Structural, redox and isotopic behaviors of iron in geological silicate glasses: A NRIXS study of Lamb-Mössbauer factors and force constants
We report a combined conventional Mössbauer and synchrotron Nuclear Resonant Inelastic
X-ray Scattering (NRIXS) study of a series of basalt, andesite, dacite, and rhyolite glasses at …
X-ray Scattering (NRIXS) study of a series of basalt, andesite, dacite, and rhyolite glasses at …
Equilibrium indium isotope fractionation between indium-bearing minerals: Insights from first-principles calculations
H Duan, F Huang - Geochimica et Cosmochimica Acta, 2024 - Elsevier
Indium (In) is a critical element for electronics and catalysis industries and a volatile metal
during planet accretion. Indium isotopes can be used to study cosmochemical and …
during planet accretion. Indium isotopes can be used to study cosmochemical and …
Iron and silicon isotope fractionation in silicate melts using first-principles molecular dynamics
S Rabin, M Blanchard, C Pinilla, F Poitrasson… - … et Cosmochimica Acta, 2023 - Elsevier
The direct determination of silicate melts iron and silicon isotopes signature remains a major
challenge of high-temperature isotope geochemistry. For this reason, melts are often …
challenge of high-temperature isotope geochemistry. For this reason, melts are often …
Site-specific isotope effect: Insights from equilibrium magnesium isotope fractionation in mantle minerals
H Duan, B Yang, F Huang - Geochimica et Cosmochimica Acta, 2023 - Elsevier
The equilibrium Mg isotope fractionation factors (lnα) derived from both theoretical
calculation and experimental studies are not consistent with the values from natural sample …
calculation and experimental studies are not consistent with the values from natural sample …
Iron isotope fractionation between metal and silicate during core-mantle differentiation in rocky bodies
Fe isotope variations in rocky bodies reveal fundamental information about planetary
evolution. However, experimental results have come to contradictory conclusions on the …
evolution. However, experimental results have come to contradictory conclusions on the …
Heavy magnesium isotopic signatures in arc lavas may be attributed to dehydration of subducting hydrated mantle
Fluids released from subducting slabs profoundly affect mantle composition, rock melting
points, and arc magma generation. However, identifying fluid sources (sediments, crust, or …
points, and arc magma generation. However, identifying fluid sources (sediments, crust, or …
[HTML][HTML] Direct prediction of isotopic properties from molecular dynamics trajectories: Application to sulfide, sulfate and sulfur radical ions in hydrothermal fluids
In hydrothermal fluids, disulfur (S 2•-) and trisulfur (S 3•-) radical anions have been observed
to coexist with the major hydrogen sulfide and sulfate species. These radical ions have …
to coexist with the major hydrogen sulfide and sulfate species. These radical ions have …
Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in …
Evaluation of thermochemistry in solution plays a key role in numerous fields. For this task,
the solvent effects are commonly included in theoretical computations based on either …
the solvent effects are commonly included in theoretical computations based on either …
Fe isotope fractionation caused by phase transition of FeS and implications for Fe isotope signatures of the mantle and core
S Liu, Y Li, Z Yang, J Liu - Geochimica et Cosmochimica Acta, 2023 - Elsevier
Iron is the most important component of the cores of terrestrial planets, and iron sulfide (FeS)
is one of the preferred candidates present in these cores. FeS is also ubiquitous in Earth's …
is one of the preferred candidates present in these cores. FeS is also ubiquitous in Earth's …
Ab initio study of structural, elastic and thermodynamic properties of Fe3S at high pressure: Implications for planetary cores
Using density functional theory electronic structure calculations, the equation of state,
thermodynamic and elastic properties, and sound wave velocities of Fe3S at pressures up to …
thermodynamic and elastic properties, and sound wave velocities of Fe3S at pressures up to …