Phase prediction of high-entropy alloys based on machine learning and an improved information fusion approach

A Modern Approach to HEAs: From Structure to Properties and Potential Applications

“…These dislocations then slip, leading to the formation of hexagonal close-packed (HCP) structures within the FCC lattice. Conversely, when shock loading is applied along the [110] and [111] directions, the study finds a prevalence of disordered structures. This outcome is linked to inadequate lattice displacement along the <112> direction on the {111} crystal plane of the FCC structure and a lack of coordinated deformation among the <001>, <110>, and <111> directions in the BCT structure.…”

“…It finds that these orientations significantly influence the slip mode and stress concentration areas. Notably, a distinct "pop-in" behavior, indicative of sudden material displacement, is observed in the [111]-oriented sample but not in others, highlighting the orientationdependent mechanical response. Microstructure evolution is shown to be anisotropic across different crystallographic orientations, leading to variations in dislocation density and hardness.…”

“…One study conducted by Jian and Ren delves into the orientation-dependent tensile behaviors of the HfNbTaTiZr refractory high-entropy alloy using molecular dynamic simulations, aiming to enhance its application potential by understanding its mechanical responses. The findings reveal that the alloy's mechanical properties, such as Young's modulus and yield strength, are significantly influenced by its crystallographic orientation during uniaxial tension, with the [111] direction exhibiting the highest values. Moreover, the study identifies deformation mechanisms unique to specific orientations: a BCC-FCC phase transformation when tensile loading is along the [001] direction and a BCC-HCP transformation for [110] or [111] orientations.…”

“…The findings reveal that the alloy's mechanical properties, such as Young's modulus and yield strength, are significantly influenced by its crystallographic orientation during uniaxial tension, with the [111] direction exhibiting the highest values. Moreover, the study identifies deformation mechanisms unique to specific orientations: a BCC-FCC phase transformation when tensile loading is along the [001] direction and a BCC-HCP transformation for [110] or [111] orientations. These insights underscore the importance of crystallographic orientation in tailoring the alloy's microstructure and mechanical performance, offering a pathway to optimize refractory high-entropy alloys for high-temperature and high-strain-rate applications [42].…”

“…During the plastic deformation phase, the study examines the relationship between the P-h curve and the instant defect structure, finding that plastic deformation is primarily governed by the nucleation of Shockley partial dislocations or the movement of stacking faults. The study delves deeper into the impact of crystallographic orientations ([001], [110], and [111]) on the mechanical response and microstructure evolution of the material. It finds that these orientations significantly influence the slip mode and stress concentration areas.…”