Algorithm of Amorphous Carbonaceous Nanomaterial Structure Identification with a Joint X-Ray and Neutron Diffraction Data Analysis

V. S. Neverov; V. V. Voloshinov; A. B. Kukushkin; A. S. Tarasov

Algorithm of Amorphous Carbonaceous Nanomaterial Structure Identification with a Joint X-Ray and Neutron Diffraction Data Analysis

Materials Science 2013-01-16 v1 Computational Physics

Authors: V. S. Neverov , V. V. Voloshinov , A. B. Kukushkin , A. S. Tarasov

Abstract

An algorithm is developed for structure identification of amorphous carbonaceous nanomaterials with a joint x-ray and neutron diffraction data analysis, using the data on the chemical composition of the sample from other diagnostics. The algorithm is an extension of one formerly developed for the x-ray diffraction diagnostics of similar nanomaterials ([1] Chem. Phys. Lett., 506, 265-268 (2011)). The algorithm is tested on the example of processing the computed data for a sample which models a fragment of hydrocarbon films analyzed in [1]. The algorithm is of interest for structure diagnostics of materials with comparable atomic fractions of carbon and hydrogen.

Keywords

crystal structure prediction x-ray imaging and diffraction nanoparticles

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@article{arxiv.1301.3418,
  title  = {Algorithm of Amorphous Carbonaceous Nanomaterial Structure Identification with a Joint X-Ray and Neutron Diffraction Data Analysis},
  author = {V. S. Neverov and V. V. Voloshinov and A. B. Kukushkin and A. S. Tarasov},
  journal= {arXiv preprint arXiv:1301.3418},
  year   = {2013}
}

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9 pages, 3 figures, 1 table

Algorithm of Amorphous Carbonaceous Nanomaterial Structure Identification with a Joint X-Ray and Neutron Diffraction Data Analysis

Abstract

Keywords

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