The 9th International Conference on Multiscale Materials Modeling

Presentation information

Symposium

I. Multiscale Modeling of Grain Boundary Dynamics, Grain Growth and Polycrystal Plasticity

[SY-I9] Symposium I-9

Thu. Nov 1, 2018 9:45 AM - 11:00 AM Room7

Chairs: Yuri Mishin(George Mason University, United States of America), Yang Xiang(Hong Kong University of Science and Technology, Hong Kong)

[SY-I9] Grain Boundary Microstates Under Irradiation: A Moment in Time?

Invited

Mitra L Taheri (Drexel University, Department of Materials Science & Engineering, United States of America)

Understanding the sink efficiency of interfaces under irradiation is of paramount importance to tailoring materials for radiation tolerance. Using in situ irradiation coupled with precession electron diffraction analysis, defect absorption was tracked for increasing dose. Denuded zones were found to collapse, but in the absence of any detected changed in macroscopic degrees of freedom of the grain boundaries. Each grain boundary denuded zone experienced changes different doses, indicating a direct observation of the difference in grain boundary “immunity” to irradiation depending on character. Since a change in sink efficiency is likely due to a change in point defect absorption at the boundary, this indicates that something about the structure of these boundaries has changed. The grain boundary macroscopic character remains the same, however, leading to the conclusion that a change in microscopic character has occurred, possibly due to the formation of extrinsic defects on the boundary. To analyze this further, simulations were used to explore grain boundary microstates loaded with defects (mimicking a collision cascade) and assessed for vacancy formation energies. Overall, the results present a foundation for improving sink efficiency descriptions under irradiation, and take a step forward in understanding complex interfacial dependencies. Additionally, results will be shown for studies of grain boundary structure and stability, including faceting, in the context of grain boundaries acting as “phases.” These advances present the possibility that the extent to which a grain boundary is at “equilibrium” controls many of its properties, and that its equilibrium is possible to be tuned.