Accession Number : ADA601233


Title :   Composite Reinforcement using Boron Nitride Nanotubes


Descriptive Note : Final rept. 11 Mar 2013-10 Mar 2014


Corporate Author : QUEENSLAND UNIV BRISBANE (AUSTRALIA)


Personal Author(s) : Bernhardt, Debra J


Full Text : http://www.dtic.mil/get-tr-doc/pdf?AD=ADA601233


Report Date : 09 May 2014


Pagination or Media Count : 10


Abstract : Boron nitride nanotubes have been proposed as a suitable reinforcement for metal matrix composites. In order to be effective, the interaction between the metal and the nanotube needs to be strong while retaining the nanotube structure. This project involves the use of computational quantum chemistry to study interactions of aluminium \201Al\202 and titanium \201Ti\202 metal clusters with boron nitride nanotubes \201BNNT\202. First-principles density-functional theory plus dispersion \201DFT-D\202 calculations were carried out using the DMol3 module in Materials Studio. Preliminary results were obtained by considering interactions of the nanotubes with small clusters of 1?4 metal atoms. The effect of varying the radius of the nanotubes and the size of aluminium and titanium clusters was considered. In addition the strength and nature of the binding to both pristine and defective boron nitride nanotubes was compared. The results suggest that strong binding of Al and Ti with BNNTs can be obtained, and that this is obtained with little disruption to the BNNT structure. When defects are present in the tubes, the binding becomes stronger, and Al or Ti atoms are incorporated into the structure of the BNNT to repair the defect.


Descriptors :   *BORON NITRIDES , *METAL MATRIX COMPOSITES , *REINFORCING MATERIALS , ALUMINUM ALLOYS , AUSTRALIA , CARBON NANOTUBES , COMPOSITE MATERIALS , COMPOSITE STRUCTURES , QUANTUM CHEMISTRY , TITANIUM ALLOYS


Subject Categories : Inorganic Chemistry
      Laminates and Composite Materials


Distribution Statement : APPROVED FOR PUBLIC RELEASE