Computer simulation of carbon nanostructures

Author

Tatarnikov, D.A.

Author_Institution

National Research Tomsk Polytechnic University (TPU), Tomsk, Russia

fYear

2012

fDate

18-21 Sept. 2012

Firstpage

1

Lastpage

3

Abstract

In the work we develop programs for computation of the system of atoms at every step and visualization of that data, also we research of thermodynamic properties and conditions of formation of different carbon nanostructures, try to predict existence of new materials. Nowadays we have two separate programs: one for computation and one for visualization. We continue to collect statistical data, investigate behavior of the system under different conditions. Also we go to the parallelization of the algorithms using MPI in order to work with large quantity of atoms with less time of computation.

Keywords

application program interfaces; carbon nanotubes; data visualisation; materials science computing; message passing; molecular dynamics method; nanostructured materials; statistical analysis; thermodynamic properties; MPI; carbon nanostructures; computer simulation; data visualization; formation conditions; message passing interface; statistical data collection; thermodynamic properties; Carbon; Computer simulation; Data visualization; Materials; Mathematical model; Nanostructures; Temperature control; carbon nonostructures; molecular dynamic; nanotechnology; simulation;

fLanguage

English

Publisher

ieee

Conference_Titel

Strategic Technology (IFOST), 2012 7th International Forum on

Conference_Location

Tomsk

Print_ISBN

978-1-4673-1772-6

Type

conf

DOI

10.1109/IFOST.2012.6357593

Filename

6357593