First Principles Study of Ideal Composites Reinforced by Coherent Nano-Fibres

Abstract:

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.

• Periodical: Key Engineering Materials (Volume 465)
• Pages: 73-76
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.465.73
• Online since: January 2011
• Authors: Miroslav Černý, Jaroslav Pokluda
• Keywords: Ab Initio Calculation, Nanocomposite, Theoretical Strength

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