Well productivity controlling factors in crystalline terrains of southeastern Brazil

Over the last decades, increasing water demands have fostered research to obtain high well yields in crystalline terrains where, besides the intrinsic properties of rocks, the groundwater flow depends on several factors. The depth of the wells, the lithotypes, the presence and thickness of sedimentary coverings and weathered layers, the landforms, the geological structures, and the effects of tectonic stresses are among the most investigated factors considered as determinant of well productivity. The influence of these factors on productivity of wells that exploit the Crystalline Aquifer System in the Jundiai-River Catchment, southeastern Brazil, is investigated in this work. The largest region of the studied area is located on the Precambrian Basement, partially covered by sedimentary deposits. The results show that the sedimentary deposits and the weathered layer are important for high well yield, but it also depends on the existence of a net of open fractures, in order to maintain high productivity. The sites that have more possibility of occurrence of such structures are the regional shear and fault zones and other minor structures with NW-SE and E-W directions, which characterize areas subjected to transtensional stress related to the neotectonics.

Caracterização geológico-geofísica do meio aqüífero fissural : uma contribuição aos modelos de fluxo e armazenamento de água subterrânea

Northeastern Brazil is mainly formed by crystalline terrains (around 60% in area). Moreover, this region presents a semi-arid climate so that it is periodically subject to drought seasons. Furthermore, ground water quality extracted fromwells usually presents poor quality because of their high salinity contents. Nevertheless, ground water is still a very important source of water for human and animal consumption in this region. Well sitting in hard rocks terrains in Northeastern Brazil offers a mean success index of aboul 60%, given that a successful siting is defined by a well producing at least 0.5 m³/h. This low index reveals lack of knowledga about the true conditions of storage and percolation of ground water in crystalline rocks. Two models for structures storing and producing ground water in crystalline rocks in Northeastem Brazil have been proposed in the literature. The first model,tradnionally used for well sitting since the sixties are controlled by faults or fractures zones. This model is commonly referred, in Brazilian hydrogeological literature, as the "creek-crack" model (riacho-fenda in Portuguese). Sites appearing to present dense drainage network are preferred for water well siting - particularly at points where the drainages cross-cul each other. Field follow up work is usually based only on geological criteria. The second model is the "eluvio-alluvial through" (calha eluvio-aluvionar in Portuguese); it is also described in the literature but it is not yet incorporated in well sitting practice. This model is based on the hypothesis that reclilinear drainages can also be controlled by the folietion of the rock. Eventually, depending upon the degree of weathering, a through-shaped structure filled with sediments (alluvium and regolith) can be developed which can store and water can be produced from. Using severalfield case studies, this Thesis presents a thorough analysis ofthe two above cited models and proposes a new model. The analysis is based on an integrated methodological approach using geophysics and structural geology. Both land (Resitiviy and Ground Penetrating Radar- GPR) and aerogeophysical (magnetics and frequency domain eletromagnetics) surveys were used. Slructural analysis emphasized neolectonic aspects; in general, itwas found that fractures in the E-W direction are relatively open, as compared to fracturas inthe N-S direction, probably because E-W fractures were opened by the neotectonic stress regime in Northeastern Brazil, which is controlled by E-W compression and N-S extension. The riacho-fenda model is valid where drainages are controlled by fractures. The degree of fracturing and associated weathering dictale the hydrogeological potential of the structure. Field work in structural analogues reveals that subvertical fractures show consistent directions both in outcrop and aerophotograph scales. Geophysical surveys reveal subvertical conductive anomalies associated to the fracture network controlling the drainage; one of the borders of the conductive anomaly usually coincide wih the drainage. An aspect of particular importance to the validation of fracture control are the possible presence of relalively deep conductive anomalies wihoul continuation or propagalion to the surface. The conductive nature of lhe anomaly is due to the presence of wealhered rock and sedirnenls (alluvium and/or regolilh) storing ground waler which occur associated to the fracture network. Magnetic surveys are not very sensisnive to these structures.lf soil or covering sedirnents are resislive (> 100 Ohm.m), GPR can ba used to image precisely lhe fracture network. A major limialion of riacho-fenda model, revealed by GPR images, is associated to the fact thal subhorizontal fractures do play a very important role in connecting the fracture network, besides connect shallow recharge zones to relalively deep subvertical frecture zones. Iffractures play just a secondary control on the drainage, however, r/acho-fenda model may have a very limiled validny; in these cases, large portions oflhe drainage do nol coincide wilh frectures and mosl oflhewells localed in lhe drainage surrounding would resull dry. Usually, a secondary conlrol on lhe drainage by Ihefraclure networkcan be revealed only wilh detailed geophysical survey. The calha elClv1o-aluvlonarmodel is valid where drainages are conlrolled by folialion. The degree 01 wealhering 01 lhe lolialion planes dictales lhe hydrogeological polenlial 01 lhe slruclure. Outcrop analysis reveals Ihal lolialion and drainage direclions are parallel and Ihal no Iraclures, orfraclures wilh diflerent directions 01 lhe drainage direclion occur. Geophysical surveys reveal conduclive anomalies in a slab lorm associaled 10 lhe Ihrough 01 lhe wealhered rock and sedimenls (alluvium and/or regolith). Magnelic surveys can ofler a very good conlrol on lolialion direclion. An importanl aspect 10 validale lolialion conlrol are lhe presence 01 conductive anomalies showing shallow and deep portions area which are linked. Illhere is an exlensive soil cover, r/acho-fenda and calha eIClv1o-aluv/onar conlrols can be easily misinlerpreled in lhe absence 01 geophysical conlrol. Certainly, Ihis lacl could explain at leasl a part of lhe failure index in well sitting. The model wealhering sack (bolsllo de Intempertsmo in Portuguese) is proposed to explain cases where a very inlensive wealhering occur over lhe crystalline rock so Ihal a secondary inlerslilial porosity is crealed. The waler is Ihen stored in lhe porous of lhe regolilh in a similar mannerlo sedimentary rocks. A possible example ofthis model was delecled by using land geophysical survey where a relalivelyvery deep isolaled conduclive anomaly, in a slab form, was delected. Iflhis structure does store ground waler, certainly Ihere must be a link 01 lhe deep slructure wilh lhe surface in orderlo provide walerfeeding. This model mighl explain anomalous waler yields as greal as 50 m³/h Ihalsomelimescan occur in crystalline rocks in Northeaslern Brazil

Reavaliação de critérios estruturais na hidrogeologia de terrenos cristalinos, com ênfase na neotectônica e sensoriamento remoto

Hydrogeological prospecting in Northeast Brazil and in other crystalline terrains has been developed on the basis of structural and regional geology concepts that date back to the 50-60 decades and, as such, demand a natural re-evaluation and update. In this kind of terrain, the percolation and accumulation of ground water are controlled by fractures and other types of discontinuities, such as foliations and geological contacts that, through weathering, impart porosity and permeability to the rocks, allowing water flow and storage. Several factors should be considered in the process of locating water wells, as discussed in the literature. Among these, the kind of structures, fracture geometry (including aperture and connectivity) and their geological and chronological context. It is important to correlate fracture systems with the regional neotectonic framework. Fractures at low angle (sub parallel) with the principal stress axis (s1) are those which tend to open (actually they work as tension joints) and, in principle, would present major hydric potential; in the opposite side, fractures at high angle to s1 would behave as closed by a compressional component. Fractures diagonal to the compression and tension axes correspond to shear fractures and, due to their connectivity with second fractures, are also important in terms of hydric potential. Uplift followed by terrain denudation leads to decompression and a general tendency to open (aided by weathering processes) fractures and other rock discontinuities, at different orientations. Low angle fractures, formed in this context, are equally important to increase connectivity, collection of water and recharge of the aquifer systems. In a general way, an opening component (neotectonic or by terrain decompression) and several models to increase fracture connectivity correlate with a greater hydric potential of these structures. Together with parallel research, this thesis addresses models of ground water occurrence in crystalline terrains, either improving well established concepts like the (Riacho-Fenda model), but also stressing other possibilities, like the role of alluvium and paleo-regoliths (the Calha Elúvio-Aluvionar model) and of strongly altered, permo-porous zones placed at variable depths below the present surface, flanking several types of discontinuities, especially interconnected fracture arrays (the Bolsões de Intemperismo model). Different methodological approaches are also discussed in order to improve success rates in the location of water wells in crystalline terrains. In this methodological review, a number of case studies were selected in the eastern domain of the State of Rio Grande do Norte, involving the localities of Santa Cruz, Santo Antônio, Serrinha, Nova Cruz, Montanhas, Lagoa de Pedras and Lagoa Salgada. Besides the neotectonic analysis of brittle structures, this Thesis addresses the validation of remote sensing as a tool for ground water prospecting. Several techniques were tested in order to detect and select areas with higher potential for ground water accumulation, using Landsat 5-TM and RADARSAT images, besides conventional aerial photos. A number of filters were tested to emphasize lineaments in the images, improving their discrimination, to identify areas with higher overburden humidity, which could reflect subsurface water accumulation, as well as alluvium and other sedimentary covers that might act as recharge zones. The work started with a regional analysis with the orbital images, followed by analysis of aerial photos, up to a detailed structural study of rock exposures in the terrain. This last step involved the analysis of outcrops surrounding wells (in a ray of approximately 10 to 100 m) with distinct productivities, including dry examples. At the level required for detail, it was not possible to accomplish a statistical approach using the available well data catalogs, which lack the desired specific information. The methodology worked out in this Thesis must undergo a testing phase through location of new water wells. An increase in the success rates as desired will led to a further consolidation step with wider divulgation of the methodology to private companies and governmental agencies involved in ground water prospecting in crystalline terrains

Structural control over well productivity in the Jundiaí River Catchment, Southeastern Brazil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Mathematical models for describing the shape of the in vitro unstretched human crystalline lens

We developed orthogonal least-squares techniques for fitting crystalline lens shapes, and used the bootstrap method to determine uncertainties associated with the estimated vertex radii of curvature and asphericities of five different models. Three existing models were investigated including one that uses two separate conics for the anterior and posterior surfaces, and two whole lens models based on a modulated hyperbolic cosine function and on a generalized conic function. Two new models were proposed including one that uses two interdependent conics and a polynomial based whole lens model. The models were used to describe the in vitro shape for a data set of twenty human lenses with ages 7–82 years. The two-conic-surface model (7 mm zone diameter) and the interdependent surfaces model had significantly lower merit functions than the other three models for the data set, indicating that most likely they can describe human lens shape over a wide age range better than the other models (although with the two-conic-surfaces model being unable to describe the lens equatorial region). Considerable differences were found between some models regarding estimates of radii of curvature and surface asphericities. The hyperbolic cosine model and the new polynomial based whole lens model had the best precision in determining the radii of curvature and surface asphericities across the five considered models. Most models found significant increase in anterior, but not posterior, radius of curvature with age. Most models found a wide scatter of asphericities, but with the asphericities usually being positive and not significantly related to age. As the interdependent surfaces model had lower merit function than three whole lens models, there is further scope to develop an accurate model of the complete shape of human lenses of all ages. The results highlight the continued difficulty in selecting an appropriate model for the crystalline lens shape.

Crystallographic characterization of the first reported crystalline form of the potent hallucinogen (R)-2-amino-1-(8-bromobenzo[1,2-b;5,4-b']difuran-4-yl)propane or `bromodragonfly': the 1:1 anhydrous proton-transfer compound with 3,5-dinitrosalicylic acid

The 1:1 proton-transfer compound of the potent substituted amphetamine hallucinogen (R)-1-(8-bromobenzo[1,2-b; 4,5-b']difuran-4-yl)-2-aminopropane (common trivial name 'bromodragonfly') with 3,5-dinitrosalicylic acid, 1-(8-bromobenzo[1,2-b;4,5-b']difuran-4-yl)-2-mmoniopropane 2-carboxy-4,6-dinitrophenolate, C13H13BrNO2+ C7H3N2O7- forms hydrogen-bonded cation-anion chain substructures comprising undulating head-to-tail anion chains formed through C(8) carboxyl O-H...O(nitro) associations and incorporating the aminium groups of the cations. The intra-chain cation-anion hydrogen-bonding associations feature proximal cyclic R33(8) interactions involving both a N+-H...O(phenolate) and the carboxyl O--H...O(nitro)associations. Also present are aromatic pi-pi ring interactions [minimum ring centroid separation, 3.566(2)A; inter-plane dihedral angle, 5.13(1)deg]. A lateral hydrogen-bonding interaction between the third aminium proton and a carboxyl O acceptor link the chain substructures giving a two-dimensional sheet structure. This determination represents the first of any form of this compound and confirms that it has the (R) absolute configuration. The atypical crystal stability is attributed both to the hydrogen-bonded chain substructures provided by the anions, which accommodate the aminium proton-donor groups of the cations and give cross-linking, and to the presence of cation--anion aromatic ring pi-pi interactions.

Transition of synthetic chromium oxide gel to crystalline chromium oxide : a hot stage Raman spectroscopic study

Chromium oxide gel material was synthesised and appeared to be X-ray amorphous. The changes in the structure of the synthetic chromium oxide gel were investigated using hot-stage Raman spectroscopy based upon the results of thermogravimetric analysis. The thermally decomposed product of the synthetic chromium oxide gel in nitrogen atmosphere was confirmed to be crystalline Cr2O3 as determined by the hot-stage Raman spectra. Two bands were observed at 849 and 735 cm-1 in the Raman spectrum at 25 °C, which were attributed to the symmetric stretching modes of O-CrIII-OH and O-CrIII-O. With temperature increase, the intensity of the band at 849 cm-1 decreased, while the band at 735 cm-1 increased. These changes in intensity are attributed to the loss of OH groups and formation of O-CrIII-O units in the structure. A strongly hydrogen bonded water H-O-H bending band was found at 1704 cm-1 in the Raman spectrum of the chromium oxide gel, however this band shifted to around 1590 cm-1 due to destruction of the hydrogen bonds upon thermal treatment. Six new Raman bands were observed at 578, 540, 513, 390, 342 and 303 cm-1 attributed to the thermal decomposed product Cr2O3. The use of the hot-stage Raman microscope enabled low-temperature phase changes brought about through dehydration and dehydroxylation to be studied.

A solvothermal route to crystalline lithium niobate

A solvothermal route for the preparation of crystalline state lithium niobate using Li2 CO3 and Nb2 O5 is developed. Oxalic acid is employed as solvent, which coordinates with niobium oxide to stimulate the main reaction. Scanning electron microscopy images show that the as-prepared sample displays a cubic morphology. X-ray diffraction and IR spectrum of the as-prepared sample indicate that the sample is well crystalline.

Advanced numerical characterization of mono-crystalline copper with defects

Based on the embedded atom method (EAM) and molecular dynamics (MD) method, the mono-crystalline copper with different defects is investigated through tension and nanoindentation simulation. The single-crystal copper nanowire with surface defects is firstly studied through tension. For validation, the tension simulations for nanowire without defect are carried out under different temperatures and strain rates. The defects on nanowires are then systematically studied in considering different defects orientation distribution. It is found that the Young’s modulus is insensitive of surface defects and centro-plane defects. However, the yield strength and yield point show a significant decrease due to the different defects. Specially, the 〖45〗^° defect in surface and in (200) plane exerts the biggest influence to the yield strength, about 34.20% and 51.45% decrease are observed, respectively. Different defects are observed to serve as a dislocation source and different necking positions of the nanowires during tension are found. During nanoindentation simulation, dislocation is found nucleating below the contact area, but no obvious dislocation is generated around the nano-cavity. Comparing with the perfect substrate during nanoindentation, the substrate with nano-cavities emerged less dislocations, it is supposed that the nano-cavity absorbed part of the indent energy, and less plastic deformation happened in the defected substrate.

MRI study of the changes in crystalline lens shape with accommodation and ageing in humans

Magnetic Resonance Imaging was used to study changes in the crystalline lens and ciliary body with accommodation and aging. Monocular images were obtained in 15 young (19-29 years) and 15 older (60-70 years) emmetropes when viewing at far (6m) and at individual near points (14.5 to 20.9 cm) in the younger group. With accommodation, lens thickness increased (mean±95% CI: 0.33±0.06mm) by a similar magnitude to the decrease in anterior chamber depth (0.31±0.07mm) and equatorial diameter (0.32±0.04mm) with a decrease in the radius of curvature of the posterior lens surface (0.58±0.30mm). Anterior lens surface shape could not be determined due to the overlapping region with the iris. Ciliary ring diameter decreased (0.44±0.17mm) with no decrease in circumlental space or forward ciliary body movement. With aging, lens thickness increased (mean±95% CI: 0.97±0.24mm) similar in magnitude to the sum of the decrease in anterior chamber depth (0.45±0.21mm) and increase in anterior segment depth (0.52±0.23mm). Equatorial lens diameter increased (0.28±0.23mm) with no change in the posterior lens surface radius of curvature. Ciliary ring diameter decreased (0.57±0.41mm) with reduced circumlental space (0.43±0.15mm) and no forward ciliary body movement. Accommodative changes support the Helmholtz theory of accommodation including an increase in posterior lens surface curvature. Certain aspects of aging changes mimic accommodation.

Molecular dynamics studies of the effects of branching characteristics on the crystalline structure of polyethylene

Molecular dynamics simulations were carried out on single chain models of linear low-density polyethylene in vacuum to study the effects of branch length, branch content, and branch distribution on the polymer’s crystalline structure at 300 K. The trans/gauche (t/g) ratios of the backbones of the modeled molecules were calculated and utilized to characterize their degree of crystallinity. The results show that the t/g ratio decreases with increasing branch content regardless of branch length and branch distribution, indicating that branch content is the key molecular parameter that controls the degree of crystallinity. Although t/g ratios of the models with the same branch content vary, they are of secondary importance. However, our data suggests that branch distribution (regular or random) has a significant effect on the degree of crystallinity for models containing 10 hexyl branches/1,000 backbone carbons. The fractions of branches that resided in the equilibrium crystalline structures of the models were also calculated. On average, 9.8% and 2.5% of the branches were found in the crystallites of the molecules with ethyl and hexyl branches while C13 NMR experiments showed that the respective probabilities of branch inclusion for ethyl and hexyl branches are 10% and 6% [Hosoda et al., Polymer 1990, 31, 1999–2005]. However, the degree of branch inclusion seems to be insensitive to the branch content and branch distribution.