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Atomic interactions and hydrogen‐induced γ* phase in fcc iron–nickel alloys
Author(s) -
Movchan D. N.,
Shyvanyuk V. N.,
Shanina B. D.,
Gavriljuk V. G.
Publication year - 2010
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200925548
Subject(s) - nickel , spinodal decomposition , hydrogen , materials science , metal , phase (matter) , diffraction , ab initio , solid solution , crystallography , ab initio quantum chemistry methods , decomposition , inorganic chemistry , chemistry , metallurgy , molecule , physics , organic chemistry , optics
Energy of metal–metal (Me–Me) and metal–hydrogen (Me–H) bonds in hydrogen‐free and hydrogen‐charged fcc iron, nickel, and iron–nickel alloys are ab initio calculated. It is shown that short‐range decomposition of Fe–Ni solid solution and difference in Fe–H and Ni–H bonds are responsible for splitting of γ reflections in the X‐ray diffraction patterns, which is at variance with the common interpretation in terms of a hydrogen‐caused γ* phase. X‐ray diffraction measurements confirm the absence of miscibility gap in the FeNi–H solid solution and its occurrence in Ni–H. Results of calculations are consistent with the absence of H–H pairs in pure nickel.