Scientists research elasticity of carbon nanotube composites

October 4th, 2023

View of the simulated cell used in the present research. In this case, a cell of polypropylene is shown, consisting of 1 chain with a degree of polymerization N = 100. The molecular weight of polypropylene is Mn = 4210 g·mol−1. The nanotube has a chirality index of (9;0) and length of 18 Å. The nanotube (shown in red color) is oriented in a random direction. Credit: Kazan Federal University

KFU's Laboratory of Computer Design of New Materials and Machine Learning published a paper in International Journal of Molecular Sciences.

Associate Professor Oleg Nedopekin comments, "Creation of composite materials is one of the main directions of modern materials science. When carbon nanotubes are added to a polymer, its mechanical properties are significantly improved. However, above a certain nanotube content, the mechanical properties of the nanocomposite deteriorate, so it is important to know how different concentrations of nanotubes affect the properties of polymers."

The scholars found ways to model the elasticity of polymer-single-walled carbon nanotubes composites.

"We found out how the reinforcement efficiency of polymer composites is influenced by the concentration of carbon nanotubes in the polymer matrix, their size and structure. The general trends in the mechanical properties of nanocomposite materials with matrices made of polypropylene, polyethyl methacrylate, polystyrene were determined," explains Nedopekin.

Thermoplastic polymers, which were the subject of this study, are widely used in aviation, medical industry, construction, household items, and device production. The addition of carbon nanotubes to polymers may greatly increase their durability and life cycles.

More information:
Molecular Dynamics Modeling for the Determination of Elastic Moduli of Polymer–Single-Walled Carbon Nanotube Composites
www.mdpi.com/1422-0067/24/14/11807

Provided by Kazan Federal University