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Molecular dynamics study on axial elastic modulus of carbon nanoropes

Mehralian Fahimeh, Firouz-Abadi R. D., Norouzi M.

Archives of Civil and Mechanical Engineering

2019

Vol. 19, no. 4

1127--1134

Carbon nanoropes (CNRs) are of interest for a wide variety of nanotechnological applica-tions. Since little attention has been paid to mechanical properties of CNRs, their axial elasticmodulus is explored herein. Molecular dynamics (MDs) simulations are adopted for analysisof Young's modulus of CNRs. It is also shown that increase in the initial helical angledecreases Young's modulus; however, by increase in the number of CNTs and strands,different influence on Young's modulus emerges. Therefore, the highest value of Young'smodulus obtained at the lower value of initial helical angle and consequently, Young'smodulus of bundle of straight CNTs is higher than CNRs with hierarchical helical structure. Itis further observed that Young's modulus experiences a non-monotonic variation withrespect to the number of CNTs (n) and strands (N) such that the increasing procedure ofYoung's modulus with respect to the number of CNTs and strands switches to decrease onesat n = 4 and N = 3. Therefore, the results obtained in the present study assist to control theelastic property of CNR by suitable design of number of CNTs, strands and initial helicalangle of CNT and strand and can lead to inspire optimal design of advanced nanostructures.