Molecular dynamics insights into the coalescence of closely- packed voids

Abstract eng:
Both the void clustering effects with fixed-size voids and changing-size voids under uniaxial load are studied via molecular dynamics (MD) method. Large nanovoids up to 50 nm in diameter are focused in this study. The total number of atoms in the system ranges from 0.32 million to 95.4 million. The corresponding stress-strain relation and void volume fraction are monitored during the microstructure evolution of the specimens. For the larger changing-size voids inside the fixed-size simulation box, the critical strain to trigger dislocation shows a very weak dependence on the void size. The dislocation emission pattern is highly subject to the initial intervoid ligament distance (ILD) with a strong clustering effect. For the void cluster, larger voids with short initial ILD tend to reach larger coalescence porosity. The highlands on the void surface, formed due to the presence of dislocation structure, cause the local breakdown of the intervoid ligament.

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