Open AccessModeling of atomic interactions in carbon nanotubes
Author(s) -
Małgorzata Chwał,
Aleksander Muc
Publication year - 2020
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/744/1/012008
Subject(s) - carbon nanotube , interatomic potential , materials science , mechanical properties of carbon nanotubes , molecular dynamics , work (physics) , force constant , modulus , carbon fibers , nanotechnology , chemical physics , computational chemistry , thermodynamics , physics , chemistry , nanotube , composite material , quantum mechanics , molecule , composite number
This work concerns atomic potentials applied in the description of carbon nanotubes mechanical behavior. The explicit relations of interatomic forces for different interatomic potentials have been derived. The fluctuations in the values of interatomic potential, interatomic force, elastic constant and Young’s modulus have been put forward to elucidate the similarities and differences between potentials. The present analysis may be helpful in the equivalent continuum modelling of carbon nanotubes and nanocomposites.