Properties Modeling of Low-Dimensional Carbon Nanostructures

Autor:	Leonid Bazyma, Mykhaylo Ugryumov, Yuriy Chernishov, Andrew Basteev, Margarita Slepicheva
Rok vydání:	2011
Předmět:	Carbon nanostructures Molecular dynamics Work (thermodynamics) Materials science Structure formation law Chemical physics Sorption Carbon nanotube Absorption (electromagnetic radiation) Chirality (chemistry) law.invention
Zdroj:	MRS Proceedings. 1284
ISSN:	1946-4274 0272-9172
DOI:	10.1557/opl.2011.224
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3c14941a991e6c4728840a766eb1cb5a https://doi.org/10.1557/opl.2011.224 Zobrazit plný text záznamu Full text from SpringerLink