|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Environmental Degradation of Multiple Principal Component Materials
||Modeling and Design of CoCrFeNi Multi-principle Element Alloys on Their Aqueous Corrosion Resistance via First Principle Calculations
||Zhengyu Zhang, Liping Liu, Tianyou Mou, Hongliang Xin, Wenjun Cai
|On-Site Speaker (Planned)
Multi-principle element alloys (MPEAs) such as equiatomic CoCrFeNi have been studied extensively for their outstanding mechanical and corrosion properties, but little is known about their properties if the composition is off-equiatomic. In this work, we proposed a computational method as a first step in ferromagnetic multi-principle element alloy design to simulate MPEAs with different Cr contents; the corrosion and mechanical properties of CoCrFeNi MPEAs was studied by first principle method. The effects of Cr content on bulk modulus, electronic work function and anisotropy of CoCrFeNi MPEAs were discussed. Our simulation results revealed that CoCrFeNi with higher Cr content exhibit better corrosion resistance compared with equiatomic CoCrFeNi or their lower Cr counterparts. In addition, crystallographic orientation was also found to play a significant role affecting surface properties of MPEAs. These discoveries may shed light on the future design principles of off-equiatomic MPEAs for enhanced surface properties.
||Environmental Effects, High-Entropy Alloys, Modeling and Simulation