Extraction of Crystal Structures Based on Euclidean Voronoi Diagram and Angle Distributions among Atoms

Deok Soo Kim; Yong Chae Chung; Sang Won Seo; Sang Pil Kim; Chong Min Kim

doi:10.4028/www.scientific.net/KEM.317-318.881

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HomeKey Engineering MaterialsKey Engineering Materials Vols. 317-318Extraction of Crystal Structures Based on...

Extraction of Crystal Structures Based on Euclidean Voronoi Diagram and Angle Distributions among Atoms

Abstract:

The structural configurations of atom constituting materials are one of the fundamental factors in the study of physical properties of materials. Presented in this paper is a mathematical and computational methodology to efficiently classify a given atomic structure of an arbitrary material into groups of atoms in BCC, FCC, and HCP crystal structures. The approach is based on the angle distributions among neighboring atoms efficiently identified by a computational geometry technique called Voronoi diagram. In this paper, the presented mathematical theory was applied to analyze a multi-layer atomic structure in a geometric perspective so that a best condition for thin film growth can be found.

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Periodical:

Key Engineering Materials (Volumes 317-318)

Pages:

881-884

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.317-318.881

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Online since:

August 2006

Authors:

Deok Soo Kim, Yong Chae Chung, Sang Won Seo, Sang Pil Kim, Chong Min Kim

Keywords:

Angle Distribution, Crystal Structure, Molecular Dynamic (MD), Voronoi Diagram

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References

[1] J. Schiłtz, F.D. Tolla, and K.W. Jacobsen: Nature 391 (1998), pp.561-563.

Google Scholar

[2] H.K. Ahn: Korean J. Mater. Res. 8 (1998), pp.565-572.

Google Scholar

[3] A. Latapie and D. Farkas: Modelling Simul. Mater. Sci. Eng. 11 (2003), p.745.

Google Scholar

[4] D. Farkas, H. Van Swygenhoven, and P.M. Derlet: Phys. Rev. B 66 (2002), p.060101.

Google Scholar

[5] P.M. Derlet and H. Van Swygenhoven: Phys. Rev. B 67 (2003), p.014202.

Google Scholar

[6] D. -S. Kim, D. Kim, and K. Sugihara: Computer Aided Geometric Design 18.

Google Scholar

[6] (2001), pp.563-585.

Google Scholar

[7] D. -S. Kim, Y. Cho, and D. Kim: in Proceedings of the 16th Canadian Conference on Computational Geometry (2004), pp.176-179.

Google Scholar

[8] D. -S. Kim, Y. -C. Chung, S. Seo, S. -P. Kim, and C. -M. Kim: Journal of Ceramic Processing Research 6.

Google Scholar

[1] (2004), pp.63-67.

Google Scholar

[9] D. -S. Kim, Y. -C. Chung, S. Seo, S. -P. Kim, and C. -M. Kim: Journal of Ceramic Processing Research 6.

Google Scholar

[1] (2004), pp.68-72.

Google Scholar

[10] A. Okabe, B. Boots, K. Sugihara, and S. -N. Chiu: in Spatial Tessellations: Concepts and Applications of Voronoi Diagrams, 2nd ed. (John Wiley and Sons, 2000), pp.43-106.

DOI: 10.1002/bimj.4710360203

Google Scholar

[11] A.V. Anikeenko, M.G. Alinchenko, V.P. Voloshin, N.N. Medvedev, M.L. Gavrilova, and P. Jedlovszky: LNCS 3045 (2004), pp.217-226. This article was processed using the LATEX macro package with TTP style.

Google Scholar