Geodesic
Simulation of the process of carbon nanotubes system self-organization
Matematičeskoe modelirovanie, Tome 30 (2018) no. 9, pp. 100-110

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In this work we developed a coarse grained numerical model for simulation of a selforganization process of carbon nanotubes system under applied electric field. The model describes polarization of nanotubes in the system with electric field and also includes Van der Waals interaction between nanotubes. We developed an iterative algorithm of particle charge calculation in nanotube that provides a significant speedup of the calculation. Another advantage of this algorithm is better scaling of the calculation time as a function of system size. The results of the model application for calculation of selforganization process dynamics of carbon nanotubes are demonstrated.
Keywords: coarse grained modeling, self-organization
Mots-clés : coulomb interaction, carbon nanotubes. 
@article{MM_2018_30_9_a6,
     author = {A. A. Knizhnik and I. A. Iudintsev},
     title = {Simulation of the process of carbon nanotubes system self-organization},
     journal = {Matemati\v{c}eskoe modelirovanie},
     pages = {100--110},
     publisher = {mathdoc},
     volume = {30},
     number = {9},
     year = {2018},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_2018_30_9_a6/}
}
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A. A. Knizhnik; I. A. Iudintsev. Simulation of the process of carbon nanotubes system self-organization. Matematičeskoe modelirovanie, Tome 30 (2018) no. 9, pp. 100-110. http://geodesic.mathdoc.fr/item/MM_2018_30_9_a6/