Phase transitions in carbon nanotube bundles under lateral compression

Dina U. Abdullina; Alexey A. Kudreyko; Elena A. Korznikova; Igor A. Shepelev; Sergey V. Dmitriev

doi:10.1117/12.2565764

9 April 2020 Phase transitions in carbon nanotube bundles under lateral compression

Dina U. Abdullina, Alexey A. Kudreyko, Elena A. Korznikova, Igor A. Shepelev, Sergey V. Dmitriev

Proceedings Volume 11459, Saratov Fall Meeting 2019: Computations and Data Analysis: from Nanoscale Tools to Brain Functions; 1145911 (2020) https://doi.org/10.1117/12.2565764
Event: Saratov Fall Meeting 2019: VII International Symposium on Optics and Biophotonics, 2019, Saratov, Russian Federation

Abstract

Carbon nanotubes (CNTs) have very high mechanical properties and that is why they are used for making super strong and light yarns, ropes, fillers for composites, solid lubricants, etc. Mechanical properties of CNT bundles have been addressed in a number of experimental and theoretical studies. Development of efficient computational methods for solving this problem is an important step in design of new CNT based materials. In the present study, an atomistic chain model is used to analyse mechanical response of CNT crystal under plane strain conditions. The model takes into account tension and bending of CNT wall and the van der Waals interactions. Discrete character of the model allows description of large curvature of CNT wall and CNT fracture at very high pressure. Equilibrium structures of CNT crystal under biaxial, strain controlled loading are obtained and the potential energy of the structure is decomposed into the energy of valence bonds, valence angles and van der Waals interactions. It is shown that the main contribution to the potential energy comes from the energy of valence angles related to bending of CNT walls. The reported simulation results are in a good agreement with the existing literature. The chain model offered here can be efficiently applied to the analysis of mechanical properties of single-walled or multi-walled CNT bundles under plane strain conditions or, under straightforward modifications, to similar structures made of other 2D nanomaterials.

Citation Download Citation

Dina U. Abdullina, Alexey A. Kudreyko, Elena A. Korznikova, Igor A. Shepelev, and Sergey V. Dmitriev "Phase transitions in carbon nanotube bundles under lateral compression", Proc. SPIE 11459, Saratov Fall Meeting 2019: Computations and Data Analysis: from Nanoscale Tools to Brain Functions, 1145911 (9 April 2020); https://doi.org/10.1117/12.2565764

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available

Members: $17.00

Non-members: $21.00 ADD TO CART

PROCEEDINGS
10 PAGES

DOWNLOAD PAPER SAVE TO MY LIBRARY

GET CITATION

RIGHTS & PERMISSIONS

Get copyright permission Get copyright permission on Copyright Marketplace

KEYWORDS

Chemical species

Carbon nanotubes

Graphene

Crystals

Carbon

Crystallography

Computer simulations

Show All Keywords

Keywords/Phrases

Search In:

Publication Years