Fig. 2
From: Atomic and electronic basis for the serrations of refractory high-entropy alloys
Structure-dominated compressive property of the BCC MoTaNbW HEA. a The stress–strain curve at a strain rate of 1 × 10−3 s−1 during compressive testing. The various symbols present the corresponding stress states of the invested configurations. b SEM image of the compression fracture surface at room temperature, 298 K, representing a viscous-flow-dominated plastic-deformation behavior (assuming that the weak spots follow a Newtonian-flow behavior with an average viscosity25, 52). c Bonding-charge-density isosurface (Δρ = 0.009 e-Å−3) of configurations of [W3-(Ta 4 Mo 4 Nb 3 W 1 )]Nb1 (labeled as O1), [W3-(Ta 4 Nb 4 Mo 3 W 1 )]Mo1 (labeled as O2), [Ta2Mo1-(Ta 2 Nb 3 Mo 3 W 4 )]Nb1 (labeled as R1), [Mo2W1-(Ta 4 Nb 3 Mo 2 W 3 )]Nb1 (labeled as R2), and [W2Mo1-(W 2 Nb 3 Mo 3 Ta 4 )]Nb1 (labeled as R3) structures in a 3D view, respectively. The insert table presents the details of the first four nearest neighbors of the center atom. Atoms in the CN14 cluster are depicted in red letters. d–h (100)supercell view of the variations of the bonding-charge-density response to an elastic shear under a normal and shear strain (±0.01). The dashed ellipses, circle, and octagon highlight the response of Δρ to the elastic deformations. Plots of the Δρ isosurfaces are generated by the VESTA code65
