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Full-Text Articles in Nuclear Engineering
Modeling And Experimental Investigation On The Influence Of Radiation Defects On Helium Behavior In Bcc Iron, Zuya Huang
Modeling And Experimental Investigation On The Influence Of Radiation Defects On Helium Behavior In Bcc Iron, Zuya Huang
Masters Theses
Fe-based alloys are important structural materials for both fission and fusion energy. For fusion applications, the challenges of radiation-induced changes in microstructure, properties and performance is further challenged by the concomitant production of helium from (n, alpha) nuclear reactions and fusion reactions. Due to the lack of a volumetric, high flux 14-MeV neutron source, studying these phenomena require the use of computational materials modeling and novel experimental methods. In this thesis, molecular dynamics (MD) simulations was used to investigate the synergistic interactions of helium with prismatic dislocation loops characteristic of those observed in neutron irradiated iron to determine how the …
Simulations Of Ti-Y-O Nanoclusters In Ferritic Alloys, Natalie Browning Camilli
Simulations Of Ti-Y-O Nanoclusters In Ferritic Alloys, Natalie Browning Camilli
Masters Theses
Nanostructured ferritic alloys possess high strength and resistance to radiation effects due to the presence of nanoprecipitates. Though nanostructured ferritic alloys have desirable mechanical properties, the exact composition and structure of the nanoprecipitates is unknown; thus, atomistic simulations involving the formation of nanoclusters give insight as to their structure. This thesis focuses on the structure, formation and radiation stability of Ti-Y-O [titanium-yttrium-oxygen] nanoclusters in iron. The activation energies for diffusion and the diffusion coefficients of oxygen interstitial atoms in iron are determined. The binding energies of various combinations of oxygen interstitial atoms and iron vacancies are also tabulated. Thermodynamic formation …
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 …