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Boron Nitride Nanotubes: Force Field Parameterization, Epoxy Interactions, And Comparison With Carbon Nanotubes For High-Performance Composite Materials, Swapnil S. Bamane, Michael B. Jakubinek, Krishan Kanhaiya, Behnam Ashrafi, Hendrik Heinz, Gregory Odegard

Michigan Tech Publications

Boron nitride nanotubes (BNNTs) are a very promising reinforcement for future high-performance composites because of their excellent thermo-mechanical properties. To take full advantage of BNNTs in composite materials, it is necessary to have a comprehensive understanding of the wetting characteristics of various high-performance resins. Molecular dynamics (MD) simulations provide an accurate and efficient approach to establish the contact angle values of engineering polymers on reinforcement surfaces, which offers a measure for the interaction between the polymer and reinforcement. In this research, MD simulations and experiments are used to determine the wettability of various epoxy systems on BNNT surfaces. The reactive …