|About this Abstract
||1st World Congress on High Entropy Alloys (HEA 2019)
||High Entropy Alloys 2019
||P5: Dislocation Emission from Grain Boundaries in High Entropy Alloys Through Atomic Simulations
||Tomotsugu Shimokawa, Kohei Shiotani, Tomoaki Niiyama
|On-Site Speaker (Planned)
Grain boundaries are interfaces between two grains with different crystal misorientation angles and free atomic volumes at the boundaries vary in size from small to large. Because high entropy alloys (HEAs) consist of various kinds of atoms with different atomic radii, there is a possibility that grain boundaries in HEAs is composed of specific atoms based on the relationship between the atomic free volume at grain boundaries and the atomic radii and such grain boundaries influence mechanical properties of HEAs. In this study, we first construct grain boundaries in two-dimensional HEA models through Monte Carlo simulations and then the investigate grain boundary characteristics focusing on atomic free volumes at grain boundaries. Finally, we examine the influence of the grain boundaries characteristics in HEAs on dislocation emission from the grain boundaries by performing tensile and compressive deformation tests through molecular dynamics simulations.