Figure 4 | Scientific Reports

Figure 4

From: Molecular Simulation of MoS2 Exfoliation

Figure 4

Pressure, temperature and shear stress distributions in MoS2 after the nanojet impact. (a) At t = 2 ps, the pressure is 40–50 GPa in the red region; 10–20 GPa in the green/yellow region; and around 0 GPa everywhere else. (b) Shows that the pressure is around 10–20 GPa over almost the entire MoS2 at t = 3 ps. (c) Shows that the pressure is released at t = 40 ps. (d) Shows the antisymmetric distribution of shear stress Sxz at t = 2 ps, (−10 to −5 GPa in the blue region, and 5~10 GPa at the center). (e) Shows Sxz spreads to initiate exfoliation at t = 3 ps. (f) Shows that the shear stress is released at t = 40 ps. (g) Temperature in the pit (red) is around 3,000 K, whereas the rest of the sample is around 300 K. (h) shows that the high temperature region becomes 7 nm wide and 1.5 nm deep. Here the temperature in the green and yellow regions is around 1,500 K. (i) Shows that the temperature in MoS2 is uniform and around 1,600 K after exfoliation.

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