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. 2019 Dec 25;10(1):54. doi: 10.3390/nano10010054

Figure 4.

Figure 4

(a) Young’s modulus in the x-direction, Exx, and (b) bimodular factor αbi from all simulations. The domain-size effect is considered by both number of atoms in the domain N and simulation domain volume Vd. α2bi and α1bi describe the bimodularity of T2 and C2, and of T1 and C1 simulations, respectively. The gray shaded area describes the "safe zone", which is discussed in Section 3.5.