Statistical theory of forming structural vacancies in palladium hydride |
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| Authors: | S. Yu. Zaginaichenko Z. A. Matysina D. V. Shchur |
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| Affiliation: | 1.Institute for Problems in Materials Science of the National Academy of Sciences of Ukraine,Kiev,Ukraine;2.Oles’ Gonchar Dnepropetrovsk National University,Dnepropetrovsk,Ukraine |
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| Abstract: | Based on molecular-kinetic representations, the theory of forming structural vacancies and vacant-ordered superstructure of Cu3Au type in palladium hydride is developed. Free energies of PdH and Pd3VH4 phases are calculated. The constitution diagram is constructed that determines ranges of temperature and concentration in which phases with A1 and L12 structures are formed and regions of two A1 + L12 phases are realized. Results of theoretical calculations are in agreement with the available experimental data. |
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