| About this Abstract |
| Meeting |
2016 TMS Annual Meeting & Exhibition
|
| Symposium
|
Interface-driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry
|
| Presentation Title |
Experimental Observations and Modeling of Interfacial Defects at an Asymmetric Σ=5 Grain Boundary in Fe |
| Author(s) |
, K. Hattar, J. A. Zimmerman, F. Abdeljawad, S. M. Foiles |
| On-Site Speaker (Planned) |
|
| Abstract Scope |
We investigate the structure of an asymmetric Σ=5 <001> tilt boundary in BCC iron, focusing on the junctions at intersecting {210} and {310}-type facets and their interaction with grain boundary dislocations. We have simulated these interfacial structures using several interatomic potentials and density functional theory and have compared these calculations with atomic resolution experimental observations of the interface. By analyzing the boundary dislocation content we have shown how the angular deviation from the exact Σ=5 alignment is accommodated by an array of (1/5)[3,1,0] and (1/5)[1,2,0] dislocations distributed consistently with the average boundary inclination. These atomistic observations help in challenging our thinking about the interplay between dislocation and boundary faceting energetics. To illustrate, we discuss how this analysis is being used to motivate and to refine a continuum phase-field approach for modeling the effects of junction dislocation character on the energetics and kinetics of grain boundary facet coarsening. |
| Proceedings Inclusion? |
Planned: A print-only volume |