Numerical simulation of the mechanical behavior of a carbon nanotube bundle
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O R I G I NA L PA P E R
Daniel Mählich · Oliver Eberhardt · Thomas Wallmersperger
Numerical simulation of the mechanical behavior of a carbon nanotube bundle
Received: 11 May 2020 / Revised: 29 September 2020 / Accepted: 23 October 2020 © The Author(s) 2020
Abstract Due to their outstanding mechanical properties, carbon nanotubes (CNTs) are very promising materials for further applications in the field of lightweight construction. Carbon nanotube fibers, whose structure consists of a multitude of load-bearing carbon nanotube bundles interconnected by threads, are an excellent possibility to utilize these properties as engineering material. In the present research, a new method for the prediction of the mechanical properties of carbon nanotube bundles is presented. Within this, the complex structure is transformed into a simplified model based on suitable assumptions. Several parameters of the bundle are taken into account such as different types of nanotubes and various nanotube lengths. The model is applied to different configurations of carbon nanotube bundles by using a molecular mechanics approach. The interactions between the nanotubes are investigated by analyzing the Lennard–Jones potential in a virtual tensile loading test. For different configurations, the resulting forces and stresses are obtained. The results give a clear insight into the influencing parameters and demonstrate their effect on the mechanical behavior. In conclusion, the present approach is an excellent method to analyze the mechanical behavior of CNT bundles.
1 Introduction The singular mechanical properties of carbon nanotubes (CNTs) have opened many areas of application. The ongoing interest for this outstanding material is based on the discoveries made by Iijima in 1991 [1]. Since then, carbon nanotubes have been the subject of numerous and manifold studies. This includes the investigation of their properties as well as the consideration of this material for versatile applications, e.g., from medicine and electronics to applications for lightweight construction [2]. In particular, the outstanding mechanical properties of carbon nanotubes are desirable for many technical applications, e.g., in composites [3] and for nanoscale reinforcements [4]. The fabrication of fibers from carbon nanotubes is one specific example of utilizing the characteristics for technical lightweight applications [5]. The structure of the carbon nanotube fibers consist of bundles formed by a multitude of carbon nanotubes as well as threads interconnecting those bundles mainly in the transversal direction. The major load is borne by the bundles which are oriented in the longitudinal direction of the fiber. Lu et al. summarize in their work the state of the art and the challenges about the mechanical characteristics of carbon nanotube fibers [6]. The comparison of CNT fibers, produced with various methods, shows huge differences in their mechanical properties. As shown in experimental investigations, the specific load-carrying capacity of singular carbon nanot
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