About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
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Mechanical Behavior at the Nanoscale VI
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Presentation Title |
Molecular Dynamics Modeling of Helium Nanobubble Growth in Irradiated Copper Matrix |
Author(s) |
Ali K. Shargh, Ognjen Bosic, Niaz Abdolrahim |
On-Site Speaker (Planned) |
Ali K. Shargh |
Abstract Scope |
Irradiation of metals under high energy alpha particles is often accompanied with formation of helium nanobubbles in the matrix and leads to moderate degradation in their mechanical properties and structural integrity. While recent experiments have demonstrated that the extent of such degradation depends on thermodynamic characteristics of full-grown bubbles such as: internal pressure, little is known on atomic-scale deformation mechanisms responsible for controlling bubble pressure. Using MD simulations, we present a novel deformation mechanisms map for copper matrix containing helium nanobubbles with different morphological parameters such as: bubble diameter, inter-bubble distance, and helium to vacancy ratio (He/V). Different deformation mechanisms such as: crystallization, formation of immobile stacking-fault octahedra as well as punching out of prismatic and triangular dislocation loops will be discussed. In addition, we develop an equation of state based on Donnelly model for predicting the nanobubble pressure from its diameter as well as He/V at various temperature. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Mechanical Properties, Other |