| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
High Entropy Alloys IX: Structures and Modeling
|
| Presentation Title |
Atomistic Modeling of Screw Dislocations in Body-centered Cubic High-entropy Alloys |
| Author(s) |
Sheng Yin, Jun Ding, Mark Asta, Robert Ritchie |
| On-Site Speaker (Planned) |
Sheng Yin |
| Abstract Scope |
Recently, much attention has been focused on refractory HEAs. However, unlike fcc-HEAs, there have been fewer investigations on bcc-HEAs, specifically on the dislocation core properties, mobility and possible effects of chemical short-range order (SRO). Here, using density-functional-theory combined with molecular dynamics, we investigate the distribution of dislocation core properties in MoNbTaW RHEAs alloys, how they are influenced by SRO and the mobility of screw/edge dislocations. The averaged core energies are found to be larger than those in the corresponding pure constituent bcc metals, and are relatively insensitive to the degree of SRO. However, the presence of SRO will induce diffuse antiphase boundaries and is shown to have an effect on narrowing the distribution of dislocation core energies and decreasing the spatial heterogeneity of core energies in the RHEA. It is argued that the energy landscape of the dislocations would heterogeneously influence dislocation motion, thereby affecting the mechanical behavior of HEAs. |
| Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |