|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||High Entropy Alloys V
||Atomistic Modeling of Solid-solution Structures of High Entropy Alloys
||Guofeng Wang, Zhenyu Liu, Yinkai Lei
|On-Site Speaker (Planned)
To computationally address the structural complexities of high entropy alloys (HEAs), we have recently used atomistic modeling methods to predict the solid-solution stability of CoCrFeNi and AlCoCrFeNi HEAs. In our atomistic simulations, the interatomic interactions were described with the modified embedded atom method (MEAM). Using the Monte Carlo (MC) simulations based on the developed MEAM potentials, we sampled the thermodynamically equilibrium structures of the CoCrFeNi alloy and further predicted that the CoCrFeNi alloy could form an fcc solid solution phase with high configurational entropy of 1.329R at 1373 K. Furthermore, we studied the stability of fcc and bcc solid-solution phases of AlxCoCrFeNi HEAs with varying Al content x at 1300 K using the atomistic simulation methods. We predicted that the AlxCoCrFeNi HEAs would form a single fcc solid-solution phase when x<0.44 and a single bcc solid solution phase when x>1.75. Our theoretical results are quite consistent with experimental observations.
||Planned: Supplemental Proceedings volume