|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||Determination of Young’s Modulus and Phase Prediction using Classical Molecular Dynamics in Refractory HEAs
||Ankit Roy, Ganesh Balasubramanian
|On-Site Speaker (Planned)
High-entropy alloys (HEAs) are an exciting new class of alloys which have gained significant attention since 2004 due to the potential in showing promising mechanical properties. In this work we use classical molecular dynamics simulations to subject the alloys of the refractory Mo-Ta-Ti-W-Zr HEA family to tensile loading and obtain the Young’s modulus from the stress-strain behavior. The values of the Young’s modulus obtained are in reasonable agreement with the experimental values obtained by testing the synthesized samples. This validation ensures the correctness of the MD model. Following this, a structural pair correlation analysis (g (r)) in combination with common neighbor analysis (CNA) of the alloys are performed which together reveal the phases and crystal structures present in the alloys. The results of these predictions are compared with the XRD phase analysis and a good agreement is noted.
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume