Molibdatos têm atraído grande atenção devido à existência de compostos com caráter elétrico unidimensional como conseqüência da presença de cadeias contendo ligações de Mo-O ou Mo-Mo em suas estruturas cristalinas. Com o objetivo de estudar molibdatos com esta característica, amostras policristalinas do sistema K-Mo-O foram preparadas pelo método de reação de difusão no estado sólido e caracterizadas por difratometria de raios x, propriedades elétricas e magnéticas. Estes resultados demonstram a existência de uma nova fase neste sistema com estequiometria KxMoO2-&#948;. Medidas da resistência elétrica em função da temperatura deste material mostram comportamento metálico anômalo que está relacionado a um ordenamento antiferromagnético. Foi observado ainda que a anomalia na resistência elétrica em baixas temperaturas (T < TM) comporta-se segundo uma lei de potência com expoente próximo de 0,5, o que sugere que o comportamento elétrico do KxMoO2-&#948; pode ser descrito por um mecanismo de condutividade unidimensional. / Molybdates have attracted great attention due to the existence of compounds which show one-dimensional electrical behavior as consequence of the channel containing Mo-O or Mo-Mo bonds in their crystalline structure. In order to study molybdates exhibiting onedimensional conductivity, polycrystalline samples of the K-Mo-O system were prepared using the solid state diffusion reaction method and characterized by X-ray powder diffractometry, electrical and magnetic properties. These results demonstrate the existence of a new phase in this system with KxMoO2-&#948; stoichiometry. Electrical resistance as a function of temperature measurements for this compound have shown anomalous metallic behavior which is related to an antiferromagnetic ordering. It has been also observed that the anomaly in the electrical resistance at low temperatures (T < TM) is fitted by power law temperature dependence with an exponent near 0.5 which suggests that the electrical behavior of the KxMoO2-&#948; can be well described by the one-dimensional conducting mechanism.

This dissertation presents the development and validation of the One Dimensional Turbulence (ODT) multiphase model in the Lagrangian reference frame. ODT is a stochastic model that captures the full range of length and time scales and provides statistical information on fine-scale turbulent-particle mixing and transport at low computational cost. The flow evolution is governed by a deterministic solution of the viscous processes and a stochastic representation of advection through stochastic domain mapping processes. The three algorithms for Lagrangian particle transport are presented within the context of the ODT approach. The Type-I and -C models consider the particle-eddy interaction as instantaneous and continuous change of the particle position and velocity, respectively. The Type-IC model combines the features of the Type-I and -C models. The models are applied to the multiphase flows in the homogeneous decaying turbulence and turbulent round jet. Particle dispersion, dispersion coefficients, and velocity statistics are predicted and compared with experimental data. The models accurately reproduces the experimental data sets and capture particle inertial effects and trajectory crossing effect. A new adjustable particle parameter is introduced into the ODT model, and sensitivity analysis is performed to facilitate parameter estimation and selection. A novel algorithm of the two-way momentum coupling between the particle and carrier phases is developed in the ODT multiphase model. Momentum exchange between the phases is accounted for through particle source terms in the viscous diffusion. The source term is implemented in eddy events through a new kernel transformation and an iterative procedure is required for eddy selection. This model is applied to a particle-laden turbulent jet flow, and simulation results are compared with experimental measurements. The effect of particle addition on the velocities of the gas phase is investigated. The development of particle velocity and particle number distribution are illustrated. The simulation results indicate that the model qualitatively captures the turbulent modulation with the presence of difference particle classes with different solid loadings. The model is then extended to simulate temperature evolution of the particles in a nonisothermal hot jet, in which heat transfer between the particles and gas is considered. The flow is bounded by a wall on the one side of the domain. The simulations are performed over a range of particle inertia and thermal relaxation time scales and different initial particle locations. The present study investigates the post-blast-phase mixing between the particles, the environment that is intended to heat them up, and the ambient environment that dilutes the jet flow. The results indicate that the model can qualitatively predict the important particle statistics in jet flame.

In order to reduce flooding, communities often try to control runoff with a storm sewer network, detention basins, low impact developments, and upstream storage to reduce stream overflow. Numerical models can help predict the effect these strategies will have before expensive construction projects are underway. A coupled 1D/2D hydraulic model using XPSWMM was created for the town of Kalona, IA, to test different strategies for flood reduction. XPSWMM utilizes one dimensional and two dimensional St. Venant equations to model flow in streams and pipes, or overland flow on the surface, respectively. The town of Kalona, upstream highlands, and the downstream floodplains were modeled utilizing a 4 meter cell-size unstructured grid. The model was neither calibrated nor validated, but its performance was comparable to a previously built MIKE 11/21 model of the same area when given the same inputs. The city drains into Salvesen Creek, the Central Drainage Ditch, and the East Drainage Ditch, with Salvesen Creek having the largest drainage area. 14 agricultural detention ponds upstream of the town were modeled to determine their effectiveness in reducing stream overflow, while modifications to the storm sewer network and in situ detention provided relief from local runoff. The detention ponds and modifications were modeled both separately and together and compared to a base model using the 10 year, 25 year, 50 year, 100 year, and 500 year, 3 hour storms. The different methods were compared using three index points: City Hall, Pleasant View Circle, and in a softball practice area. The upstream agricultural detention ponds provided a peak reduction of 2%, 13%, and 9%, respectively, while the in situ modifications reduced flooding by 0%, 44%, and 18%, respectively, for the 10 year storm. The combined techniques reduced flooding by 2%, 44%, and 20%, respectively. During the 100 year storm, the detention ponds, modifications, and combined techniques reduced peak flood depths by 17%, 24%, and 14%; 2%, 3%, and 22%; and 17%, 55%, and 23%, respectively. This demonstrated that the in situ modifications were more effective during low flood events while ponds were more effective at high flood events. The combined approach was most effective when the two methods complemented each other. Future work might determine areas throughout the town where reduced flow and in situ modifications together would be most effective and design approaches to maximize flood reduction. Additional features to be modeled include pumps to increase capacity in the storm sewer network, levees, and supplementary drainage channels.

Ocean-atmosphere fluxes on the West Florida Shelf (WFS) coastal ocean region are investigated using observations and derived surface fluxes from an array of buoys deployed between 1998 and 2003. The observed annual cycle shows that water column temperatures increase and are stratified when heat flux is positive, and they decrease and are well mixed when it is negative. Water temperature is minimum (maximum) when heat flux switches sign from negative (positive) to positive (negative) in early spring (autumn). Tropical and extra-tropical events help define the seasonal characteristics of the water temperature. Despite considerable daily and synoptic variability in relative humidity, observations on the WFS show that the monthly mean values are nearly constant at about 75%. Winter relative humidity varies from less than 50% to over 100% (supersaturation values of up to 3% are recorded and coincide with fog on shore) as extra-tropical fronts move over the WFS. Sensor distribution shows small spatial variations in relative humidity in the coastal ocean environment that depends on high frequency variability in meteorological conditions and low-frequency variability in oceanic conditions. Comparisons with observations show that standard climatologies are unable to reproduce spatial variability on the WFS, especially in relative humidity and surface heat flux components that are dependent on sea surface temperature. Model experiments show that careful attention must be paid in calculating and applying surface heat fluxes. Observations and models are employed to assess the relative importance of surface fluxes and convergence of heat flux by the ocean circulation in controlling ocean temperature. In spring and autumn, seasonal change in water temperature is mainly controlled by surface heat flux with smaller contributions by ocean convergence, but synoptic scale variability is controlled by both surface heat flux and ocean circulation. Surface fluxes are of primary importance in determining water temperature during the passage of tropical storms or extra-tropical fronts. The coastal ocean temperature balance is fully three-dimensional. Models must be supported by adequate surface heat flux boundary conditions. These require sufficient numbers of in situ measurement points for constraining atmospheric models. The number of observations will depend on the spatial scales of SST variability.

This thesis is concerned with the derivation of similarity solutions for one-dimensional coupled systems of reaction - diffusion equations, a semi-linear system and a one-dimensional tripled system. The first area of research in this thesis involves a coupled system of diffusion equations for the existence of two distinct families of diffusion paths. Constructing one-parameter transformation groups preserving the invariance of this system of equations enables similarity solutions for this coupled system to be derived via the classical and non-classical procedures. This system of equation is the uncoupled in the hope of recovering further similarity solutions for the system. Once again, one-parameter groups leaving the uncoupled system invariant are obtained, enabling similarity solutions for the system to be elicited. A one-dimensional pattern formation in a model of burning forms the next component of this thesis. The primary focus of this area is the determination of similarity solutions for this reaction - diffusion system by means of one-parameter transformation group methods. Consequently, similarity solutions which are a generalisation of the solutions of the one-dimensional steady equations derived by Forbes are deduced. Attention in this thesis is then directed toward a semi-linear coupled system representing a predator - prey relationship. Two approaches to solving this system are made using the classical procedure, leading to one-parameter transformation groups which are instrumental in elicting the general similarity solution for this system. A triple system of equations representing a one-dimensional case of diffusion in the presence of three diffusion paths constitutes the next theme of this thesis. In association with the classical and non-classical procedures, the derivation of one-parameter transformation groups leaving this system invariant enables similarity solutions for this system to be deduced. The final strand of this thesis involves a one- dimensional case of the general linear system of coupled diffusion equations with cross-effects for which one-parameter transformation group methods are once more employed. The one-parameter groups constructed for this system prove instrumental in enabling the attainment of similarity solutions for this system to be accomplished / Faculty of Business and Technology

Cette thèse étudie le passage liquide de Luttinger liquide de Fermi au moyen de l'application d'une pression hydrostatique dans le conducteur organique quasi unidimensionnel TMTSF2PF6. La dépendance en température de la résistivité le long the l'axe de moindre conductivité fait apparaître un régime haute température qui s'interpréter par des chaînes de Luttinger alors qu'au dessous de 100K le système évolue vers un régime de chaînes couplés avec une physique de type liquide de Fermi.Ce modèle est aussi confirmé par l'étude de l'effet Hall dans le même composé.

<p>A big responsibility lies in the hand of local authorities to exercise measures in preventing fatalities and damages during flood occurrences. However, the problem is how flooding can be prevented if nobody knows when and where it will be occurring, and how much water is expected. Therefore, the utilisation of flood models in such studies can be helpful in simulating what is anticipated to occur.</p><p> </p><p>In this study, the HEC-RAS steady flow model was used in calibrating different flood events in Testeboån river, which is situated in the municipality of Gävle in Sweden. The purpose is to provide inundation maps that show the water surface profiles for the various flood events that can help authorities in planning within the area. Moreover, the study would try to address certain issues, which concern one-dimensional models like HEC-RAS in terms of the effects of topographic data and the parameters used for friction coefficient.</p><p> </p><p>Various flood maps were produced to visualise the extents of the floods. In Oppala and Norra Åbyggeby, the big water extents for both the 100-year and the highest probable floods were visible in the forested areas and grasslands, although a few houses were within the predicted flooded areas. In Södra Åbyggeby, Varva, Forsby, and in the northern parts of Strömsbro and Stigslund, the majority of the residential places were not inundated during the 100-year flood calibration, but became flooded during the maximum probable flood. The southern portions of Strömsbro and Stigslund had lesser flood extents and houses were situated within the boundaries of the highest flood. In Näringen, there were also some areas close to the estuary that were flooded for both events.</p><p> </p><p>With the other calibrations performed, two factors that greatly affect the flood extents in the floodplain, particularly in flatter areas were topographic data and the parameters used as friction coefficient.  The use of high resolution topographic data was important in improving the performance of the software. Nevertheless, it must be emphasised that in areas characterised by gentler slopes that bounded the channel and the floodplain, data completeness became significant whereby both ground data and bathymetric points must be present to avoid overestimation of the inundation extent. The water extents also varied with the use of the various Manning’s <em>n</em> for the overbanks, with the bigger value showing greater water extents. Else, in areas with steeper slopes and where the water was confined to the banks, the effect was minimal.</p><p> </p><p>Despite these shortcomings of one-dimensional models, HEC-RAS provided good inundation extents that were comparable to the actual extent of the 1977 flooding.</p><p> </p><p>Modelling real floods has its own difficulties due to the unpredictability of real-life flood behaviours, and more especially, there are time dependent factors that are involved.  Although calibrating a flood event will not exactly determine what is to arise as they might either under- or overestimate such flooding occurrences, still, they give a standpoint of what is more or less to anticipate, and from this,  planning measures can be undertaken.</p>

This study evaluates a 1D and a 2D method for analyzing the combined effect of inland rainfall and hurricane-induced storm surge on a coastal floodplain. Horsepen Bayou near Clear Lake, southeast of Houston, Texas is vulnerable to storm surge, which can travel upstream into the Bayou and exacerbate flooding outside the designated floodplain. However, the current 100-year floodplain for this area is delineated using a 1D model without direct storm surge inputs. Additionally, floodplains with flat topography, like Horsepen, could be modeled more accurately using 2D models, instead of the traditional 1D approach. A 1D HEC-RAS model and a 2D XPSWMM model are used to compare the resulting floodplain from three historical storms and one synthetic storm. When compared to actual FEMA flood claims, the floodplains calculated by the 2D model are more representative of inundation hazard in Horsepen and therefore a better tool for evaluating flooding in the area.

A big responsibility lies in the hand of local authorities to exercise measures in preventing fatalities and damages during flood occurrences. However, the problem is how flooding can be prevented if nobody knows when and where it will be occurring, and how much water is expected. Therefore, the utilisation of flood models in such studies can be helpful in simulating what is anticipated to occur.   In this study, the HEC-RAS steady flow model was used in calibrating different flood events in Testeboån river, which is situated in the municipality of Gävle in Sweden. The purpose is to provide inundation maps that show the water surface profiles for the various flood events that can help authorities in planning within the area. Moreover, the study would try to address certain issues, which concern one-dimensional models like HEC-RAS in terms of the effects of topographic data and the parameters used for friction coefficient.   Various flood maps were produced to visualise the extents of the floods. In Oppala and Norra Åbyggeby, the big water extents for both the 100-year and the highest probable floods were visible in the forested areas and grasslands, although a few houses were within the predicted flooded areas. In Södra Åbyggeby, Varva, Forsby, and in the northern parts of Strömsbro and Stigslund, the majority of the residential places were not inundated during the 100-year flood calibration, but became flooded during the maximum probable flood. The southern portions of Strömsbro and Stigslund had lesser flood extents and houses were situated within the boundaries of the highest flood. In Näringen, there were also some areas close to the estuary that were flooded for both events.   With the other calibrations performed, two factors that greatly affect the flood extents in the floodplain, particularly in flatter areas were topographic data and the parameters used as friction coefficient.  The use of high resolution topographic data was important in improving the performance of the software. Nevertheless, it must be emphasised that in areas characterised by gentler slopes that bounded the channel and the floodplain, data completeness became significant whereby both ground data and bathymetric points must be present to avoid overestimation of the inundation extent. The water extents also varied with the use of the various Manning’s n for the overbanks, with the bigger value showing greater water extents. Else, in areas with steeper slopes and where the water was confined to the banks, the effect was minimal.   Despite these shortcomings of one-dimensional models, HEC-RAS provided good inundation extents that were comparable to the actual extent of the 1977 flooding.   Modelling real floods has its own difficulties due to the unpredictability of real-life flood behaviours, and more especially, there are time dependent factors that are involved.  Although calibrating a flood event will not exactly determine what is to arise as they might either under- or overestimate such flooding occurrences, still, they give a standpoint of what is more or less to anticipate, and from this,  planning measures can be undertaken.

When a liquid is cooled below its equilibrium freezing temperature, it becomes supercooled and the molecular motions slow down until the system becomes kinetically arrested, forming a glass, at the glass transition temperature. These amorphous materials have the mechanical properties of a solid while retaining the structural properties of a liquid, but do not exhibit the usual features of a thermodynamic phase transition. As such, they present a number of important challenges to our understanding of the dynamics and thermodynamics of condensed phases. For example, supercooled liquids are classified on the basis of the temperature dependence of their transport properties and structural relaxations times. Strong liquids display an Arrhenius behavior, with the logarithm of their viscosity growing linearly with inverse temperature. Fragile liquids behave in a super-Arrhenius manner, where the viscosity appears to diverge at temperatures above absolute zero, suggesting the possibility of an underlying thermodynamic origin to the glass transition. Some complex, network forming liquids, such as water and silica have also been shown to have a dynamical crossover from fragile to strong liquid behavior as the temperature is decreased. The potential energy landscape paradigm, combined with inherent structure formalism, provide a framework for connecting the way particles pack together with the thermodynamics and dynamics of the liquid and glassy phases. However, the complexity of this multi-dimensional surface makes it difficult to fully characterize and rigorous relationships between the nature of particle packing and glass forming properties have not been established. The goal of this thesis is to study some of the general features of glass transition and find the connection between the dynamics and the thermodynamics of glass forming liquids. To this end, the packing landscapes of quasi-one-dimensional hard discs and hard spheres are studied. A two dimensional system of hard discs with diameter σ, confined between two hard walls (lines) of length L, separated by a distance 1<Hd/σ< 1+√(3/4), is studied by using the Transfer Matrix (TM) method and Molecular Dynamics (MD) simulations. The complete packing landscape is characterized in terms of the density distribution of inherent structures and the number of local defect states. It is shown that this model exhibits a dynamic fragile-strong liquid crossover at the maximum in the constant pressure heat capacity (Cp) for the system, similar to that observed in anomalous network forming liquids such as water and silica. Furthermore, we find that rescaling the relaxation times of systems with different channel widths by the relaxation time at the Cp maximum causes all the data to collapse on a single master curve. The Cp maximum occurs at a critical value of the defect concentration. At high defect concentrations, where the defects interact, the fluid is fragile. When the defect concentration is low, relaxation appears to occur through the hopping of isolated defects, leading to Arrhenius dynamics. This suggests the thermodynamics associated with the Cp maximum is intimately related to the dynamic crossover. A system of three-dimensional hard spheres confined in a narrow channel was used to study the effect of a more complicated landscape on the dynamics of the system. For this system, the thermodynamic and dynamic properties of the system were studied for two different channel diameters, the 1<Hd/σ<1+√(3/4) case, which only allows first neighbors contact for the spheres and, 1+√(3/4)< Hd/σ < 1.98, which allows second neighbors contact to exist. For the first case, the TM method was implemented to obtain the thermodynamic properties and MD simulation was used to measure the dynamics. For the case that the second neighbor contact is allowed 1+√(3/4)< Hd/σ < 1.98. The thermodynamic and dynamic properties were obtained using MD simulations. In this channel diameter range, the system creates chiral helical jammed packings and defect states appear where sections of helices with different local chiralities come into contact. The equation of state (EOS) shows the presence of two heat capacity maxima. The high density Cp maximum is linked to fragile strong crossover. Finite size scaling analysis shows that the low density Cp maximum is related to an orientational order transition stabilized by the presence of the defects. This type of transition has been shown to exist in bulk two-dimensional systems but this work is the first study that provides strong evidence of the existence of this transition in a quasi-one-dimensional system in a system with short-range interactions.