Title :
A General Enumeration Method for Models of Crystal Structures
Author :
Klein, Hans Joachim
Author_Institution :
Inst. fur Inf., Christian-Albrechts-Univ., Kiel, Germany
Abstract :
A graph-based method is described allowing to generate models of crystal structures for a given set of parameters. It uses symmetry-labeled periodic graphs and is complete insofar as all possible topologies are enumerated. Parameters and information on symmetries are taken into account as early as possible in order to reduce the number of graphs in intermediate results significantly.
Keywords :
crystal structure; graph theory; crystal structures model; general enumeration method; graph based method; symmetry labeled periodic graph; Anisotropic magnetoresistance; Buildings; Computer applications; Crystallography; Filling; Periodic structures; Proposals; Topology; Vectors; crystal structures; enumeration method; symmetry-labeled graphs; topological view;
Conference_Titel :
Advanced Engineering Computing and Applications in Sciences, 2009. ADVCOMP '09. Third International Conference on
Conference_Location :
Sliema
Print_ISBN :
978-1-4244-5082-4
Electronic_ISBN :
978-0-7695-3829-7
DOI :
10.1109/ADVCOMP.2009.13
