First Principles Study of Vanadium Based Composites Reinforced by Tungsten Nano-fibers

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en

Calculations of elastic moduli and theoretical uniaxial strength of unidirectional composite having continuous nano-fiber reinforcements are performed using ab initio method. All quantities are computed from the dependence of crystal energy on a suitable deformation parameter. 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 simple increasing dependence on atomic concentration of W only up to about 70% concentration. Then the values become saturated or even slightly decrease.

ab inito calculations, nano-composites, theoretical strength

2006-11-13

VUTIUM

FSI VUT Brno

80-214-3331-0

Nano 06

297–300

4