Chain model for carbon nanotube bundle under plane strain conditions

Elena A. Korznikova, Leysan Kh Rysaeva, Alexander V. Savin, Elvira G. Soboleva, Evgenii G. Ekomasov, Marat A. Ilgamov, Sergey V. Dmitriev

Research output: Contribution to journalArticle

Abstract

Carbon nanotubes (CNTs) have record high tensile strength and Young's modulus, which makes them ideal for making super strong yarns, ropes, fillers for composites, solid lubricants, etc. The mechanical properties of CNT bundles have been addressed in a number of experimental and theoretical studies. The development of efficient computational methods for solving this problem is an important step in the design of new CNT-based materials. In the present study, an atomistic chain model is proposed to analyze the mechanical response of CNT bundles under plane strain conditions. The model takes into account the tensile and bending rigidity of the CNT wall, as well as the van der Waals interactions between walls. Due to the discrete character of the model, it is able to describe large curvature of the CNT wall and the fracture of the walls at very high pressures, where both of these problems are difficult to address in frame of continuum mechanics models. As an example, equilibrium structures of CNT crystal under biaxial, strain controlled loading are obtained and their thermal stability is analyzed. The obtained results agree well with previously reported data. In addition, a new equilibrium structure with four SNTs in a translational cell is reported. The model offered here can be applied with great efficiency to the analysis of the mechanical properties of CNT bundles composed of single-walled or multi-walled CNTs under plane strain conditions due to considerable reduction in the number of degrees of freedom.

Original languageEnglish
Article number3951
JournalMaterials
Volume12
Issue number23
DOIs
Publication statusPublished - 1 Dec 2019

Fingerprint

Carbon Nanotubes
Carbon nanotubes
Mechanical properties
Solid lubricants
Continuum mechanics
Computational methods
Rigidity
Yarn
Fillers
Thermodynamic stability
Tensile strength
Elastic moduli
Crystals

Keywords

  • Carbon nanotube bundle
  • Chain model
  • Equilibrium structure
  • Lateral compression
  • Plane strain conditions
  • Thermal stability

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Korznikova, E. A., Rysaeva, L. K., Savin, A. V., Soboleva, E. G., Ekomasov, E. G., Ilgamov, M. A., & Dmitriev, S. V. (2019). Chain model for carbon nanotube bundle under plane strain conditions. Materials, 12(23), [3951]. https://doi.org/10.3390/ma122333951

Chain model for carbon nanotube bundle under plane strain conditions. / Korznikova, Elena A.; Rysaeva, Leysan Kh; Savin, Alexander V.; Soboleva, Elvira G.; Ekomasov, Evgenii G.; Ilgamov, Marat A.; Dmitriev, Sergey V.

In: Materials, Vol. 12, No. 23, 3951, 01.12.2019.

Research output: Contribution to journalArticle

Korznikova, EA, Rysaeva, LK, Savin, AV, Soboleva, EG, Ekomasov, EG, Ilgamov, MA & Dmitriev, SV 2019, 'Chain model for carbon nanotube bundle under plane strain conditions', Materials, vol. 12, no. 23, 3951. https://doi.org/10.3390/ma122333951
Korznikova EA, Rysaeva LK, Savin AV, Soboleva EG, Ekomasov EG, Ilgamov MA et al. Chain model for carbon nanotube bundle under plane strain conditions. Materials. 2019 Dec 1;12(23). 3951. https://doi.org/10.3390/ma122333951
Korznikova, Elena A. ; Rysaeva, Leysan Kh ; Savin, Alexander V. ; Soboleva, Elvira G. ; Ekomasov, Evgenii G. ; Ilgamov, Marat A. ; Dmitriev, Sergey V. / Chain model for carbon nanotube bundle under plane strain conditions. In: Materials. 2019 ; Vol. 12, No. 23.
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