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Title: Variable step radial ordering in carbon onions
Authors: Siklitskaya, Alexandra
Yastrebov, Sergey
Smith, Roger
Keywords: Nanodiamonds
Carbon onions
Density functional theory
Molecular dynamics
X-ray diffraction
High resolution transmission electron microscopy
Issue Date: 2013
Publisher: © Elsevier B.V.
Citation: SIKLITSKAYA, A. YASTREBOV, S. and SMITH, R., 2013. Variable step radial ordering in carbon onions. Diamond and Related Materials, 32, pp. 32 - 35.
Abstract: 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.
Description: NOTICE: this is the author’s version of a work that was accepted for publication in Diamond and Related Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Diamond and Related Materials, Vol 32, February 2013, DOI: 10.1016/j.diamond.2012.11.012
Version: Accepted for publication
DOI: 10.1016/j.diamond.2012.11.012
URI: https://dspace.lboro.ac.uk/2134/16931
Publisher Link: http://dx.doi.org/10.1016/j.diamond.2012.11.012
ISSN: 0925-9635
Appears in Collections:Published Articles (Maths)

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