On the role of initial void geometry in plastic deformation of metallic thin films: A molecular dynamics study

YQ Su and SZ Xu, MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 678, 153-164 (2016).

DOI: 10.1016/j.msea.2016.09.091

Void growth is usually considered one of the most critical phases leading to dynamic fracture of ductile materials. Investigating the detailed process of void growth at the nanoscale aids in understanding the damage mechanism of metals. While most atomistic simulations by far assume circular or spherical voids for simplicity, recent studies highlight the significance of the initial void ellipticity in mechanical response of voided metals. In this work, we perform large scale molecular dynamics simulations with millions of atoms to investigate the void growth in plastic deformation of thin films in face-centered cubic Cu. It is found that the initial ellipticity and the initial orientation angle of the void have substantial impacts on the dislocation nucleation, the void evolution, and the stress-strain response. In particular, the initial dislocation emission sites and the sequence of slip plane activation vary with the initial void geometry. For the void size evolution, three regimes are identified: (I) the porosity increases relatively slowly in the absence of dislocations, (II) the porosity grows much more rapidly after dislocations start to glide on different slip planes, and (III) the rate of porosity variation becomes much more slowly when dislocations are saturated in the model, and the void surface becomes irregular, non-smooth. In terms of the stress-strain response, the effects of the initial orientation angle are more pronounced when the initial void ellipticity is large; the influence of the initial void ellipticity is different for different initial orientation angles. The effects of the temperature, the strain rate, the loading direction, and the initial porosity in the void growth are also explored. Our results reveal the underlying mechanisms of initial void geometry-dependent plastic deformation of metallic thin films and shed light on informing more accurate theoretical models.

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