Modeling nanocomposite materials
DOI:
https://doi.org/10.18372/2306-1472.28.1355Abstract
The Monte Carlo simulation of the single- and double-walled carbon nanotubes (CNT), intercalated by the different metals is carry ouied. The interrelation between the length of CNT, number and type of the metal atoms is established. The research is aimed at studying intercalated systems based on CNTs and d-metals, such as Fe and Ni. Factors influencing the stability of these composites have been determined theoretically by the Monte Carlo method with the Tersoff potential.
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