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JOURNALS // Uspekhi Khimii // Archive

Usp. Khim., 2009 Volume 78, Issue 6, Pages 615–634 (Mi rcr174)

This article is cited in 15 papers

Prediction of intermetallic compounds

G. S. Burkhanov, N. N. Kiselyova

Baikov Institute of Metallurgy and Materials Science, Russian Academy of Sciences

Abstract: The problems of predicting intermetallic compounds not yet synthesized are discussed. It is noted that the use of classical physicochemical analysis in the study of multicomponent metallic systems is associated with the complexity of presenting multidimensional phase diagrams. The use of modern information technology with application of computer pattern recognition method is a route to the prediction new intermetallics with specified properties. The algorithms used most often in these methods are briefly considered and the efficiency of their use for predicting new compounds is demonstrated.

Received: 02.02.2009

DOI: 10.1070/RC2009v078n06ABEH004035


 English version:
Russian Chemical Reviews, 2009, 78:6, 569–587

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© Steklov Math. Inst. of RAS, 2024