We investigated the mechanism of generation of grain boundaries (GBs) in graphite usingmolecular dynamics simulations. The mechanical properties of multicrystalline graphitecontaining GBs were also investigated. It was found that a larger GB is generated when thedistance that two crystallites move apart in the armchair direction increases. In addition,unconnected sheets of graphene form when the GBs are generated between two crystallites withorientation angles of 0° and 45°. Furthermore there is a decrease of 84 % in the tensile strengthof multicrystalline graphite with GBs generated between sixteen crystallites with an orientationparameter of 85 %.
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