Thesis (Ph. D.)--State University of New York at Binghamton, Thomas J. Watson School of Engineeering and Applied Science, Department of Mechanical Engineering, 2009. / Includes bibliographical references.

The following research contributes original concepts to the fields of deterministic neutron transport modeling and reactor power excursion simulation. A deterministic neutron transport code was created to assess the value of new methods of determining neutron current, fluence, and flux values through the use of view factor and average path length calculations. The neutron transport code is also capable of modeling the highly anisotropic neutron transport of deuterium-tritium fusion external source neutrons using diffusion theory with the aid of a modified first collision source term. The neutron transport code was benchmarked with MCNP, an industry standard stochastic neutron transport code. Deterministic neutron transport methods allow users to model large quantities of neutrons without simulating their interactions individually. Subsequently, deterministic methods allow users to more easily couple neutron transport simulations with other physics simulations. Heat transfer and thermoelastic mechanics physics simulation modules were each developed and benchmarked using COMSOL, a commercial heat transfer and mechanics simulation software. The physics simulation modules were then coupled and used to simulate reactor pulses in fast burst and externally driven nuclear assemblies. The coupled system of equations represents a new method of simulating reactor pulses that allows users to more fully characterize pulsed assemblies. Unlike older methods of reactor pulse simulation, the method presented in this research does not require data from the operational reactor in order to simulate its behavior. The ability to simulate the coupled neutron transport and thermo-mechanical feedback present in pulsed reactors prior their construction would significantly enhance the quality of pulsed reactor pre-construction safety analysis. Additionally, a graphical user interface is created to allow users to run simulations and visualize the results using the coupled physics simulation modules. / text

Dissolved organic contaminants that decrease the surface tension of water (surfactants) can have an effect on unsaturated flow through porous media due to the dependence of capillary pressure on surface tension. One and two-dimensional (1D, 2D) laboratory experiments and numerical simulations were conducted to study surfactant-induced unsaturated flow. The 1D experiments investigated differences in surfactant-induced flow as a function of contaminant mobility. The flow in a system contaminated with a high solubility, mobile surfactant, butanol, was much different than in a system contaminated with a sparingly soluble, relatively immobile surfactant, myristyl alcohol (MA). Because surface tension depression caused by MA was confined to the original source zone, the MA system was modeled using a standard unsaturated flow model (HYDRUS-1D) by assigning separate sets of hydraulic functions to the initially clean and source zones. To simulate the butanol system, HYDRUS-1D was modified to incorporate surfactant concentration-dependent changes to the moisture content-pressure head and unsaturated hydraulic conductivity functions. Following the 1D study, a two-dimensional flow cell (2.4 x 1.5 x 0.1 m) was used to investigate the infiltration of a surfactant contaminant plume from a point source on the soil surface, through the vadose zone, and toward a shallow aquifer. Above the top of the capillary fringe the advance of the surfactant solution caused a drainage front that radiated from the point source. Upon reaching the capillary fringe, the drainage front caused a localized depression of the capillary fringe and eventually a new capillary fringe height was established. Horizontal transport of surfactant in the depressed capillary fringe caused the propagation of a wedge-shaped drainage front in the downgradient direction. The numerical model HYDRUS-2D was modified to account for surfactant concentration-dependent effects on the unsaturated hydraulic functions and was successfully used to simulate the surfactant infiltration experiment. The extensive propagation of the drying front and the effect of vadose zone drainage on contaminant breakthrough time demonstrate the potential importance of considering surface tension effects on unsaturated flow and transport in systems containing surface-active organic contaminants or in systems where surfactants are used for remediation of the vadose zone or unconfined aquifers.

Atmospheric monitoring of radionuclides as part of the International Monitoring System requires the capability to differentiate between a radionuclide signature emanating from peaceful nuclear activity and one emanating from a well-contained underground nuclear explosion. While the radionuclide signatures of nuclear weapons are generally well known, radionuclides must first pass through hundreds of meters of earth to reach the surface where they can be detected and analyzed. Less well known is the affect that subsurface vertical transport has on the isotopic signatures of nuclear explosions. In this work, a model is developed, and tested, simulating the detonation of a simple underground nuclear explosion and the subsequent vertical transport of resulting radioxenon to the surface. First, the fast-fission burn of a fissile spherical core surrounded by a layer of geologic media is modeled, normalized to 1 kton total energy. The resulting source term is then used in the testing and evaluation of the constructed vertical transport model, which is based on the double-porosity model of underground fluid transport driven by barometric pumping. First, the ability of the vertical transport code to effectively model the underground pressure response from a varying surface pressure is demonstrated. Next, a 100-day simulation of the vertical migration of a static source is examined, and the resulting cumulative outflow of roughly 1% initial inventory outflow per cycle is found to closely follow the analytical predictions. Finally, calculated radioxenon source terms are utilized to model the resulting vertical transport and subsequent surface outflow. These results are found to be consistent with the physical expectations of the system, and lastly a cursory sensitivity analysis is conducted on several of the physical parameters of the model. The result is that the vertical transport model predicts isotopic fractionation of radioxenon that can potentially lie outside of currently accepted standard bounds. / text

No description available.

A new whole-core transport method is described for 3-D hexagonal geometry. This is an extension of a stochastic-deterministic hybrid method which has previously been shown highly accurate and efficient for eigenvalue problems. Via Monte Carlo, it determines the solution to the transport equation in sub-regions of reactor cores, such as individual fuel elements or sections thereof, and uses those solutions to compose a library of response expansion coefficients. The information acquired allows the deterministic solution procedure to arrive at the whole core solution for the eigenvalue and the explicit fuel pin fission density distribution more quickly than other transport methods. Because it solves the transport equation stochastically, complicated geometry may be modeled exactly and therefore heterogeneity even at the most detailed level does not challenge the method. In this dissertation, the method is evaluated using comparisons with full core Monte Carlo reference solutions of benchmark problems based on gas-cooled, graphite-moderated reactor core designs. Solutions are given for core eigenvalue problems, the calculation of fuel pin fission densities throughout the core, and the determination of incremental control rod worth. Using a single processor, results are found in minutes for small cores, and in no more than a few hours for a realistically large core. Typical eigenvalues calculated by the method differ from reference solutions by less than 0.1%, and pin fission density calculations have average accuracy of well within 1%, even for unrealistically challenging core configuration problems. This new method enables the accurate determination of core eigenvalues and flux shapes in hexagonal cores with efficiency far exceeding that of other transport methods.

No description available.

In this dissertation, three different methods for solving the Boltzmann neutron transport equation (and its low-order approximations) are developed in general geometry and implemented in 1D slab geometry. The first method is for solving the fine-group diffusion equation by estimating the in-scattering and fission source terms with consistent coarse-group diffusion solutions iteratively. This is achieved by extending the subgroup decomposition method initially developed in neutron transport theory to diffusion theory. Additionally, a new stabilizing scheme for on-the-fly cross section re-condensation based on local fixed source calculations is developed in the subgroup decomposition framework. The method is derived in general geometry and tested in 1D benchmark problems characteristic of Boiling Water Reactors (BWR) and Gas Cooled Reactor (GCR). It is shown that the method reproduces the standard fine-group results with 3-4 times faster computational speed in the BWR test problem and 1.5 to 6 times faster computational speed in the GCR core. The second method is a hybrid diffusion transport method for accelerating multi-group eigenvalue transport problems. This method extends the subgroup decomposition method to efficiently couple a coarse-group high-order diffusion method with a set of fixed-source transport decomposition sweeps to obtain the fine-group transport solution. The advantages of this new high-order diffusion theory are its consistent transport closure, straight forward implementation and numerical stability. The method is analyzed for 1D BWR and High Temperature Test Reactor (HTTR) benchmark problems. It is shown that the method reproduces the fine-group transport solution with high accuracy while increasing the computationally efficiency up to 16 times in the BWR core and up to 3.3 times in the HTTR core compared to direct fine-group transport calculations. The third method is a new spatial homogenization method in transport theory that reproduces the heterogeneous solution by using conventional flux weighted homogenized cross sections. By introducing an additional source term via an “auxiliary cross section” the resulting homogeneous transport equation becomes consistent with the heterogeneous equation, enabling easy implementation into existing solution methods/codes. This new method utilizes on-the-fly re-homogenization, performed at the assembly level, to correct for core environment effects on the homogenized cross sections. The method is derived in general geometry and continuous energy, and implemented and tested in fine-group 1D slab geometries typical of BWR and GCR cores. The test problems include two single assembly and 4 core configurations. It is believed that the coupling of the two new methods, namely the hybrid method for treating the energy variable and the new spatial homogenization method in transport theory set the stage, as future work, for the development of a robust and practical method for highly efficient and accurate whole core transport calculations.

Eulerian chemical transport models are extensively used to steer environmental policy, forecast air quality and study atmospheric processes. However, the ability of these models to simulate concentrated atmospheric plumes, including fire-related smoke, may be limited. Wildland fires are important sources of air pollutants and can significantly affect air quality. Emissions released in wildfires and prescribed burns have been known to substantially increase the air pollution burden at urban locations across large regions. Air quality forecasts generated with numerical models can provide valuable information to environmental regulators and land managers about the potential impacts of fires. Eulerian models present an attractive framework to simulate the transport and transformation of fire emissions. Still, the limitations inherent to chemical transport models when applied to replicate smoke plumes must be identified and well understood to adequately interpret results and further improve the models' predictive skills. Here, a modeling framework centered on the Community Multiscale Air Quality modeling system (CMAQ) is used to simulate several fire episodes that occurred in the Southeastern U.S. and investigate the sensitivity of fine particulate matter concentration predictions to various model inputs and parameters. Significant sources of uncertainty in the model are identified and discussed, including the spatiotemporal allocation of fire emissions and meteorological drivers. In addition, special attention is given to model grid resolution. Adaptive grid modeling is explored as a strategy to simulate fire-related plumes. An adaptive version of CMAQ, capable of dynamically restructuring the grid on which solution fields are estimated and providing refinement at the regions where accuracy is most dependent on resolution, is presented. The fully adaptive three-dimensional modeling technique can be applied to reach unprecedented levels of grid resolution and provide insight into plume dynamics unattainable with static grid models. Through this work the capability of current chemical transport models to replicate fire-related air quality impacts is evaluated, key research needs to achieve effective simulations are identified, and numerical tools designed to improve model performance are developed.

The purpose of this thesis is to report a theoretical investigation on the current-current correlation and noise in the tmnsient quantum transport regime. In particular, we calculate current correlations when the bias voltage of a LDL quantum device is suddenly turned off. Namely, we consider the situation that when time t < 0 the device is in a steady-state under bias Vb, when t > 0 the bias is turned off to zero. Under such a bias, the transport current l goes from a finite steady-state value 10 at t < 0 to zero at large times. When electronic structure of the leads as well as well as the device scattering region are to be taken into account, it is a difficult problem to calculate the time dependent current-current correlation. However, for the sharp step-down bias shape, we discover that the time-dependent problem can be solved exactly for non-interacting systems.