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Predictive modeling of formation of carbon nanostructures

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Abstract

Modern methods of predictive modeling and progress in understanding the mechanisms of self-assembly of carbon atoms into perfect carbon nanostructures achieved using these methods are described. The concept of multiscale modeling which makes it possible to model the formation of carbon nanostructures based on the first principles and in which the role of experimental data is restricted to verification of the models developed is discussed.

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Authors and Affiliations

  1. Kintech Lab Ltd., pl. Akademika Kurchatova 1, 123182, Moscow, Russia

    I. V. Lebedeva, A. A. Knizhnik & B. V. Potapkin

  2. National Research Centre “Kurchatov Institute,”, pl. Akademika Kurchatova 1, 123182, Moscow, Russia

    A. A. Knizhnik & B. V. Potapkin

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  1. I. V. Lebedeva
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  2. A. A. Knizhnik
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  3. B. V. Potapkin
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Correspondence to I. V. Lebedeva.

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Original Russian Text © I.V. Lebedeva, A.A. Knizhnik, B.V. Potapkin, 2012, published in Rossiiskie Nanotekhnologii, 2012, Vol. 7, Nos. 11–12.

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Lebedeva, I.V., Knizhnik, A.A. & Potapkin, B.V. Predictive modeling of formation of carbon nanostructures. Nanotechnol Russia 7, 575–587 (2012). https://doi.org/10.1134/S1995078012060079

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