Figure 4

DFT model system simulating Ni₂Si nanowire in (a) and in (b) stress versus strain behaviors measured by tensile tests (the black line) and calculated by first principles DFT computings (the blue line) in the [010] direction of the Ni₂Si nanowire. The red line in (b) shows experimental results for a bulk Ni₂Si intermetallic compound (8 mm in diameter and 10 mm in length) tested by loading compressive stress. The inset depicts the stress response at engineering strains less than 1.5 % before significant fluctuations appeared due to the formation and growth of cracks in the bulk Ni₂Si sample.