First Principles Study of Ideal Composites Reinforced by Coherent Nano-Fibres
Ab initio calculations of elastic moduli and theoretical tensile strength of composite lamina having continuous nano-fibre reinforcements are performed using pseudopotential approach within density functional theory. Results for molybdenum or tungsten nano-fibres in vanadium or niobium matrices, presented as case studies, reveal that the theoretical strength approaches the value corresponding to the strength of the reinforcement already at about 60-80% atomic concentration of reinforcing fibres in the composite.
M. Černý and J. Pokluda, "First Principles Study of Ideal Composites Reinforced by Coherent Nano-Fibres", Key Engineering Materials, Vol. 465, pp. 73-76, 2011