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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Environmental Degradation of Multiple Principal Component Materials
Presentation Title Modeling and Design of CoCrFeNi Multi-principle Element Alloys on Their Aqueous Corrosion Resistance via First Principle Calculations
Author(s) Zhengyu Zhang, Liping Liu, Tianyou Mou, Hongliang Xin, Wenjun Cai
On-Site Speaker (Planned) Zhengyu Zhang
Abstract Scope 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.
Proceedings Inclusion? Planned:
Keywords Environmental Effects, High-Entropy Alloys, Modeling and Simulation

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

B-1: Evaluating the Influences of Microstructural Attributes on the High Temperature Oxidation of a AlCoCrFeNi High Entropy Alloy
Computational Investigation of the Trends that Govern the Coefficient of Thermal Expansion in Rare-earth Silicates
Corrosion Interactions between a Candidate Hollandite Waste Form and Stainless Steel
Corrosion Resistance of Al-Cr-Ti Containing Compositionally Complex Alloys
Development of a New Aluminum Dissolvable Alloy for Hydraulic Fracturing Applications
Dynamic and Chemical Processes Associated with Deposit-induced Corrosion Testing at Elevated Temperatures
Enhanced Oxidation Resistance of (Mo95W5)85Ta10(TiZr)5 Refractory Multi-principal Element Alloy up to 1300C
Equivalent Hydrogen Fugacity during Electrochemical Charging of Nickel Single Crystal: Comparison with Gaseous Hydrogen Charging
Experimental and Numerical Assessment of the Corrosion Behavior of a Friction Stir Processed Equiatomic CrMnFeCoNi High Entropy Alloy in a Neutral Environment
Exploring Hydrogen-induced Martensitic Transformation and Twinning Effects Metastable Fe-Mn-Co-Cr High Entropy Alloys
Exploring Untapped Potential in High Entropy Alloys: Combinatorial Exploration in Corrosive Environments
Hydrogen Embrittlement Behavior of Face-centered Cubic High-entropy Alloys
Investigation of Low Temperature Oxidation Behavior of MoNbTaW Thin Films
Joining of FeCrAl Based Alloys for Lead Cooled Fast Reactor Applications
Localized Corrosion Resistance of Ni-Cr-Co-Fe-Mo MPE Alloys in Aqueous and Methanolic Environments
Machine Learning Potential for High Entropy Alloys
Microstructure and Corrosion of Multi-phase Ni-Fe-Cr-Mo-W-X Multi-principal Element Alloys
Modeling and Design of CoCrFeNi Multi-principle Element Alloys on Their Aqueous Corrosion Resistance via First Principle Calculations
Modeling Preferential Dissolution during Aqeous Corrosion of Multi-principal Element Alloys
NOW ON-DEMAND ONLY – Interpretable Machine Learning to Understand Corrosion in Complex Compositional Alloys
Optimization of Multicomponent Rare Earth Silicate Environmental Barrier Coating Properties
Oxidation of Different High Entropy Alloys Under the Influence of Water Vapour
Oxygen Modulation of Miscibility and Ordering in BCC Nb-Ti-Zr Alloys
The Tribocorrosion Behaviors of Al0.1CrCoFeNi Multi-principal Element Alloys in Different pH Conditions

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