|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||High Entropy Alloys VI
||High-throughput Screening of High Entropy Alloys Using a Computational Thermodynamic Approach
||Chuan Zhang, Fan Zhang, Rui Feng, Michael C Gao, Peter K Liaw
|On-Site Speaker (Planned)
The vastness of unexplored compositions offers both the compelling reason and the challenge in the study of high-entropy alloys (HEAs). To accelerate the pace of discovery promising HEAs, a high-throughput calculation (HTC) tool in the frame of computational thermodynamics is developed and implemented in Pandat<SUP>TM</SUP>, which enables user to perform thousands of calculations in a defined compositional space. Alloy compositions that satisfy user-defined criteria can then be identified through data mining of the thousands of simulated results. This tool allows users to develop alloys with certain properties through design. In this study, the screening results of face-centered-cubic (fcc) single-phase HEAs within the Al-Co-Cr-Fe-Ni system and the body-centered-cubic (bcc) + L2<SUB>1</SUB> duplex HEAs in the Al-Cr-Fe-Mn-Ti system using the HTC tool are demonstrated. Our screening results not only well describe the reported experimental results, but also provide the useful guideline for the development of promising HEAs within these two quinary systems.
||Planned: Supplemental Proceedings volume