Naslov
Space fullerenes: Computer search for Frank-Kasper structure

Autori
Deza, Michel ; Dutour Sikirić, Mathieu ; Delgado- Friedrichs, Olaf

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, pp prezentacija, znanstveni

Izvornik
ISM Symposium, Stochastic models and discrete geometry, The institute of statistical mathematics / - , 2010

Skup
ISM Symposium, Stochastic models and discrete geometry, The institute of statistical mathematics

Mjesto i datum
Tokyo, Japan, 01.03.2010. - 02.03.2010

Vrsta sudjelovanja
Plenarno

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Delaney symbol; crystallography; enumeration; fullerene

Sažetak
A fullerene is a 3-valent plane graphs whose faces are pentagons and hexagons. A fullerene is said to be IHR if its hexagons are adjacent, i.e. are adjacent only to pentagons. A space fullerene is a 4-valent tiling of the space by IHR fullerenes. Space fullerenes are interesting in crystallography and in Discrete geometry. There are exactly 4 IHR fullerenes of symmetry Ih, D6d, Td and D3h. We enumerates the space fullerenes with a small fundamental domain under their translation groups. The technique is decomposed into two steps: The use of Delaney symbols, i.e. flag systems, as the basic model for storing combinatorial informations and the use of the softwares 3dt and Systre by Olaf Delgado for transforming combinatorial description into topological and metric ones. The design of programs for enumerating space fullerenes, using all the tricks in the books of combinatorial enumeration in order to achive the highest speed possible.

Izvorni jezik
Engleski

Znanstvena područja
Računarstvo

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