Evaluation of Mechanical Properties of Σ5(210)/[001] Tilt Grain Boundary with Self-Interstitial Atoms by Molecular Dynamics Simulation

<div>Schematic of the bicrystal model in different simulation cases. (a) Energy minimization and system relaxation. (b) Shear deformation. (c) Uniaxial tension under free boundary condition. (d) Uniaxial tension under constrained boundary condition. The yellow dots represent the introduced SIAs.</div>

Journal of Nanomaterials

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Figure 1

Figure 1: Evaluation of Mechanical Properties of Σ5(210)/[001] Tilt Grain Boundary with Self-Interstitial Atoms by Molecular Dynamics Simulation 