Minerals, Volume 12, Issue 5
2022 May - 163 articles
Cover Story: Magnetite (Fe2+Fe3+2O4) crystal cells contain Fe atoms in tetrahedral and octahedral sites and crystallize in the spinel structure with a face-centered cubic cell. Under geological conditions, the structure is modified by natural defects formed during crystallization, and those produced during the alpha decay of U, Th, and Sm isotopes present naturally. The produced radiogenic 4He atoms are incorporated into different atomic interstitial sites and defect sites and diffuse by hopping between those sites depending on the temperature. To quantify the natural and radiation defect on He diffusion, a theoretical investigation of energy mapping along the diffusion paths has been conducted using the energy density functional theory, which allows calculating the migration energy as shown in the figure. View this paper
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Minerals - ISSN 2075-163X