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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