| About this Abstract |
| Meeting |
Materials Science & Technology 2020
|
| Symposium
|
High Entropy Materials: Concentrated Solid Solution, Intermetallics, Ceramics, Functional Materials and Beyond
|
| Presentation Title |
Atomistic Simulations Evince the Sluggish Diffusion in Refractory HEAs |
| Author(s) |
Ankit Roy, Joydeep Munshi, Ganesh Balasubramanian |
| On-Site Speaker (Planned) |
Ankit Roy |
| Abstract Scope |
HEAs have attracted significant attention due to excellent mechanical properties at elevated temperatures. While below the transition temperature the primary resistance to deformation is gained through solid solution strengthening in HEAs, the resistance to creep deformation above transition temperature is governed by atomic diffusion. Despite its significance in manufacturing industries, investigating diffusion at elevated temperatures is experimentally difficult due to measurements and oxidation issues. We employ molecular dynamics with first principles to examine atomic diffusion in a refractory HEA comprising of Mo-Ta-Ti-W-Zr. The results reveal that diffusion in HEAs near melting temperature is several orders of magnitude smaller than diffusion in reference metals in the pure state providing evidence of high creep resistance responsible for excellent mechanical properties at elevated temperatures. A deeper investigation reveals that the formation of low energy atomic traps in the lattice of HEAs increases the energy required for an atom to migrate to a vacancy. |