Crystal lattice identification on the basis of assessing unit cell parameters

Abstract

The paper is devoted to the problem of crystal lattice identification in three- dimensional space. Two identification methods based on assessing the parameters of unit cells have been developed to solve this problem. The first method is based on the calculation and comparison of the six basic cell parameters: the three lengths of the cell sides and the three magnitudes of angles between the sides. The second method is based on the calculation and comparison of Wigner-Seitz cell volumes using the Monte-Carlo method. Both methods include normalized similarity measures for the parameters calculated: the edge similarity and the angle similarity measure for Bravais unit cells and the volume similarity measure for Wigner-Seitz cells. A number of computational experiments for crystal lattice identification were carried out using these methods. In the course of the experiments, first, the dependence of the accuracy of defining the volume of a Wigner-Seitz cell on the number of the points included and, second, the probability of accurate Bravais lattice identification when comparing different sets of the parameters assessed have been specified. As a result of the experiments carried out, the accuracy of identification for four systems of Bravais lattices exceeded 95 per cent.

About the authors

D. V. Kirsh

Samara State Aerospace University

Author for correspondence.
Email: limitk@mail.ru

Student in the Master’s programme

Russian Federation

References

  1. Kupriyanov A.V. Texture analysis and identification of the crystal lattice type on nanoscale images // Computer Optics. 2011. V. 35, no.2. P. 151-157. (In Russ.)
  2. Tilley R.J.D. Crystals and crystal structures. Chichester: John Wiley & Sons Ltd, 2006. P. 17-32.
  3. Kupriyanov A.V. Estimating the similarity measure of crystal lattices by coordinates of their nodes in three dimensional space // Computer Optics. 2012. V. 36, no.4. P. 590-595. (In Russ.)

Statistics

Views

Abstract: 2755

PDF (Russian): 1920

Dimensions

PlumX

Refbacks

  • There are currently no refbacks.

Copyright (c) 2015 VESTNIK of the Samara State Aerospace University

This website uses cookies

You consent to our cookies if you continue to use our website.

About Cookies