The development of an economical method for determining accurately group constants of hexagonal and rectangular cells is considered in this dissertation. The mathematical model constructed for this purpose has the capability to characterize the group constants for the entire range of the neutron spectrum. Furthermore, this model is also rigorous enough to predict the group constants with the required accuracy for a specific range of interest in the energy spectrum and for a variety of energy group configurations. The model is implemented separately for the fast and thermal energy regions. These regions are subsequently coupled via the source term. The construction of the model for the fast energy range has been pursued by implementing the transport equation specialized in a two-region cell. The regions are coupled via the escape probability functions. The model for the thermal energy range has been attained by implementing the appropriate Nelkin and Honeck amplitude functions within the kernels of the transport equation. The Nelkin amplitude function is utilized for treating light water moderated systems, and the Honeck amplitude function relates to heavy water moderated systems. The group constants calculated with the economical model have been benchmarked with those computed by the VIM Monte Carlo code. The values obtained for the group constants agree within 1-2% with those computed by VIM for the fast energy region. The agreements for the thermal energy region are within 2-3%. The CPU running time of the implemented model is about 3 1/2 minutes for a four group configuration. On the other hand a typical VIM run comprising 25,000 neutron histories and a four-group structure expends about 30 minuts of CPU time for light water moderated systems. Moreover, similar VIM runs utilizing heavy water as moderator require over one hour of CPU time. Therefore, the implemented model makes utilization of computer resources with a cost advantage of a factor of 10 or better as compared to VIM. This economical benefit of the implemented model enables it to be coupled directly with fuel depletion codes, whereby the group constants and the fuel isotopics are updated at relatively short time intervals. On the other hand, the coupling of VIM with burnup codes would result in prohibitively expensive CPU costs. / Ph. D.

Evaluation of dose optimization using the Pencil Beam (PB) and Monte Carlo (MC) algorithms may allow physicists to apply dosimetric offsets to account for inaccuracies of the PB algorithm for lung cancer treatment with Stereotactic Body Radiotherapy (SBRT). 20 cases of Non-Small Cell Lung Cancer (NSCLC) were selected. Treatment plans were created with Brainlab iPlanDose® 4.1.2. The D97 of the Planning Target Volume (PTV) was normalized to 50 Gy on the Average Intensity Projection (AIP) using the fast PB and compared with MC. This exact plan with the same beam Monitor Units (MUs) was recalculated over each respiratory phase. The results show that the PB algorithm has a 2.3-2.4% less overestimation at the maximum exhalation phase than the maximum inhalation phase when compared to MC. Significantly smaller dose difference between PB and MC is also shown in plans for peripheral lesions (7.7 ± 0.7%) versus central lesions (12.7±0.8%)(p< 0.01). / Includes bibliography. / Thesis (M.S.)--Florida Atlantic University, 2014. / FAU Electronic Theses and Dissertations Collection

Flow Structure and fluid transport via advection around pectoral fin of larval ZebraFish are studied numerically using Immersed Boundary Method, Lagrangian Coherent Structure, passive particle tracing, vortex core evolution and four statistically defined mixing numbers. Experimental fish kinematics for nominal swimming case are obtained from previous researchers and numerically manipulated to analyze the role of different body motion kinematics, Reynolds number and fin morphology on flow structure and transport. Hyperbolic strain field and vortex cores are found to be effective particle transporter and their relative strength are driving force of varying flow structure and fluid transport. Translation and lateral undulation of fish; as a combination or individual entity, has coherent advantages and drawbacks significant enough to alter the nature of fluid advection. Reynolds number increase enhances overall fluid transport and mixing in varying order for different kinematics and nominal bending position of fin has average transport capability of other artificially induced fin morphology. / Includes bibliography. / Thesis (M.S.)--Florida Atlantic University, 2016. / FAU Electronic Theses and Dissertations Collection

"Multitubular packed bed reactors with low tube-to-particle diameter ratios (N) are especially selected for strongly endothermic reactions such as steam reforming and propane dehydrogenation. For low N tubes, the presence of the wall causes changes in bed structure, flow patterns, transport rates and the amount of catalyst per unit volume. In particular, the particles close to the wall will behave differently to those inside the bed. The problem is that, due to the simplifying assumptions, such as uniform catalyst pellet surroundings, that are usual for the current pseudo-continuum reactor models, the effects of catalyst pellet design changes in the near-wall environment are lost. The challenge is to develop a better understanding of the interactions between flow patterns, species pellet diffusion, and the changes in catalyst activity due to the temperature fields in the near wall region for the modeling and design of these systems. To contribute to this improved understanding, Computational Fluid Dynamics (CFD) was used to obtain detailed flow, temperature, and species fields for near-wall catalyst particles under steam reformer and propane dehydrogenation reactor inlet conditions. As a first step, a reduced size model was generated by only considering a 120 degree segment of an N = 4 tube, and validated with a larger size complete bed model. In terms of the flow and temperature contours and profiles, the complete tubes can be represented well by the reduced size models, especially focusing on the center particles positioned in the middle of the near wall region. The methane steam reforming heat effects were implemented by a user-defined code with the temperature-dependent sinks in the catalyst particles, near to the pellet surfaces for different activity levels. For the sinks terms, bulk phase species concentrations were used in the reaction rates, and with the reaction heat effects inclusion, significant pellet sensitivity was observed with different activity levels. Furthermore, non-symmetric temperature fields in and around the near wall particles were noticed as contrary to the conventional approach. In order to focus on the 3D intra-pellet distributions of temperature and species, diffusion and reaction were coupled to the external flow and temperature fields by user-defined code. Strong deviations from uniformity and symmetry on the temperature and species distributions existed as a result of the strong wall heat-flux into the particles Additionally, the pseudo-continuum type of packed bed model was created, which considers the simplified environment for the reacting particles. The results obtained by the diffusion reaction application in the 3D discrete packing model could not be re-produced by the conventional simplified pseudo-continuum approach, no matter which parameter values were chosen for the latter. The significance of these observations is that, under the conventional assumption of symmetric particle surroundings, the tube wall temperature and reaction rates for catalyst particles can be incorrectly evaluated and important design considerations may not be well predicted, thus, negative consequences on the plant safety and efficiency may be observed. "

Resonant Magnetic Perturbation (RMP) fields produced by external control coils are considered a viable option for the suppression of Edge Localized Modes (ELMs) in present and future tokamaks. Repeated reversals of the toroidal phase of the I-coil magnetic field in RMP shot 147170 on DIII-D has generated uniquely different edge pedestal profiles, implying different edge transport phenomena. The causes, trends, and implications of RMP toroidal phase reversal on edge transport is analyzed by comparing various parameters at 0 and 60 degree toroidal phases, with an I-coil mode number of n=3. An analysis of diffusive and non-diffusive transport effects of these magnetic perturbations it the plasma edge pedestal for this RMP shot is characterized by interpreting the ion and electron heat diffusivities, angular momentum transport frequencies, ion diffusion coefficients, and pinch velocities for both phases.

Solid oxide cells are best known in the energy sector as novel power generation devices through solid oxide fuel cells (SOFCs), which enable the direct conversion of chemical energy to electrical energy and result in high efficiency power generation. However, solid oxide electrolysis cells (SOECs) are receiving increased attention as a hydrogen production technology through high temperature electrolysis applications. The development of higher fidelity methods for modeling transport phenomena within solid oxide cells is necessary for the advancement of these key technologies. The proposed thesis analyzes the increased transport path lengths caused by constriction resistance effects in prevalent solid oxide cell designs. Such effects are so named because they arise from reductions in active transport area. Constriction resistance effects of SOFC geometry on continuum level mass and electronic transport through SOFC anodes are simulated. These effects are explored via analytic solutions of the Laplace equation with model verification achieved by computational methods such as finite element analysis (FEA). Parametric studies of cell geometry and fuel stream composition are performed based upon the models developed. These studies reveal a competition of losses present between mass and electronic transport losses and demonstrate the benefits of smaller SOFC unit cell geometry. Furthermore, the models developed for SOFC transport phenomena are applied toward the analysis of SOECs. The resulting parametric studies demonstrate that geometric configurations that demonstrate enhanced performance within SOFC operation also demonstrate enhanced performance within SOEC operation. Secondarily, the electrochemical degradation of SOFCs is explored with respect to delamination cracking phenomena about and within the critical electrolyte-anode interface. For thin electrolytes, constriction resistance effects may lead to the loss of electro-active area at both anode-electrolyte and cathode-electrolyte interfaces. This effect (referred to as masking) results in regions of unutilized electrolyte cross-sectional area, which can be a critical performance hindrance. Again analytic and computational means are employed in analyzing such degradation issues.

Im Rahmen der vorliegenden Arbeit werden ab initio Berechnungen des Restwiderstandes von metallischen Nanostrukturen vorgestellt. Die elektronische Struktur der idealen Systeme wird mit Hilfe einer Screened KKR Greenschen Funktionsmethode im Rahmen der Vielfachstreutheorie auf der Grundlage der Dichtefunktionaltheorie berechnet. Die Potentiale von Punktdefekten werden selbstkonsistent mit Hilfe einer Dyson-Gleichung für die Greensche Funktion des gestörten Systems berechnet. Unter Nutzung der ab initio Ubergangswahrscheinlichkeiten wird der Restwiderstand durch Lösung der quasi-klassischen Boltzmann-Gleichung bestimmt. Ergebnisse für ultradünne Cu-Filme und die Leitfähigkeitsanomalie während des Wachstums von Co/Cu-Vielfachschichten werden vorgestellt. Der Einfluss von Oberflächen, geordneten und ungeordneten Grenzflächenlegierungen und von Defekten an verschiedenen Positionen in der Vielfachschicht auf den Effekt des Giant Magnetoresistance wird untersucht. Die selbstkonsistente Berechnung der Streueigenschaften und die verbesserte Lösung der Boltzmann-Transportgleichung unter Einbeziehung der Vertex-Korrekturen stellen ein leistungsfähiges Werkzeug zur umfassenden theoretischen Beschreibung dar. Sie verhelfen zu nützlichen Einsichten in die mikroskopischen Prozesse, die die Transporteigenschaften von nanostrukturierten Materialen bestimmen. / A powerful formalism for the calculation of the residual resistivity of metallic nanostructured materials without adjustable parameters is presented. The electronic structure of the unperturbed system is calculated using a screended KKR multiple scattering Green's function formalism in the framework of density functional theory. The scattering potential of point defects is calculated self-consistently by solving a Dyson equation for the Green's function of the perturbed system. Using the ab initio scattering probabilities the residual resistivity was calculated solving the quasiclassical Boltzmann equation. Examples are given for the resistivity of ultrathin Cu films and the conductance anomaly during the growth of a Co/Cu multilayer. Furthermore, the influence of surfaces, ordered and disordered interface alloys and defects at different positions in the multilayer on the effect of Giant Magnetoresistance is investigated. The self-consistent calculation of the scattering properties and the improved treatment of the Boltzmann transport equation including vertex corrections provide a powerful tool for a comprehensive theoretical description and a helpful insight into the microscopic processes determining the transport properties of magnetic nanostructured materials.

In this thesis, we investigate spin-dependent transport through ferromagnet-contacted single-walled carbon nanotubes (SWCNTs), in which charge transport shows the Fabry-Perot (FP) interference effect, the Kondo effect and the Coulomb blockade effect at low temperatures. Hysteric magnetoresistance (MR) is observed in all three transport regimes, which can be controlled by both the external magnetic field and the gate voltage. The MR in the FP interference regime can be well understood by a model considering the intrinsic electronic structure of SWCNTs and the quantum interference effect. In the strongly interacting Kondo regime, the Kondo effect is not suppressed by the presence of nearby ferromagnetism. Several observed MR features including the non-splitted zero-bias Kondo peak and positive MR switching can be explained by the strong Kondo effect and weak ferromagnetism in the leads. In the Coulomb blockade regime, several effects that can be associated with the magneto-Coulomb effect have been observed, and isolated spin accumulation and transport through the SWCNT quantum dot have been realized by a four-probe non-local measurements. We also studied charge transport behavior through organic semiconductor pentacene thin film transistors (OTFTs) in the limit of single- or a few molecular layers of pentacene films. The charge transport in these devices can be well explained by the multiple trapping and release model. The structural disorders induced by the physical and chemical causes, such as grain boundaries, interactions with gate insulator, metal contacts and ambient conditions can be responsible for the localized trap states in the ultrathin layer OTFTs, which are further confirmed by the electric force microscopy (EFM) measurements. / text

Reactive transport models are essential tools for predicting contaminant fate and transport in the subsurface and for designing effective remediation strategies. Sound understanding of subsurface mixing in heterogeneous porous media is the key for the realistic modeling of reactive transport. This dissertation aims to investigate the extent of mixing and improve upscaling effective macroscopic models for mixing-controlled reactive transport in connected heterogeneous formations, which usually exhibit strongly anomalous transport behavior. In this research, a novel approach is developed for an accurate geostatistical characterization of connected heterogeneous formations transformed from Gaussian random fields. Numerical experiments are conducted in such heterogeneous fields with different connectivity to investigate the performance of macroscopic mean transport models for simulating mixing-controlled reactive transport. Results show that good characterization of anomalous transport of a conservative tracer does not necessarily mean that the models may characterize mixing well and that, consequently, it is questionable that the models capable of characterizing anomalous transport behavior of a conservative tracer are appropriate for simulating mixing-controlled reactive transport. In connected heterogeneous fields with large hydraulic conductivity variances, macroscopic mean models ignoring concentration variations yield good prediction, while in fields with intermediate conductivity variances, the models must consider both the mean concentration and concentration variations, which are very difficult to evaluate both theoretically and experimentally. An innovative and practical approach is developed by combining mean conservative and reactive breakthrough curves for estimating concentration variations, which can be subsequently used by variance transport models for prediction. Furthermore, a new macroscopic framework based on the dual-permeability conceptualization is developed for describing both mean and concentration variation for mixing-controlled reactive transport. The developed approach and models are validated by numerical and laboratory visualization experiments. In particular, the new dual-permeability model demonstrates significant improvement for simulating mixing-controlled reactive transport in heterogeneous media with intermediate conductivity variances. Overall, results, approaches and models from this dissertation advance the understanding of subsurface mixing in anomalous transport and significantly improve the predictive ability for modeling mixing-controlled reactive transport in connected heterogeneous media.

A computational model of thrombus initiation and aggrandizement was proposed. The model separated the thrombotic process into three mechanisms, including shear enhanced diffusivity, platelet margination, and platelet adhesion. The model indicates that transport mechanisms may be the rate limiting condition of thrombus formation at physiological shear rates and that at higher shear rates; platelet binding becomes the rate limiting condition. Additionally a wall shear rate of 20000 s-1 and above should be considered as a new criterion for prophylactic treatment of an atherosclerotic lesion.