A hidden Markov model for describing turbostratic disorder applied to carbon blacks and graphene

被引:1
作者
Hart, Allen G. [1 ]
Hansen, Thomas C. [2 ]
Kuhs, Werner F. [3 ]
机构
[1] Univ Bath, Bath, Avon, England
[2] Inst Laue Langevin, Grenoble, France
[3] Univ Gottingen, GZG Abt Kristallog, Gottingen, Germany
来源
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2019年 / 75卷
关键词
turbostratic disorder; carbon blacks; hidden Markov model; scattering cross sections; X-RAY-DIFFRACTION; PATTERNS;
D O I
10.1107/S2053273319000615
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A mathematical framework is presented to represent turbostratic disorder in materials like carbon blacks, smectites and twisted n-layer graphene. In particular, the set of all possible disordered layers, including rotated, shifted and curved layers, forms a stochastic sequence governed by a hidden Markov model. The probability distribution over the set of layer types is treated as an element of a Hilbert space and, using the tools of Fourier analysis and functional analysis, expressions are developed for the scattering cross sections of a broad class of disordered materials.
引用
收藏
页码:501 / 516
页数:16
相关论文
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