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National Repository of Grey Literature 2 records found  Search took 0.00 seconds. 
Data mining analysis of chemical bonds in alloys
 Nechutová, Vendula ; Šeda, Miloš (referee) ; Roupec, Jan (advisor)
The thesis deals with aplication of data mining methods for the analysis of two Ni3Si supercells, one with a stable grain boundary and the second one with unstable grain boundary. DOS and COHP curves are examined using selected curve matching methods. The surroundings of the individual atoms are examined by the Voronoi diagram. This information was used to reveal the differences in binding between stable and unstable supercell.
Detailed record
Data mining analysis of chemical bonds in alloys
 Nechutová, Vendula ; Šeda, Miloš (referee) ; Roupec, Jan (advisor)
The thesis deals with aplication of data mining methods for the analysis of two Ni3Si supercells, one with a stable grain boundary and the second one with unstable grain boundary. DOS and COHP curves are examined using selected curve matching methods. The surroundings of the individual atoms are examined by the Voronoi diagram. This information was used to reveal the differences in binding between stable and unstable supercell.
Detailed record

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