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high entropy alloys

mohsenzaeem's picture

Generalized stacking fault energies, ductilities, and twinnabilities of CoCrFeNi-based face-centered cubic high entropy alloys

Effects of Cu, Mn, Al, Ti, Mo on generalized stacking fault energies, Rice-criterion ductilities, and twinabilities of CoCrFeNi-based face-centered cubic high entropy alloys were investigated using density functional theory calculations. The calculated barrier energies and twinnabilities revealed that the addition of Ti or Mo increased the tendency of dislocation glide and deformation twinning, while addition of Mn, Cu and relatively high amount of Al facilitated dislocation gliding and martensitic transformation. Low amount of Al resulted in only dislocation gliding.

mohsenzaeem's picture

Investigating phase formations in cast AlFeCoNiCu high entropy alloys by combination of computational modeling and experiments

Selection and thermal stability of phases are important in design of high entropy alloys (HEA). In this study, phase formations in cast AlFeCoNiCu HEA were investigated. Ab-initio molecular dynamics (AIMD) simulations were used to determine crystal structures of phases at different temperatures in equiatomic composition of AlFeCoNiCu. The AIMD results showed a possible coexistence of a face-centered cubic (fcc) phase and a bodycentered cubic (bcc) phase at the room temperature and indicated stabilization of a single fcc phase above 1070 K at the equiatomic composition of AlFeCoNiCu.

ludovicnoels's picture

PhD position in development of cracking computational models in high entropy alloys

We are looking for a highly motivated PhD candidate for a project related to the development of cracking computational models in high entropy alloys.

Context

In the frame of a collaborative project between three universities (Ulg, UCL and ULB), the main objective of the offered PhD position will be to develop a numerical modeling framework for cracking in high entropy alloys, known for their high toughness properties.

PhD opportunity

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