Study of solid state reactions during mechanical alloying of Si–Fe system with first-principles calculationстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 20 мая 2017 г.
Аннотация:Former experiments showed that, at early stages, mechanical alloying of iron with silicon produces a disilicide a-FeSi2. First-principles calculations of isomer shift and quadrupole splitting (electric field gradient) at iron nuclei have been conducted for a-FeSi2 with account of different defects of lattice. The results obtained have been used for interpretation of a row of recent experiments on mechanical alloying of Si–Fe system. The results on the hyperfine interactions can be used in studying the solid state reactions that occur during mechanical alloying and further annealing, with the help of Mossbauer spectroscopy.