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Keywords:

  • X-ray diffraction;
  • diffuse scattering;
  • one-dimensional disorder;
  • planar faults;
  • computational mechanics

In previous publications [Varn et al. (2002). Phys. Rev. B, 66, 174110; Varn et al. (2007). Acta Cryst. B63, 169–182] we introduced and applied a new technique for discovering and describing planar disorder in close-packed structures directly from their diffraction patterns. Here, we provide the theoretical development behind those results, adapting computational mechanics to describe one-dimensional structure in materials. We show that the resulting statistical model of the stacking structure – called the ∍-machine – allows the calculation of measures of memory, structural complexity and configurational entropy. The methods developed here can be adapted to a wide range of experimental systems in which power spectra data are available.