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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Advances in Multi-Principal Elements Alloys X: Structures and Modeling
Presentation Title Critical Shear Stress Distributions and Dislocation Mobility in FeNiCrCoCu High Entropy Alloys via Atomistic Simulations
Author(s) Yixi Shen, Douglas Spearot
On-Site Speaker (Planned) Yixi Shen
Abstract Scope The critical shear stress necessary to initiate dislocation movement and the relationship between shear stress and velocity, known as a dislocation mobility law, is investigated in FeNiCrCoCu high entropy alloys (HEAs) using atomistic simulations. First, Monte Carlo calculations show that chemical short-range order is minimal in this HEA with equiatomic composition, which makes it ideal to study the influence of local distortion. Then, molecular statics calculations show that critical shear stresses to unpin a dislocation are found to have a large spread, with mean value of 96MPa and a standard deviation of 63MPa for a screw dislocation. Details associated with dislocation mobility laws are found to be unique in HEAs. For example, phonon damping coefficients in the HEA do not show linear dependence on temperature. Significant waviness in the leading and trailing partial dislocations is observed in HEAs and is correlated with the ability of individual dislocations to glide.
Proceedings Inclusion? Planned: TMS Journal: Metallurgical and Materials Transactions
Keywords High-Entropy Alloys, Computational Materials Science & Engineering, Modeling and Simulation


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