This paper investigates void growth and interaction in a
single crystal silicon cubic box under hydrostatic tension by performing
three-dimensional strain-controlled molecular dynamics simulations. Two types
of fracture behaviors are observed: brittle cleavage on void surface and
ductile void coalescence in the inter-void ligament. A critical initial
inter-void ligament distance is suggested to be the transition criterion for
distinguishing the two behaviors. When the distance between the voids is less
than the critical initial inter-void ligament distance, the silicon cube tends
to fracture via void coalescence. We demonstrate that the nano-ductility of
single crystal silicon is due to vacancy diffusion triggered by void surfaces,
which is different from that of metals. In addition, the effect of temperature
on the nano-ductility is also investigated. Single crystal silicon becomes
ductile at high temperature due to the thermal activated vacancy diffusion.
Voids growth and interaction in single crystal silicon cubes are investigated.
Two fracture behaviors are observed: brittle cleavage and ductile void
The brittle–ductile transition depends on initial inter-void ligament distance.
Initial inter-void ligament distance increase with void radius increasing.
Nano-ductility in single crystal Si is due to vacancies diffusion in the
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