Ab initio Study of Elasticity and Strength of Nano-fibre Reinforced Composites

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en

Ab initio calculations of elastic moduli and theoretical uniaxial strength of composite lamina having continuous nano-fibre reinforcements are performed using pseudo-potential plane-wave code. Obtained results are used to verify validity of macro-scale empirical relations for composites (rules of mixtures) on the nano-scale. All quantities are computed from the dependence of crystal energy on a suitable deformation parameter. Results for tungsten nano-fibres in niobium matrix, presented as a particular example of the ab-initio analysis, reveal that bulk moduli of ideal composites follow the simplest form of the linear mixture rule. On the other hand, Young moduli and theoretical strengths exhibit linear dependence on tungsten atomic concentration only till 80% concentration is reached.

nano-fibre composites, ab initio calculations, rules of mixtures, elastic moduli, uniaxial strength

2006-01-01

Springer

Alexandroupolis

1-4020-4971-4

Fracture of Nano and Engineering Materials and Structures

873–

6