Size-independent mechanical response of ultrathin carbon nanotube films in mesoscopic distinct element method simulations

Igor Ostanin, Traian Dumitrica, Sebastian Eibl, Ulrich Rüde

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

In this work, we present a computational study of the small strain mechanics of freestanding ultrathin carbon nanotube (CNT) films under in-plane loading. The numerical modeling of the mechanics of representatively large specimens with realistic micro- and nanostructure is presented. Our simulations utilize the scalable implementation of the mesoscopic distinct element method of the waLBerla multi-physics framework. Within our modeling approach, CNTs are represented as chains of interacting rigid segments. Neighboring segments in the chain are connected with elastic bonds, resolving tension, bending, shear, and torsional deformations. These bonds represent a covalent bonding within the CNT surface and utilize enhanced vector model (EVM) formalism. Segments of the neighboring CNTs interact with realistic coarse-grained anisotropic van der Waals potential, enabling a relative slip of CNTs in contact. The advanced simulation technique allowed us to gain useful insights on the behavior of CNT materials. It was established that the energy dissipation during CNT sliding leads to extended load transfer that conditions size-independent, material-like mechanical response of the weakly bonded assemblies of CNTs.

Original languageEnglish (US)
Article number121006
JournalJournal of Applied Mechanics, Transactions ASME
Volume86
Issue number12
DOIs
StatePublished - Dec 2019

Bibliographical note

Funding Information:
IO acknowledges Russian Science Foundation (Grant No. 17-73-10442; Funder ID: 10.13039/501100006769) for the support of the development of the parallel system of modeling carbon nanotubes based on the waLBerla framework. The financial support from the Russian Foundation for Basic Research (Grant No. 18-29-19198; Funder ID: 10.13039/501100002261) is deeply appreciated. TD acknowledges the support from NASA's Space Technology Research (Grant No. NNX16AE03G; Funder ID: 10.13039/100000104) and US Scholar Fulbright program. The simulations presented in the paper were performed on computational clusters Pardus and Zhores (Skolkovo Institute of Science and Technology).

Funding Information:
18-29-19198; Funder ID: 10.13039/501100002261) is deeply appreciated. TD acknowledges the support from NASA’s Space Technology Research (Grant No. NNX16AE03G; Funder ID: 10.13039/100000104) and US Scholar Fulbright program. The simulations presented in the paper were performed on computational clusters Pardus and Zhores (Skolkovo Institute of Science and Technology).

Funding Information:
IO acknowledges Russian Science Foundation (Grant No. 17-73-10442; Funder ID: 10.13039/501100006769) for the support of the development of the parallel system of modeling carbon nanotubes based on the waLBerla framework. The financial support from the Russian Foundation for Basic Research (Grant No.

Publisher Copyright:
Copyright © 2019 by ASME

Keywords

  • Carbon nanotube films
  • Computational mechanics
  • Distinct element method

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