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Inferring Planar Disorder in Close-packed Structures via ∊-Machine Spectral Reconstruction Theory: Structure and Intrinsic Computation in Zinc Sulfide by D. P. Varn; G. S. Canright; J. P. Crutchfield is a Chemistry article available to read on EtoBox.

What is Inferring Planar Disorder in Close-packed Structures via ∊-Machine Spectral Reconstruction Theory: Structure and Intrinsic Computation in Zinc Sulfide about?

We apply ∊-machine spectral reconstruction theory to analyze structure and disorder in four previously published zinc sulfide diffraction spectra and contrast the results with the most common alternative theory, the __fault model__. In each case we find that the reconstructed ∊-machine provides a more comprehensive and detailed understanding of the stacking structure, often detecting stacking structures not previously found. Using the ∊-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.

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Author

D. P. Varn; G. S. Canright; J. P. Crutchfield

Publisher

International Union of Crystallography; Blackwell Publishing Inc.; International Union of Crystallography (IUCr) (ISSN 0108-7681)

Published

2007

Language

EN

Field

Chemistry (Physical Sciences)