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Oxidation Modeling By Means Of Molecular Dynamics, Chaiyod Soontrapa
Oxidation Modeling By Means Of Molecular Dynamics, Chaiyod Soontrapa
UNLV Theses, Dissertations, Professional Papers, and Capstones
Oxidation modeling is normally engineered to study systems at macroscopic scales, mostly in analytical forms based on diffusion theories. The associated time scale is usually in months, days, or minutes, and the length scale is in the order of microns. In this dissertation, oxidation modeling is performed at atomistic scale with the time and length scales in picoseconds and angstroms, respectively, using molecular dynamics. Molecular dynamics simulations generate trajectories of each atom or particle in a system according to the laws of physics. Studying oxidations under the atomistic point of view can offer new insights on atomic behaviors and influencing …
Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics - Phase Three, Samir Moujaes, Yitung Chen
Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics - Phase Three, Samir Moujaes, Yitung Chen
Transmutation Sciences Materials (TRP)
The proposed work will combine chemical kinetics and hydrodynamics in target and test-loop lead-bismuth eutectic (LBE) systems to model system corrosion effects. This approach will result in a predicative tool that can be validated with corrosion test data, used to systematically design tests and interpret the results, and provide guidance for optimization in LBE system designs. The task includes two subtasks. The first subtask is to try to develop the necessary predictive tools to be able to predict the levels of oxygen and corrosion products close to the boundary layer through the use of Computational Fluid Dynamics (CFD) modeling. The …
Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Phase Two, Samir Moujaes, Yitung Chen
Modeling Corrosion In Oxygen Controlled Lbe Systems With Coupling Of Chemical Kinetics And Hydrodynamics-Phase Two, Samir Moujaes, Yitung Chen
Transmutation Sciences Materials (TRP)
The proposed work will combine chemical kinetics and hydrodynamics in target and test-loop lead-bismuth eutectic (LBE) systems to model system corrosion effects. This approach will result in a predicative tool that can be validated with corrosion test data, used to systematically design tests and interpret the results, and provide guidance for optimization in LBE system designs. The task includes two subtasks. The first subtask is to try to develop the necessary predictive tools to be able to predict the levels of oxygen and corrosion products close to the boundary layer through the use of Computational Fluid Dynamics (CFD) modeling. The …
Long-Term Effects Of Neutron Absorber And Fuel Matrix Corrosion On Criticality, William Culbreth, P. Zielinski
Long-Term Effects Of Neutron Absorber And Fuel Matrix Corrosion On Criticality, William Culbreth, P. Zielinski
Mechanical Engineering Faculty Research
Proposed waste package designs will require the addition of neutron absorbing material to prevent the possibility of a sustained chain reaction occurring in the fuel in the event of water intrusion. Due to the low corrosion rates of the fuel matrix and the Zircaloy cladding, there is a possibility that the neutron absorbing material will corrode and leak from the waste container long before the subsequent release of fuel matrix material. An analysis of the release of fuel matrix and neutron absorber material based on a probabilistic model was conducted and the results were used to prepare input to KENO-V, …