Elasticity and Strength of Nano-Fiber Reinforced Composites from First Principles

Elasticity and Strength of Nano-Fiber Reinforced Composites from First Principles

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Calculations of elastic moduli and theoretical tensile strength of unidirectional composite having continuous nano-fiber reinforcements are performed using ab initio method. Results for tungsten nano-fibers in vanadium matrix are presented as a particular example of the analysis. The dependence of the computed composite elastic moduli on the atomic concentration of W (nearly corresponding to the volume fraction of fibers) is compared with the rule of mixture for an ideal composite. Results show that validity of the linear mixture rule is theoretically justified for most of them. On the other hand, computed values of theoretical strength exhibit a higher monotonous increase only up to about 60% of W and predict a synergy effect. The related analysis based on a creation of internal stresses at the fibre/matrix interface reveals that, in this way, the synergy effect can be explained only partially.

Calculations of elastic moduli and theoretical tensile strength of unidirectional composite having continuous nano-fiber reinforcements are performed using ab initio method. Results for tungsten nano-fibers in vanadium matrix are presented as a particular example of the analysis. The dependence of the computed composite elastic moduli on the atomic concentration of W (nearly corresponding to the volume fraction of fibers) is compared with the rule of mixture for an ideal composite. Results show that validity of the linear mixture rule is theoretically justified for most of them. On the other hand, computed values of theoretical strength exhibit a higher monotonous increase only up to about 60% of W and predict a synergy effect. The related analysis based on a creation of internal stresses at the fibre/matrix interface reveals that, in this way, the synergy effect can be explained only partially.

ab initio calculations, nanocomposites, strength, elastic moduli

ab initio calculations, nanocomposites, strength, elastic moduli

ČERNÝ, M.; POKLUDA, J.

01.07.2009

0000000000000

Proceedings of the 12th International Conference on Fracture

T03.002

T03.002

7