Molecular Dynamics Simulations of Carbon Nanotube Reinforced Polymer Composites

Toraman, Gözdenur
Konuk, Mine
Sert, Elif
Toffoli, Hande
Gülaşık, Hasan
Gürses, Ercan
Aim of this study is to investigate the elastic properties of carbon nanotube (CNT) reinforced PEEK (Poly-Ether-Ether-Ketone) composites. For this purpose, first the elastic properties of CNTs are examined at temperatures 0 K and 300 K using Molecular Dynamics (MD) simulation technique. Then the physical and mechanical properties of PEEK bulk matrix are investigated once again with the MD approach. Having studied the CNT and the PEEK separately, the CNT-PEEK interface is examined by using both the Density Functional Theory (DFT) and MD methods
Citation Formats
G. Toraman, M. Konuk, E. Sert, H. Toffoli, H. Gülaşık, and E. Gürses, “Molecular Dynamics Simulations of Carbon Nanotube Reinforced Polymer Composites,” presented at the 9th Ankara International Aerospace Conference (September 2017), Ankara TURKEY, 2017, Accessed: 00, 2021. [Online]. Available: