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Composite Reinforcement using Boron Nitride Nanotubes

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Technical Report,04 Jun 2014,03 Jun 2016

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Boron nitride nanotubes BNNTs have been proposed as a suitable reinforcement for metal matrix composites resulting in materials high mechanical strength. In this work quantum chemical calculations have been carried out to examine the strength of interactions of metals with BNNTs in order to provide insight into their bonding. Calculations were also carried out to study the effect of oxygen on the interactions. Titanium and aluminium are considered due to their relatively low densities, and copper is considered because copper alloys are known to have desirable properties for use as a structural material. Metal atoms, tetra-atomic metal clusters and metal surfaces comprising Al, Ti and Cu are considered, in addition to different crystal faces of an Al slab. Effects including the chirality of the nanotube, its diameter and the influence of vacancy defects and doping with carbon producing boroncarbon nitride nanotubes, BCNNTs have been studied. Ti exhibits the strongest binding to the BNNTs regardless of the conditions impurities, defects or size of the cluster and that C sites on the BCNNTs significantly increase the binding of the metals to the BNNTs. Among the three metals studied, Al is most sensitive to changes in the tube size, imperfections or defects in its atomistic environment, which often results in notable changes of its binding to the system. By contrast, Cu and Ti exhibits quite uniform behaviour and hardly change their binding energy with tube size for the systems investigated. Studies on the interaction of BNNTs with the surfaces of metal slabs found similar results with the main conclusions. Studies on how the interactions present at the interface of small aluminium clusters and boron nitride nanotubes change with the presence of atomic oxygen were also carried out.

Subject Categories:

  • Laminates and Composite Materials
  • Refractory Fibers

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