About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Chemistry and Physics of Interfaces
|
Presentation Title |
Pattern Formation of Grain Boundary Phases |
Author(s) |
Ian Winter, 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. Using linear elasticity theory we show that line defects existing at grain boundary phase junctions can interact in such a manner as to stabilize a pattern of grain boundary phases. In addition, we demonstrate that such patterned systems can be stabilized in atomistic simulations. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525 (SAND2022-1056 A). 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 |
Computational Materials Science & Engineering, Modeling and Simulation, Phase Transformations |