基于X射线和中子衍射联合数据分析的无定形碳纳米材料结构识别算法
Algorithm of Amorphous Carbonaceous Nanomaterial Structure Identification with a Joint X-Ray and Neutron Diffraction Data Analysis
摘要：
开发了一种用于无定形碳纳米材料的结构识别的算法，该算法具有联合X射线和中子衍射数据分析，使用来自其他诊断的样品的化学组成的数据。该算法是以前开发的用于类似纳米材料的X射线衍射诊断的算法的扩展（[1] Chem.Phys.Lett.，506，265-268（2011））。该算法是测试的例子处理的计算数据的样本，其中模型的碳氢化合物薄膜的片段在[1]中分析。该算法是感兴趣的碳和氢的原子分数可比的材料的结构诊断。
英文摘要：
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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