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Modeling of multi-scale processes during plasma-assisted growth of carbon nanotubes

A.V. Vasenkov and V.I. Kolobov
CFD Research Corporation, US

Keywords:
multi-scale computational framework, multi-wall and single-wall carbon nanotubes, chemical vapor deposition, plasma

Abstract:
Multi-Scale Computational Framework (MSCF) has been recently developed for nanostructured materials’ fabrication. This framework integrates a Computational Fluid Dynamic solver for computing reactor scale process, a Kinetic Monte Carlo simulator for the growth of nanostructured material, and an Molecular Dynamic software for computing rates of self-assembly processes. In this study, the MSCF was used to investigate the growth of carbon nanotubes (CNT) in a C2H2/H2 inductively coupled plasma systems. It was found that MSCF is capable of predicting paths for delivering carbon onto catalyst/CNT interface and formation of single wall or multi-wall CNTs depending on the shape of catalyst. The differences in the growth of CNTs in the plasma-assisted and vapor deposition systems are discussed.

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