Molecular Dynamic Simulation of Carbon Nanostructures Formation

Abstract:

This paper is devoted to the study of stable structures of various carbon nanomaterials using molecular dynamic simulation, study of their properties and characteristics, as well as search for possible later use in nanoelectronics and nanomechanics. 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.

• Periodical: Advanced Materials Research (Volume 1040)
• Pages: 92-96
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1040.92
• Online since: September 2014
• Authors: Denis A. Tatarnikov*, Aleksey V. Godovykh
• Keywords: Carbon Nonostructures, Molecular Dynamic (MD), Nanotechnology, Simulation

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