In this paper the results of the computer simulation of the oxygen atom interaction with carbon and boron nitride nanostructures are presented. We apply density functional theory method for studying oxygen adsorption on nanostuctures and density functional tight-binding method for modeling hyperthermal oxygen atom impact on these objects. Various nanostructures: carbon and boron nitride nanotubes (CNTs, BNNTs), graphene and sheet of hexagonal boron nitride (h-BN), nanoribbons, etc., will be in the near future applied in spacecraft design both as fillers in nanocomposites and as separate materials. Such materials can be situated on the external surface of spacecraft. In low-Earth orbits (LEO) one of the main factors that cause the surface materials damage is atomic oxygen (AO) of the Earth's upper atmosphere. High relative kinetic energy of oxygen atoms (about 5 eV) due to the spacecraft orbital velocity enhances their reactivity and opens additional pathways of their reaction with near-surface layers of materials. AO impact leading to erosion and mass losses of materials is well studied for conventional bulk spacecraft materials but the data concerning the damage of nanostructures and nanomaterials under AO exposure are quite limited, and the computer simulation can become an efficient mean for its investigation. In this paper the results of computer simulation of the structural changes of the mentioned nanostructures, including CNT and BNNT unzipping, under the attack of oxygen atoms are presented.
Atomic oxygen influence on nanostructures
Einfluss von atomarem Sauerstoff auf Nanostrukturen
2012
4 Seiten, 10 Bilder, 14 Quellen
Aufsatz (Konferenz)
Datenträger
Englisch
Atomic Oxygen Influence on Nanostructures
British Library Conference Proceedings | 2013
|NTIS | 1989
|NTRS | 1989
|Atomic Oxygen Influence on Polymer Nanocomposites with Different Fillers
Online Contents | 2016
|Atomic Oxygen Influence on Polymer Nanocomposites with Different Fillers
Online Contents | 2016
|