Inferring Pattern and Disorder in Close-Packed Structures from X-ray Diffraction Studies, Part I: epsilon-Machine Spectral Reconstruction Theory

Details Inferring Pattern and Disorder in Close-Packed Structures from X-ray Diffraction Studies, Part I: epsilon-Machine Spectral Reconstruction Theory Inferring Pattern and Disorder in Close-Packed Structures from X-ray Diffraction Studies, Part I: epsilon-Machine Spectral Reconstruction Theory

2003-02-27

arxiv.org/abs/cond-mat/0302585v1

Physics

Condensed Matter

Materials Science

26 pages, 23 figures, 8 tables, 110 citations; http://www.santafe.edu/projects/CompMech/papers/ipdcpsi.html

Scientific paper

In a recent publication [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Phys. Rev. B {\bf 66}:17, 156 (2002)] we introduced a new technique for discovering and describing planar disorder in close-packed structures (CPSs) directly from their diffraction spectra. Here we provide the theoretical development behind those results, adapting computational mechanics to describe one-dimensional structure in materials. By way of contrast, we give a detailed analysis of the current alternative approach, the fault model (FM), and offer several criticisms. We then demonstrate that the computational mechanics description of the stacking sequence--in the form of an epsilon-machine--provides the minimal and unique description of the crystal, whether ordered, disordered, or some combination. We find that we can detect and describe any amount of disorder, as well as materials that are mixtures of various kinds of crystalline structure. Underlying this approach is a novel method for epsilon-machine reconstruction that uses correlation functions estimated from diffraction spectra, rather than sequences of microscopic configurations, as is typically used in other domains. The result is that the methods developed here can be adapted to a wide range of experimental systems in which spectroscopic data is available.

Affiliated with

Also associated with

No associations

Rating

Inferring Pattern and Disorder in Close-Packed Structures from X-ray Diffraction Studies, Part I: epsilon-Machine Spectral Reconstruction Theory does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Inferring Pattern and Disorder in Close-Packed Structures from X-ray Diffraction Studies, Part I: epsilon-Machine Spectral Reconstruction Theory, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Inferring Pattern and Disorder in Close-Packed Structures from X-ray Diffraction Studies, Part I: epsilon-Machine Spectral Reconstruction Theory will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-330764