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

2013/01/15 by V.S. Neverov, Voloshinov, Neverov, V. S. +5
Chemical Engineering · Chemistry · Materials Science · #Catalysis and Oxidation Reactions #Chemical Thermodynamics and Molecular Structure #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography

paper · pdf · doi:10.48550/arxiv.1301.3418

openalex publication_date 2013/01/15 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

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.

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