Modified Embedded Atom Method Study of the Mechanical Properties of Carbon Nanotube Reinforced Nickel Composites
Abstract
We report a computational study of the mechanical behavior of nanocomposite materials that are formed by incorporating aligned carbon nanotubes (CNTs) into a bulk nickel matrix. Mechanical properties of these novel materials are predicted and strain-stress relationships are investigated by atomistic calculations with interactions derived from the modified embedded-atom method (MEAM). The Ni/CNT composites are simulated using three single-walled nanotubes (SWCNTs) with varying diameters and a multi-walled (MWCNT) nanotube. Simulations predict that all Ni/CNT composites are mechanically stable. Within the small elastic deformation regime, the Ni/CNTs show a very high Young's modulus compared to FCC nickel. In the longitudinal direction, the direction in which the CNTs are aligned, the single-crystal Ni/CNTs show a Young's modulus ranging from 0.3 TPa for Ni/SWCNT(5,0) to 0.5 TPa for Ni/SWNCT(15,0). Ni/MWCNT shows the highest value of 0.6 TPa for Young's modulus. These values are slightly lower than the corresponding pristine nanotubes.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 2010
- Accession Number
- ADA522080
Entities
People
- Angela K. Wilson
- Jamal Uddin
- Michael Baskes
- S. Srinivasan
- Thomas R. Cundari
Organizations
- University of North Texas