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The behavior of nanostructures under high strain-rate conditions has beenobject of theoretical and experimental investigations in recent years. Forinstance, it has been shown that carbon and boron nitride nanotubes can beunzipped into nanoribbons at high velocity impacts. However, the response ofmany nanostructures to high strain-rate conditions is still not completelyunderstood. In this work we have investigated through fully atomistic reactive(ReaxFF) molecular dynamics (MD) simulations the mechanical behavior of carbon(CNS) and boron nitride nanoscrolls (BNS) colliding against solid targets athigh velocities,. CNS (BNS) nanoscrolls are graphene (boron nitride) membranesrolled up into papyrus-like structures. Their open-ended topology leads tounique properties not found in close-ended analogues, such as nanotubes. Ourresults show that the collision products are mainly determined by impactvelocities and by two impact angles, which define the position of the scroll(i) axis and (ii) open edge relative to the target. Our MD results showed thatfor appropriate velocities and orientations large-scale deformations andnanoscroll fracture can occur. We also observed unscrolling (scrolls going backto quasi-planar membranes), scroll unzipping into nanoribbons, and significantreconstruction due to breaking and/or formation of new chemical bonds. Forparticular edge orientations and velocities, conversion from open toclose-ended topology is also possible, due to the fusion of nanoscroll walls.

Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions