期刊
SUPERLATTICES AND MICROSTRUCTURES
卷 77, 期 -, 页码 54-63出版社
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.spmi.2014.11.002
关键词
Functionalized carbon nanotubes; Diethyltoluenediamines; Mechanical properties; Buckling; Molecular dynamics
Carbon nanotube (CNT) modification processes are of great importance for good dispersion of CNTs and load transfer issues in nanocomposites. Among these processes, polymer covalent functionalization is found to be an effective way to alter the mechanical properties and behavior of pristine CNTs. Therefore, the mechanical properties and buckling behavior of diethyltoluenediamines (DETDA) functionalized CNTs are investigated employing molecular dynamics (MD) simulations. The results demonstrate that as the polymer weight percentage increases, Young's modulus and critical buckling load increase almost linearly for both regular and random polymer distributions, whereas critical strain decreases with different trends depending on the type of polymer distribution. Finally, the buckling mode shapes of the presented models are illustrated and it was revealed that there are some differences between the mode shapes of functionalized CNTs and those of pristine CNTs. (C) 2014 Elsevier Ltd. All rights reserved.
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