The influence of Mn content, temperature, and strain rate on the mechanical behavior of FeNiCrCoMn high-entropy alloys under tensile and compressive loads: A molecular dynamics simulation study

ZY Gong and LX Yang and Y Cao and JF Liu and SG Zhou, MATERIALS TODAY COMMUNICATIONS, 46, 112532 (2025).

DOI: 10.1016/j.mtcomm.2025.112532

This study employed molecular dynamics simulations to investigate the effects of tensile and compressive loading on the mechanical properties and organizational evolution of single-crystal FeNiCrCoMn HEAs, considering factors such as Mn content, temperature, and strain rate. The results reveal that both tensile and compressive loads primarily induce FCC/HCP phase transformations during plastic deformation, with dislocations dominated by Shockley dislocations. Interestingly, compressive loading enhances the crystal structure more than tensile loading, likely due to the influence of layer dislocations and twins. Environmental factors like Mn content and temperature reduce properties such as Young's modulus, yield strain, and yield stress under both loads, while a high strain rate improves these properties. However, excessively high strain rates hinder atomic rearrangement, which prevents crystalline phase formation. This work offers valuable insights into optimizing the design and application of FeNiCrCoMn HEAs.

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