| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Refractory Metals 2023
|
| Presentation Title |
Thermal Transport Modeling in Refractory Multi-principal Element Alloys: A High-throughput Density-functional Theory Approach |
| Author(s) |
Prashant Singh, Brent Vela, Raymundo Arroyave, Duane D. Johnson |
| On-Site Speaker (Planned) |
Prashant Singh |
| Abstract Scope |
Additive manufacturing or 3D printing of entropy-stabilized multi-principal element alloys (MPEAs) marks the key advancement in alloy synthesis. However, the complex atomic environment in MPEAs can lead to significantly different atomic mass/size (includes lattice distortion/strain) and electronic interactions (includes formation enthalpy and chemical correlations) that may reduce the thermal conductivity, opening the door for understanding the role of extreme disorder on thermal conductivity. The high-throughput density-functional theory was used to perform thermal conductivity calculations of approximately 2000 refractory based Mo-W-Nb-Ta-V-Ti-Zr-Al MPEAs. We found that element specific disorder can be used to effectively tune the thermal conductivity without compromising mechanical response such as strength and ductility. Our results present a design guide for high-performance MPEAs for additive manufacturing or 3D printing that satisfy the ULTIMATE specifications. |
| Proceedings Inclusion? |
Undecided |
| Keywords |
Modeling and Simulation, High-Entropy Alloys, Additive Manufacturing |