Abstract
The structural and elastic properties of diamond nanocomposites and ultrananocrystalline diamond films (UNCD) are investigated using both empirical potentials and tight-binding schemes. We find that both materials are extremely hard, but their superb diamondlike properties are limited by their sp 2 component. In diamond composites, the sp 2 atoms are found in the matrix and far from the interface with the inclusion, and they are responsible for the softening of the material. In UNCD, the sp 2 atoms are located in the grain boundaries. They offer relaxation mechanisms which relieve the strain but, on the other hand, impose deformations that lead to softening. The higher the sp 2 component the less rigid these materials are.
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