Inferring planar disorder in close-packed structures via ε-machine spectral reconstruction theory: Structure and intrinsic computation in zinc sulphide

Dowman P. Varn
Max-Planck-Institut für Physik komplexer Systeme
Santa Fe Institute
Department of Physics and Astromony, University of Tennessee, Knoxville

Geoffrey S. Canright
Telenor Research and Development
Department of Physics and Astronomy, University of Tennessee, Knoxville

James P. Crutchfield
Computational Science & Engineering Center & Physics Department, University of California, Davis
Santa Fe Institute



Abstract:

We apply e-machine spectral reconstruction theory to analyze structure and disorder in four previously published zinc sulphide diffraction spectra and contrast the results with the most common alternative theory, the fault model. In each case we find that the reconstructed ε-machine provides a more comprehensive and detailed understanding of the stacking structure, often detecting stacking structures not previously found. Using the ε-machines reconstructed for each spectrum, we calculate a number of physical parameters---such as configurational energies, configurational entropies, and hexagonality---and several quantities---including statistical complexity and excess entropy---that describe the intrinsic computational properties of the stacking structures.

A copy of this paper in pdf format: Inferring planar disorder in close-packed structures via ε-machine spectral reconstruction theory: Structure and intrinsic computation in zinc sulphide

Publisher's web site: Acta Crystallographica Section B: Structural Science

Citation: D.P. Varn, G. S. Canright and J.P. Crutchfield, Acta Crystallogr., Sec B: 63 (2007) 169-182.

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Last updated: 26 April 2009. Copyright © 2008-2010 by Dowman P. Varn. Contact: dpv@ComplexMatter.org

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