from the Mine. The fold is overturned to the east and southeast. The copper mineralisation within the area and in the areas to the south is considered to be invariably associated with the basal rocks of the Lomagundi System. It occurs within both the Deweras and Dolomite Series rocks and more often than not Iies close to the contact between these two Series. The sulphide mineralisation of the Shamrocke orebody is considered, from the results of the present study, to be metasomatically emplaced during carbonate metasomatism, either from an extraneous source or from within the ore zone rock itself. The present writer favours the origin of the copper sulphide to be original syngenetic sulphide of the basal rocks of the Lomagundi depository, which has been mobilised and metasomatically relocated, possibly by the effects of regional metamorphism related to intense deformation. It is perhaps not fortuitous that the majority of the copper occurrences in the area occur where the basaI beds of the succession have been cross-folded. The copper ore comprises a simple suite of minerals, the main constituents being chalcopyrite, cubanite and pyrrhotite. The deposit is compared relative to the other copper deposits of the Lomagundi System.

This study is an account of the stratigraphic sequence, the petrography, mineralogy (microprobe investigations of orthopyroxene, clinopyroxene, olivine and plagioclase feldspar), and whole-rock major- and traceelement geochemistry of the silicate cumulates of the Upper Critical Zone in the western Bushveld Complex. Two parts of the study - an investigation of a 350m column incorporating the MG3 and UGI Footwall Units, and a comparison of two additional Upper Critical Zone profiles with a previously compiled profile between the UGI and Bastard Units - are focused on RPM Union Section in the northwestern sector of the Complex. The third part is a detailed vertical and lateral investigation of the Bastard Unit at the top of the Critical Zone, which draws on sampling and data compilation from seventeen profiles in the western limb of the Complex. The MG3 Unit (45m) is made up of a lower chromitite layer overlain by a norite-pyroxenite-anorthosite sequence while the UGlFW Unit (295m) is composed of a related series of lower chromitite layers (MG4) overlain by a pyroxenite-norite-anorthosite sequence capped by the UGI chromitite layer. These mafic cumulates display a distinctive pattern of oscillating cryptic variation in whole-rock Mg/(Mg+Fe), FeO/Ti0₂, Cr/Co and Ni/V ratios through the sequence. Sympathetic oscillations are recorded for compositions of orthopyroxene and plagioclase feldspar and eight subcycles are recognised through the UGlFW Unit. The entire sequence is characterised by the presence of small, spheroidal, embayed and irregularly shaped plagioclase grains which are poikilitically enclosed in cumulus orthopyroxene grains of both pyroxenites and norites. This texture is indicative of partial resorption of pre-existing feldspar primocrysts within the melt prior to their being incorporated into the host orthopyroxene grains. Textural, geochemical and isotopic data suggest that this sequence was built up by periodic additions of fresh, relatively primitive liquid into fractionated resident liquid, and subsequent mixing within the magma chamber. The Bastard Unit sequence, described in Chapter 4, is the last and most complete cyclic unit (c. 60m) of the Critical Zone, and its upper contact defines the boundary between the Critical and Main Zones of the Complex. This Unit can conveniently be sub-divided into a lower part, where orthopyroxene occurs as a cumulus phase, and the upper part which is composed entirely of anorthosite (Giant Mottled Anorthosite). The basal part of the Unit (≤ 18m) comprises a thin chromitite layer < O.5cm) overlain by a pyroxenite-melanorite-norite-leuconorite sequence. The basal pyroxenite is orthocumulate in character and rapidly gives way to norites and leuconorites. A distinct threefold subdivision emerges within the Giant Mottled Anorthosite which is predominantly an adcumulate which becomes orthocumulate in character at its top. Apart from minor deviations in thicknesses these lithologies are recorded over the entire strike-length covered in this study. Profiles of cryptic variation are compiled for orthopyroxene, plagioclase and whole-rock data and show that the Bastard Unit displays a characteristic pattern which is maintained throughout the western Bushveld Complex. A minor yet distinctive reversal in cryptic variation is revealed at a level which is stratigraphically variable within the lower Giant Mottled Anorthosite, and results in a double cuspate pattern. A remarkable feature of the basal Bastard pyroxenites is that although the modal proportion of mafic to felsic constituents varies systematically away from the northwestern sector, the Mg/(Mg+Fe) ratio of orthopyroxenes remains constant at 0.804 over a lateral strike distance of 171km. Within the upper part of the Unit the orthopyroxene is markedly Fe-rich and it is here that inverted primary pigeonite appears for the first time as a cumulus phase. In addition, K-feldspar, oscillatory zoned plagioclase grains and high levels of incompatible trace elements are noted at this level. On the basis of the data presented it is concluded that the Bastard Unit represents the crystallisation of a final, relatively large influx of hotter primitive liquid, with upper Critical Zone affinities, and subsequent mixing with a column of cooler (less dense) supernatant liquid which had in part hybridized with the overlying Main Zone magma. It is hypothesised that this new liquid was emplaced as a basal flow beneath supernatant liquid and that it initiated the deposition of mafic cumulates at its base. The supernatant liquid is interpreted as representing the fractionated residuum produced by crystallisation of earlier cyclic units, with plagioclase on the liquidus, and that it contained an abundance of small plagioclase primocrysts in suspension. Development of the Unit can be viewed as a two-stage process. In the lower half of the unit, chemical and physical parameters typical of the new magma dominated the crystallisation process, and resulted in cumulates very similar to other relatively complete Upper Critical Zone units. In the upper, leucocratic sequence, above a minor reversal, crystallisation was from a liquid which was the product of mixing of a minor pulse of primitive liquid with the reservoir of hybridized supernatant liquid. Although the Bastard Unit is not continuous around the entire Western limb of the Complex, it is concluded that it developed in a single, or connected, magma chamber and that its irruptive feeder zone was located in the proximal northwestern facies of the Complex.

La cartographie du couvert végétal est un outil essentiel au suivi et à la gestion et des milieux « naturels ». Des cartes caractérisant les essences forestières à l'échelle régionale sont nécessaires pour la gestion des milieux forestiers. Les séries temporelles d'images satellitaires optiques à moyenne résolution spatiale, peuvent permettre de satisfaire ce besoin. L'objectif de cette thèse est d'améliorer la classification supervisée d'une série temporelle afin de produire des cartes à l'échelle régionale détaillant la composition en essences de la végétation forestière. Nous avons d'abord évalué l'apport de la stratification du site d'étude pour améliorer les résultats de la classification d'une série temporelle d'images MODIS. Le recours à une stratification à partir d'une segmentation orientée objet améliore la classification supervisée, avec une augmentation de la valeur de Kappa et du taux de rejet des pixels à classer. Un seuil minimal et un seuil maximal de la surface de végétation à classer ont été identifiés, correspondant respectivement à un taux de rejet trop élevé et à une absence d'effet de la stratification. Nous avons ensuite évalué l'influence de l'organisation de la série temporelle d'images à moyenne résolution spatiale et du choix de l'algorithme de classification. Cette évaluation a été effectuée pour trois algorithmes (maximum de vraisemblance, Support Vector Machine, Random Forest) en faisant varier les caractéristiques de la série temporelle. On observe un effet de la temporalité et de la radiométrie sur la précision de la classification particulièrement significatif et la supériorité de l'algorithme Random Forest. Sur le plan thématique, des confusions subsistent et certains mélanges d'essences sont mal distingués. Nous avons alors cherché à évaluer l'apport du changement de résolution spatiale des images composant la série temporelle pour améliorer les résultats de classification. Les conclusions effectuées précédemment avec les données MODIS sont confortées, ce qui permet de conclure qu'elles sont indépendantes des données d'entrée et de leur résolution spatiale. Une amélioration significative est apportée par le changement de résolution spatiale, avec une augmentation de l'indice de Kappa de 0,60 à 0,72 obtenue grâce à la diminution de la proportion de pixels mixtes. Quelle que soit la résolution spatiale des images utilisées, les résultats obtenus montrent que la définition d'une procédure optimale améliore sensiblement les résultats de la classification. / Forest cover mapping is an essential tool for forest management. Detailed maps, characterizing forest types at a régional scale, are needed. This need can be fulfilled by médium spatial resolution optical satellite images time sériés. This thesis aims at improving the supervised classification procédure applied to a time sériés, to produce maps detailing forest types at a régional scale. To meet this goal, the improvement of the results obtained by the classification of a MODIS time sériés, performed with a stratification of the study area, was assessed. An improvement of classification accuracy due to stratification built by object-based image analysis was observed, with an increase of the Kappa index value and an increase of the reject fraction rate. These two phenomena are correlated to the classified végétation area. A minimal and a maximal value were identified, respectively related to a too high reject fraction rate and a neutral stratification impact.We carried out a second study, aiming at assessing the influence of the médium spatial resolution time sériés organization and of the algorithm on classification quality. Three distinct classification algorithms (maximum likelihood, Support Vector Machine, Random Forest) and several time sériés were studied. A significant improvement due to temporal and radiométrie effects and the superiority of Random Forest were highlighted by the results. Thematic confusions and low user's and producer's accuracies were still observed for several classes. We finally studied the improvement brought by a spatial resolution change for the images composing the time sériés to discriminate classes of mixed forest species. The conclusions of the former study (MODIS images) were confirmed with DEIMOS images. We can conclude that these effects are independent from input data and their spatial resolution. A significant improvement was also observed with an increase of the Kappa index value from 0,60 with MODIS data to 0,72 with DEIMOS data, due to a decrease of the mixed pixels rate.

The Mount Ayliff Complex (MAC) is situated on the border between Kwa-Zulu Natal and the Eastern Cape provinces in the Republic of South Africa, approximately 90 km due west of Port Shepstone. The Complex forms part of the Karoo Igneous Province and includes five lobes (Ingeli, Insizwa, Tonti, Tabankulu, and Horseshoe) that are the remnants of a single continuous intrusive sheet that had an original extent of 18,000km2• The current outcrop is estimated at 800km2• The lobes all show extensive internal differentiation, from basal ultramafic cumulates to diorites and monzonites at the top, while most other intrusions in the Karoo Igneous Province cooled rapidly enough to produce relatively homogenous dolerites. Most work conducted on the Complex thus far has centered on the Insizwa lobe due to the presence of a Ni-sulphide occurrence near the base of the lobe at Waterfall Gorge. The setting of the ores has analogies to the Noril'sk-Talnakh deposits, which has raised considerable exploration interest on the Mount Ayliff Complex over the last century. The current study investigates the Ni-Cu sulphide potential of the Ingeli and Horseshoe lobes, which have been poorly studied in the past. To this effect, a stream sediment survey was conducted around the Ingeli lobe to try and detect potentially hidden magmatic sulphide ores. Further, the five lobes of the Complex have been compared in terms of lithology and lithogeochemistry. Analytical techniques used for the current study include: XRF, ICP-MS and electron microprobe. Stream sediment samples were analysed using XRF and ICP-OES. Olivines from the ultramafic cumulates of the Ingeli and Insizwa lobes are undepleted in Ni, whereas olivines from the Horseshoe and Tabankulu lobes are strongly depleted in Ni. This suggests that the rocks of the latter two lobes crystallized from parental magmas that interacted with a sulphide liquid and that the magmatic flow direction was from the north to the south. The data indicate that the ultramafic rocks of the Complex plot on or near control lines between olivine and Karoo dolerite indicating that the rocks are mixtures of cumulus olivine and trapped melt of Karoo dolerite composition. There appears to be a copper enrichment towards the top of the ultramafic package in the Ingeli lobe. This pattern corresponds to other studies conducted in the InsiZWa lobe and suggests that the two lobes had originally been connected. The lowermost cumulates of the Ingeli lobe contain an enhanced crustal component suggesting some in situ contamination. No significant sulphide enrichments were encountered in the Basal Zone rocks of the Ingeli lobe. However, the stream sediment data indicate localized PGE enrichment indicating the possible presence of a localized hidden sulphide occurrence of the type found at Waterfall Gorge. Small amounts of sulphides were found associated with the Basal Zone rocks in the Horseshoe lobe consistent with the trends of Ni-depletion of olivines. However, a lack of Co depletion in the ultramafic rocks of this lobe suggests that any sulphide segregation event that did take place was of a relatively small scale. / Dissertation (MSc)--University of Pretoria, 2006. / Geology / MSc / Unrestricted

The high temperature BCC phase (b) of titanium undergoes a martensitic transformation to HCP phase (a) upon cooling, but can be stabilized at room temperature by alloying with BCC transition metals such as Mo. There exists a metastable composition range within which the alloyed b phase separates into a + b upon equilibrium cooling but not when rapidly quenched. Compositional partitioning of the stabilizing element in as-quenched b microstructure creates nanoscale precipitates of a new simple hexagonal w phase, which considerably reduces ductility. These phase transformation reactions have been extensively studied experimentally, yet several significant questions remain: (i) The mechanism by which the alloying element stabilizes the b phase, thwarts its transformation to w, and how these processes vary as a function of the concentration of the stabilizing element is unclear. (ii) What is the atomistic mechanism responsible for the non-Arrhenius, anomalous diffusion widely observed in experiments, and how does it extend to low temperatures? How does the concentration of the stabilizing elements alter this behavior? There are many other w forming alloys that such exhibit anomalous diffusion behavior. (iii) A lack of clarity remains on whether w can transform to a -phase in the crystal bulk or if it occurs only at high-energy regions such as grain boundaries. Furthermore, what is the nature of the a phase embryo? (iv) Although previous computational results discovered a new wa transformation mechanism in pure Ti with activation energy lower than the classical Silcock pathway, it is at odds with the a / b / w orientation relationship seen in experiments. First principles calculations based on density functional theory provide an accurate approach to study such nanoscale behavior with full atomistic resolution, allowing investigation of the complex structural and chemical effects inherent in the alloyed state. In the present work, a model Ti-Mo system is investigated to resolve these fundamental questions. Particular attention is paid to how Mo- (i) influences the bonding in Ti, (ii) distorts the local structure in the Ti lattice, (iii) impacts the point and interfacial defect formation and migration energies, and (iv) affects the mechanism and energetics of b w and wa transformations. Our results are correlated with appropriate experimental results of our collaborators and those in open literature. The modification of Ti bonding by Mo solutes and the attendant distortion of the lattice hold the key to answering the diverse questions listed above. The solutes enhance electron charge density in the <111> directions and, consequently, stiffen the lattice against the displacements necessary for b w transformation. However, Ti atoms uncoordinated by Mo remain relatively mobile, and locally displace towards w lattice positions. This effect was further studied in a metastable Ti-8.3 at.% Mo system with an alternate cell geometry which allows for either b w or $\betaa transformation, and it was found that after minimization Ti atoms possessed either a or w coordination environments. The creation of this microstructure is attributed to both the disruption of uniform b w transformation by the Mo atoms and the overlap of Ti-Mo bond contractions facilitating atomic displacements to the relatively stable a or w structures in Mo-free regions. The vacancy migration behavior in such a microstructure was then explored. Additionally, several minimized configurations were created with planar interfaces between Mo-stabilized b region and its adjacent a- or w- phases, and it was found that the positioning of Mo at the interface strongly dictates the structure of the adjacent Mo depleted region.

Thesis (M. Sc. (Geology)) -- University of Limpopo, 2021 / The Glentig, Alma and Swaershoek Formations were deposited after the emplacement of the Bushveld igneous complex (BIC). The sediments accumulated in what is termed as the proto-basin of the Waterberg Group. The Glentig Formation is an unconformity-bounded formation that is overlain by the Swaershoek and Alma Formations of the Waterberg Group. This study revisited the stratigraphy and put perception on the petrography, lithofacies, provenance, paleoweathering, tectonic setting and source rock characteristics of the lower parts of Waterberg Group (Swaershoek and Alma Formations) and Glentig Formation. The methodologies employed in achieving the aforementioned goals include stratigraphical analysis, petrographical and modal composition analyses, lithofacies analysis and geochemical analysis. In the study area (northeast of Modimolle town), the Glentig Formation lies or bounded between the Swaershoek Formation and Schrikkloof Formation of the Rooiberg Group. The Glentig, Swaershoek and Alma Formations attained a maximum thickness of about 400 m, 300 m and 190 m, respectively. Based on the stratigraphical analysis, the Swaershoek, Alma and Glentig Formations can be correlated. The basis for the correlation rests solemnly on the similarities in the lithological characteristics that can be found in the three formations. Six facies were identified based on lithofacies analysis. The lithofacies are grouped into 2 facies association (FA1 and FA2). The two facies associations are FA1: Conglomerate and massive sandstone, and FA2: Cross-bedded sandstone, and planar cross-bedded sandstone. Sedimentological characteristics of the identified facies associations are interpreted as debris flow, and longitudinal and transverse bars (fluvial channel deposits). Petrography and modal composition analyses indicate that the detrital components of the sandstones are dominated by monocrystalline quartz, feldspar and lithic fragments. The sandstones of the Swaershoek, Alma and Glentig Formations can be classified as subarkosic arenite and lithic arkosic arenite. Also, provenance analysis indicates that the sandstones are derived from both felsic igneous provenance and intermediate igneous provenance. The modal composition analysis and geochemical tectonic setting discrimination diagrams show that the sediments are from both the passive and active continental margin tectonic settings. Also, the geochemical data of major and trace elements suggested that the studied formations have been derived from the same provenance source area. The indices of weathering indicated that the studied rocks have been subjected to moderate to the high degree of chemical weathering. Keywords: Geology, geochemistry, Glentig, Swaershoek, Alma, Waterberg Group, South Africa / Mining Qualification Authority (MQA)