Tensile behavior and microstructural evolution of TiMoZrV HEAs: a molecular dynamics study

JC Sun and LC Zhuo and BQ Chen and MR Zhan and CH Jiang, APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 130, 95 (2024).

DOI: 10.1007/s00339-023-07255-z

Crystallographic models of TiZrVMo HEAs were established here for six distinct grain sizes ranging from 7.4 to 23.5 nm. A consistent rise in tensile stress maxima is observed with diminishing grain size. Remarkably, the TiZrVMo composition demonstrates its optimal performance at a grain size of 12.4 nm. During tensile processes, TiZrVMo displays pronounced atomic plane slip and an increase in intra-grain dislocations, indicating significant plastic deformation. Conversely, TiZrV3Mo exhibits limited slip and localized stress, signifying a lower degree of plasticity. This research unveils the intricate interplay of grain boundary phenomena, dislocation behavior, and atomic plane slip, thereby shedding light on the mechanical properties of HEAs.

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