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Influence of Copper Atomic Fraction on the Mechanical Properties of FeNiCrCoCu x High⁃Entropy Alloys at High Temperature
Shenlong GAO, Mengjiao ZHAO, Tie SUN, Xiaoxiao DONG
Abstract61)   HTML1)    PDF (3409KB)(23)      

This study systematically investigates the effects of the Cu atomic fraction on the mechanical properties and microscopic deformation mechanisms of FeNiCrCoCuₓ high⁃entropy alloys at 1 000 K using molecular dynamics simulations. The results show that, as the Cu atomic fraction increases, the yield stress decreases from 5.61 GPa to 4.99 GPa and Young's modulus decreases from 70.85 GPa to 53.86 GPa. In contrast, the fraction of atoms transformed from face⁃centered cubic (FCC) to hexagonal close⁃packed (HCP) structures decreases, while the frequency of dynamic recrystallization (DRX) increases significantly. The dislocation density is reduced, lattice distortion is relaxed, and the stress distribution becomes more uniform. Further analysis confirms that Cu addition lowers the stacking⁃fault energy and accelerates DRX, thereby markedly improving ductility without compromising high⁃temperature stability. These findings provide an atomic⁃scale theoretical basis for designing novel high⁃entropy alloys with both high strength and toughness and excellent heat resistance.

2026, 46 (4): 62-68. DOI: 10.12422/j.issn.1672-6952.2026.04.008
Study on the Torsion Strength of Copper Nanowires in Different Crystal Arrangement Using Molecular Dynamics Simulation
Xizhi WANG, Yongqi WANG, Mengjiao ZHAO, Wenquan JIANG
Abstract1786)   HTML13)    PDF (6110KB)(849)      

Through molecular dynamics simulation, the torsional deformation behavior of copper nanowires in different crystal orientations (Ⅰ: x[1 0 0] y[0 1 0] z[0 0 1], Ⅱ: x[1 0 1/8] y[0 1/8 0] z[-1/8 0 1], Ⅲ: x[1 0 1/4] y[0 1/4 0] z[-1/4 0 1]), different crystal orientation ratios (α1=1/6, α2=1/2, α3=5/6), and different numbers of twin interfaces (0, 2, 4) were studied, as well as the relationship between the shear stress and torsion angle of copper nanowires during torsion. The results indicate that change the orientation type contributes to enhancing the torsional mechanical properties of copper nanowires. Reducing the ratio of internal diameter to external diameter also improves the torsional mechanical properties of copper nanowires. Furthermore, decreasing the number of twin interfaces can strengthen the torsional mechanical properties of copper nanowires. The torsion process of copper nanowires can be divided into three stages: elastic, plastic and deformation failure. The research results provide a basis for investigating the torsion of high?strength copper nanomaterials.

2024, 44 (4): 67-74. DOI: 10.12422/j.issn.1672-6952.2024.04.009