About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Elastic Interactions in Grain Boundary Phase Transformations |
| Author(s) |
Ian Winter, Robert Rudd, Tomas Oppelstrup, Timofey Frolov |
| On-Site Speaker (Planned) |
Ian Winter |
| Abstract Scope |
Grain boundaries influence many properties of engineering materials. Accurate prediction of their structure and possible transitions using atomistic modeling are important for strategies aimed at improving materials properties. Recently there has been a rapid growth in evidence suggesting that materials interfaces can exhibit first-order structural transformations in which the interface properties undergo discontinuous changes. Experiments have linked these transitions to abnormal grain growth, activated sintering and liquid metal embrittlement and raised fundamental questions concerning the atomic structures and kinetic properties of these interface phases. In this work, we model grain boundary phase transformations in tungsten using atomistic simulations. Specifically, we investigate the importance of elastic interactions on the kinetics of grain boundary phase transformations and develop a corresponding elastic theory that can enable the mesoscale modelling of GB phenomena. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. |
| Proceedings Inclusion? |
Planned: |