About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Nucleation of Grain Boundary Phases |
Author(s) |
Ian Winter, Rob Rudd, Tomas Oppelstrup, Timofey Frolov |
On-Site Speaker (Planned) |
Timofey Frolov |
Abstract Scope |
Grain boundaries greatly influence many properties of engineering materials. Accurate prediction of their structure and possible transitions using atomistic modeling are important for strategies that aim to improve properties of materials. Recent years have seen a rapid growth of evidence suggesting that materials interfaces are capable of 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 a number of fundamental questions concerning the atomic structures and kinetic properties of these interface phases. In this work, we expand our recent model of grain boundary phase nucleation to include heterogeneous grain boundary phase nucleation in elastically anisotropic materials, and additionally consider the possible metastability of patterns of grain boundary phase nuclei. 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: |
Keywords |
Thin Films and Interfaces, Modeling and Simulation, |