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Properties Modeling of Low-Dimensional Carbon Nanostructures

Published online by Cambridge University Press:  02 March 2011

Andrew Basteev ,
Leonid Bazyma ,
Mykhaylo Ugryumov ,
Yuriy Chernishov  and
Margarita Slepicheva
Andrew Basteev
Affiliation:
National Aerospace University, Kharkov Aviation Institute “KhAI”, 17 Chkalov Str., Kharkov, 61070, Ukraine.
Leonid Bazyma
Affiliation:
National Aerospace University, Kharkov Aviation Institute “KhAI”, 17 Chkalov Str., Kharkov, 61070, Ukraine.
Mykhaylo Ugryumov
Affiliation:
National Aerospace University, Kharkov Aviation Institute “KhAI”, 17 Chkalov Str., Kharkov, 61070, Ukraine.
Yuriy Chernishov
Affiliation:
National Aerospace University, Kharkov Aviation Institute “KhAI”, 17 Chkalov Str., Kharkov, 61070, Ukraine.
Margarita Slepicheva
Affiliation:
National Aerospace University, Kharkov Aviation Institute “KhAI”, 17 Chkalov Str., Kharkov, 61070, Ukraine.
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Abstract

The modeling of single wall carbon nanotubes properties (length, diameter, chirality, defective wall structure) influence on sorption capability at different thermodynamic conditions (T= 80-273 К; P = 2-12 MPa) is presented in this work. The applied simulation procedure is the molecular dynamics as well the new event-driven simulation algorithm has been used. In the frameworks of this event-driven simulation algorithm the modeling of structure formation for carbon nanotubes have been done with different chirality and with wall defects presence. The analysis of obtained results and their comparison with published experimental and theoretical results are performed.

Keywords

absorptionenergy storageC
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1284: Symposium C – Fundamentals of Low-Dimensional Carbon Nanomaterials , 2011 , mrsf10-1284-c10-30
Copyright
Copyright © Materials Research Society 2011

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References

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