Fig. 4
From: Atomic and electronic basis for the serrations of refractory high-entropy alloys
Structure-dominated tensile property of the BCC HfZrTiNb HEA. a The stress–strain curve at a strain rate of 1 × 10−3 s−1 during tensile testing. The various symbols present the corresponding stress states of the invested configurations. b SEM image of the tensile fracture surface at room temperature, 298 K, representing a viscous-flow-dominated plastic-deformation behavior. c bonding-charge-density isosurface (Δρ = 0.008 e−Å−3) of configurational transformations of ([Zr3-(Ti 4 Hf 4 Nb 3 Zr 1 )]Nb1) (labeled as O1), ([Zr3-(Ti 4 Nb 4 Hf 3 Zr 1 )]Hf1) (labeled as O2), [Ti2Hf1-(Ti 2 Nb 3 Hf 3 Zr 4 )]Nb1 (labeled as R1), [Hf2Zr1-(Ti 4 Nb 3 Hf 2 Zr 3 )]Nb1 (labeled as R2), and [Zr2Hf1-(Zr 2 Nb 3 Hf 3 Ti 4 )]Nb1 (labeled as R3) structures in a 3D view. The insert table presents the details of the first four nearest neighbors of the center atom. Atoms in the CN14 cluster are written in red letters. d–g (100)supercell view of the variations of the bonding-charge-density response to an elastic shear under anormal and shear strain (±0.01). The dashed ellipses and diamonds highlight the response of Δρ to the elastic deformations. Plots of the Δρ isosurfaces are generated by the VESTA code65
