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Coexistence pressure for a martensitic transformation from theory and experiment: Revisiting the bcc-hcp transition of iron under pressure

TitleCoexistence pressure for a martensitic transformation from theory and experiment: Revisiting the bcc-hcp transition of iron under pressure
Publication TypeJournal Article
Year of Publication2015
AuthorsZarkevich, NA, Johnson, DD
JournalPhysical Review B
Volume91
Pagination174104
Date Published05
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000354364300001
Keywords1st, ab-initio, approximation, augmented-wave method, calculations, centered-cubic iron, earths inner-core, equation-of-state, generalized-gradient, molecular-dynamics calculation, principles calculations, total-energy calculations, x-ray-diffraction
Abstract

hcp coexistence pressure of 8.4 GPa. We construct the equation of state for competing phases under hydrostatic pressure, compare to experiments and other calculations, and address the observed pressure hysteresis and range of onset pressures of the nucleating phase.

DOI10.1103/PhysRevB.91.174104
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