A new program for radical tessellation construction and analysis

• Autorzy: Laskowski R.
• Języki publikacji: EN

Abstrakty

EN

The purpose of the work is to describe use of the computer program SIMPL designed for construction and analysis of radical tessellations of any computer simulated sample. The radical polyhedra (RP) Gellatly and Finney, J. Non-Cryst. Solids, vol. 50, p. 313 (1982) can be considered as a generalization of the Voronoi polyhedra more widely used in literature. An RP is a minimal polyhedron whose faces are sets of such points that distances from the points to tangent points of two neighboring atomic spheres are equal. The tessellation technique is a very effective tool for structural analysis of computer simulated samples, giving a great amount of easily accessible information. SIMPL allows to construct an RP network for a defined system and analyze the shape, composition and mutual geometrical relation of radical polyhedra and radical simplices. Implemented capabilities give, for example, the possibility of recognizing an atomic environments' shape and investigating the non-local order in computer simulated materials. The pattern recognition technique Laskowski R. et al., TASK Quart., vol. 1, p. 96 (1997) is based on analysis of the shape of the radical polyhedra, and contraction of short edges and small faces of the polyhedra. Non-local order analysis involves geometric relations between tessellation simplices.

Słowa kluczowe

EN

radical tessellation; stochastic geomerty; structure recognition; computer modelling

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2000
• Tom: Vol. 4, No 4
• Strony: 531--553
• Opis fizyczny: Bibliogr. 18 poz., rys.

Twórcy

autor

Laskowski R.

• Department of Solid State Physics, Faculty of Technical Physics and Applied Mathematics, Technical University of Gdańsk, Narutowicza 11/12, 80-952 Gdańsk, Poland

Bibliografia

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