  Carbon nanoscrolls (CNSs) are structures formed by rolling up graphene layers
into a papyruslike shape. CNNs have been experimentally produced by different
groups. Boron nitride nanoscrolls (BNNSs) are similar structures using boron
nitride instead of graphene layers. In this work we report molecular mechanics
and molecular dynamics results for the structural and dynamical aspects of BNNS
formation. Similarly to CNS, BNNS formation is dominated by two major energy
contributions, the increase in the elastic energy and the energetic gain due to
van der Waals interactions of the overlapping surface of the rolled layers. The
armchair scrolls are the most stable configuration while zigzag scrolls are
metastable structures which can be thermally converted to armchair. Chiral
scrolls are unstable and tend to evolve to zigzag or armchair configurations
depending on their initial geometries. The possible experimental routes to
produce BNNSs are also addressed.
