About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Materials Science and Engineering of Materials in Nuclear Reactors
|
Presentation Title |
Modeling the Fracture of Zirconium at an Atomic Level and Analyzing the Effects of Temperature and Strain Rate on the Deformation Mechanisms |
Author(s) |
Vlad Podgurschi, Kailan Luo, Mark R. Wenman |
On-Site Speaker (Planned) |
Vlad Podgurschi |
Abstract Scope |
Molecular dynamics simulations of single crystal zirconium fracture were performed in order to study the deformation mechanisms active on the basal and prismatic planes. In addition, the effects of temperature (0 K, 150 K and 300 K) and strain rate were investigated. The crack tip orientation was found to strongly affect the plasticity of the crack tip with significant deformation taking place on the basal plane and little plasticity seen on the prismatic plane. The basal crack propagated easier than the prismatic crack. Both temperature and strain rate were observed to affect the {11-21}<-1-126> type twinning and dislocation emission at a basal crack tip. For the prismatic crack tip the primary deformation mechanism was the emission of 1/3<1-210> dislocations at 60˚ to the crack plane and was observed to be temperature independent. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |