Variable step radial ordering in carbon onions
| Autor: | Alexandra Siklitskaya, Sergey Yastrebov, Roger Smith |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Mechanical Engineering
chemistry.chemical_element Computer Science::Social and Information Networks General Chemistry Radius Curvature Molecular physics Electronic Optical and Magnetic Materials Crystallography Molecular dynamics chemistry Transmission electron microscopy X-ray crystallography Materials Chemistry Density functional theory Electrical and Electronic Engineering High-resolution transmission electron microscopy Carbon |
| Zdroj: | Diamond and Related Materials. 32:32-35 |
| ISSN: | 0925-9635 |
| DOI: | 10.1016/j.diamond.2012.11.012 |
| Popis: | We analyse the radial distribution of atoms in carbon onions optimised using a combination of classical molecular dynamics and density functional theory. X-ray diffractograms of thermally annealed nanodiamonds are also exploited together with high-resolution transmission electron microscopy data published elsewhere. The internal radial ordering of atoms inside the onions was determined showing a gradual change of intershell separation as a function of radius. This change may result in a twisted internal structure of the onions. The influence of atomic defects appearing in the shells altering their curvature on the formation of twisted onions is discussed. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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