Title :
Prediction of acentric crystal structure of complex crystals by neural net analysis
Author :
Korotkov, Anton S. ; Atuchin, Victor V.
Author_Institution :
Lab. of Opt. Mater. & Struct., SB RAS, Novosibirsk, Russia
Abstract :
Neural net analysis is tested as a tool for prediction of acentricity of crystal structure. A set of input parameters is defined that gives the prediction with as high probability as ~80%. The neural net is used for prediction of new binary acentric molybdates.
Keywords :
caesium compounds; crystal structure; materials science computing; neural nets; nonlinear optics; optical materials; zinc compounds; Cs6Zn5Mo8O32; binary acentric molybdates; crystal structure; neural net analysis; nonlinear optical materials; Chemical elements; Crystalline materials; Crystals; Education; Electrons; Frequency conversion; Lattices; Neural networks; Nonlinear optics; Oxidation; Neural net; acentric structure; complex molybdate;
Conference_Titel :
Micro/Nanotechnologies and Electron Devices, 2009. EDM 2009. International Conference and Seminar on
Conference_Location :
Novosibirsk
Print_ISBN :
978-1-4244-4571-4
DOI :
10.1109/EDM.2009.5173916
