Experimental production and molecular dynamics analysis of the temperature-dependent elastic, mechanical and anisotropic behavior of the quinary 25Co–25Cu–25Fe–20Ni–5Al high entropy alloy
International Journal of Modern Physics B, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Basım Tarihi: 2026
- Doi Numarası: 10.1142/s0217979226400333
- Dergi Adı: International Journal of Modern Physics B
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aerospace Database, Compendex, INSPEC, zbMATH, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO), Technology Collection (ProQuest)
- Anahtar Kelimeler: anisotropy, elastic, High entropy alloys, LAMMPS, mechanical, temperature
- Ankara Hacı Bayram Veli Üniversitesi Adresli: Evet
Özet
Following the experimental production of the 25Co–25Cu–25Fe–20Ni–5Al quinary high-entropy alloy (HEA), we present a comprehensive molecular dynamics (MD) investigation of its temperature-dependent elastic, mechanical and anisotropic behavior. Combining theoretical analysis with MD simulations over the 0–1500(Formula presented)K temperature range, we report the elastic stiffness constants, along with the bulk (B), shear (G) and Young’s moduli (E), Poisson’s ratio ((Formula presented)) and additional mechanical descriptors, such as experimental and theoretical Vickers microhardness ((Formula presented)). Notably, the theoretical (Formula presented) of 1.18(Formula presented)GPa agrees well with the room-temperature experimental value of (Formula presented)(Formula presented)GPa, validating the currently adopted computational approach. The cubic elastic stiffness constants (C(Formula presented), C(Formula presented) and C(Formula presented)), B, G and E and the (Formula presented) of the alloy decrease with increasing temperature and then level off above about 900(Formula presented)K, with all residual variations remaining below 2%, while the Born mechanical stability conditions remain satisfied throughout. The B/G ratio of 2.3 for the alloy suggests a continuous ductile character, and Poisson’s ratio remains unchanged around 0.31. The universal elastic anisotropy ((Formula presented)) of the alloy remains pronounced throughout: it rises slightly up to 300(Formula presented)K, then decreases steadily, falling by about 18% between 300 and 1500(Formula presented)K, so the alloy becomes progressively less anisotropic at elevated temperatures. Finally, the incorporation of 5 atomic percent (at.%) Al into the Co–Cu–Fe–Ni base raises the configurational entropy to 12.57(Formula presented)J/mol(Formula presented)K, reinforcing the stability of the single-phase face-centered cubic (FCC) solid solution.