Z Q Zhang et al 2008 Nanotechnology 19 395702 doi:10.1088/0957-4484/19/39/395702
Z Q Zhang1, B Liu1,5, Y L Chen1, H Jiang2, K C Hwang1 and Y Huang3,4,5
Show affiliationsCarbon nanotubes (CNTs) used to reinforce polymer matrix composites are functionalized to form covalent bonds with the polymer in order to enhance the CNT/polymer interfaces. These bonds destroy the perfect atomic structures of a CNT and degrade its mechanical properties. We use atomistic simulations to study the effect of hydrogenization on the mechanical properties of single-wall carbon nanotubes. The elastic modulus of CNTs gradually decreases with the increasing functionalization (percentage of C–H bonds). However, both the strength and ductility drop sharply at a small percentage of functionalization, reflecting their sensitivity to C–H bonds. The cluster C–H bonds forming two rings leads to a significant reduction in the strength and ductility. The effect of carbonization has essentially the same effect as hydrogenization.
62.25.-g Mechanical properties of nanoscale systems
81.40.Jj Elasticity and anelasticity, stress-strain relations
Soft matter, liquids and polymers
Issue 39 (1 October 2008)
Received 4 May 2008, in final form 20 July 2008
Published 11 August 2008
Z Q Zhang et al 2008 Nanotechnology 19 395702
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