|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Advances in Multi-Principal Elements Alloys X: Structures and Modeling
||Vacancy Defects: Formation Energy and Migration Paths in Multi-principal-element Alloys (MPEAs)
||Ankit Roy, Prashant Singh, Ganesh Balasubramanian, Duane D. Johnson
|On-Site Speaker (Planned)
Refectory-based multi-principal-element alloys (MPEAs) continue to garner great interest due to their remarkable mechanical properties, temperature stability, and higher radiation resistance. Here, using density-functional theory methods, we investigate point-defect energies and migration barriers in (Mo0.95W0.05)0.85Ta0.10(TiZr)0.05 to detail the effects of local chemical environments. Our findings suggest that the degree of lattice distortion in a disordered alloy is proportional to the charge transfer with the nearest neighbors. Stronger charge fluctuations for certain alloying elements were found to increase their migration barriers. Amongst all metals in the alloy, Ti was found to have the lowest migration barrier. However, the low Ti content suggests that the overall deformation due to Ti migration will be insignificant, resulting in negligible material degradation. This deformation resistance is anticipated to impart excellent radiation resistance to this MPEA.
||Planned: TMS Journal: Metallurgical and Materials Transactions