Iron isotope systematics
Iron Isotope Systematics | Reviews in Mineralogy and Geochemistry | GeoScienceWorld
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Equilibrium fractionation of non-traditional isotopes: a molecular modeling perspective
M Blanchard, E Balan… - Reviews in Mineralogy …, 2017 - pubs.geoscienceworld.org
The isotopic compositions of natural materials are determined by their parent reservoirs, on
the one hand, and by fractionation mechanisms, on the other hand. Under the right …
the one hand, and by fractionation mechanisms, on the other hand. Under the right …
Advanced capabilities for materials modelling with Quantum ESPRESSO
Q uantum ESPRESSO is an integrated suite of open-source computer codes for quantum
simulations of materials using state-of-the-art electronic-structure techniques, based on …
simulations of materials using state-of-the-art electronic-structure techniques, based on …
Iron, magnesium, and titanium isotopic fractionations between garnet, ilmenite, fayalite, biotite, and tourmaline: Results from NRIXS, ab initio, and study of mineral …
Interpreting isotopic signatures documented in natural rocks requires knowledge of
equilibrium isotopic fractionation factors. Here, we determine equilibrium Fe isotope …
equilibrium isotopic fractionation factors. Here, we determine equilibrium Fe isotope …
Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials
We present in full detail a newly developed formalism enabling density functional
perturbation theory (DFPT) calculations from a DFT+ U ground state. The implementation …
perturbation theory (DFPT) calculations from a DFT+ U ground state. The implementation …
Evidence from Ab Initio and Transport Modeling for Diffusion-Driven Zirconium Isotopic Fractionation in Igneous Rocks
We use density functional theory to calculate the equilibrium isotopic fractionation factors of
zirconium (Zr) in a variety of minerals including zircon, baddeleyite, Ca-catapleiite, ilmenite …
zirconium (Zr) in a variety of minerals including zircon, baddeleyite, Ca-catapleiite, ilmenite …
[HTML][HTML] Metal stable isotopes fractionation during adsorption
Z Li, Y Huang, L Jiang, H Tang, G Jiao, H Gou… - Ecotoxicology and …, 2024 - Elsevier
Isotope technology is an ideal tool for tracing the sources of certain pollutants or providing
insights into environmental processes. In recent years, the advent of multi-collector …
insights into environmental processes. In recent years, the advent of multi-collector …
Iron and oxygen isotope fractionation during iron UV photo-oxidation: Implications for early Earth and Mars
Banded iron formations (BIFs) contain appreciable amounts of ferric iron (Fe 3+). The
mechanism by which ferrous iron (Fe 2+) was oxidized into Fe 3+ in an atmosphere that was …
mechanism by which ferrous iron (Fe 2+) was oxidized into Fe 3+ in an atmosphere that was …
Iron isotopic fractionation between silicate mantle and metallic core at high pressure
Abstract The+ 0.1‰ elevated 56Fe/54Fe ratio of terrestrial basalts relative to chondrites was
proposed to be a fingerprint of core-mantle segregation. However, the extent of iron isotopic …
proposed to be a fingerprint of core-mantle segregation. However, the extent of iron isotopic …
Theoretical calculation of equilibrium Mg isotope fractionations between minerals and aqueous solutions
There are large discrepancies existing in equilibrium Mg isotope fractionation calculations
and experimental investigations for cases related to mineral vs. solution. To clarify this …
and experimental investigations for cases related to mineral vs. solution. To clarify this …