Sandro Jahn
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View article: Structural and thermodynamic properties of La3+ in chloride-bearing hydrothermal fluids - Insights from a new ab initio-based polarizable force field
Structural and thermodynamic properties of La3+ in chloride-bearing hydrothermal fluids - Insights from a new ab initio-based polarizable force field Open
Rare earth elements (REEs) are an important group of elements both geologically and economically. The ability of hydrothermal fluids to mobilize REEs in natural, ore-forming environments depends on the chemical composition and the presence…
View article: Association of avian biodiversity and West Nile Virus circulation in <i>Culex</i> mosquitoes in Emilia-Romagna, Italy
Association of avian biodiversity and West Nile Virus circulation in <i>Culex</i> mosquitoes in Emilia-Romagna, Italy Open
West Nile Virus (WNV) is a zoonotic arbovirus maintained in a transmission cycle between Culex mosquitoes and birds, occasionally spilling over into humans. The impact of avian biodiversity on WNV circulation remains debated, with studies …
View article: Structural and thermodynamic properties of La3+ in chloride-bearing hydrothermal fluids - Insights from a new ab initio-based polarizable force field
Structural and thermodynamic properties of La3+ in chloride-bearing hydrothermal fluids - Insights from a new ab initio-based polarizable force field Open
Rare earth elements (REEs) are an important group of elements both geologically and economically. The ability of hydrothermal fluids to mobilize REEs in natural, ore-forming environments depends on the chemical composition and the presence…
View article: Liquid Structure of Magnesium Aluminates
Liquid Structure of Magnesium Aluminates Open
Magnesium aluminates (MgO)x(Al2O3)1−x belong to a class of refractory materials with important applications in glass and glass–ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, du…
View article: Raman spectra of oxidized sulfur species in hydrothermal fluids
Raman spectra of oxidized sulfur species in hydrothermal fluids Open
Raman spectroscopic determination of sulfur species molalities in hydrothermal fluids requires correct assignment and knowledge of the scattering efficiencies of Raman bands. Therefore, we studied the Raman spectra of NaHSO4 and H2SO4 solu…
View article: The high flux nano-X-ray diffraction, fluorescence and imaging beamline ID27 for science under extreme conditions on the ESRF Extremely Brilliant Source
The high flux nano-X-ray diffraction, fluorescence and imaging beamline ID27 for science under extreme conditions on the ESRF Extremely Brilliant Source Open
In this overview article, we present the main features of the upgraded ID27 beamline which is fully optimised to match the exceptional characteristics of the new Extremely Bright Source (EBS) of the European Synchrotron Radiation Facility …
View article: Exploring boron isotope fractionation during interaction of silicate melts and hydrous fluids: an experimental approach concerning ore formation
Exploring boron isotope fractionation during interaction of silicate melts and hydrous fluids: an experimental approach concerning ore formation Open
The magmatic-hydrothermal transition is an important but poorly-understood process in the formation of Sn-W, Nb-Ta and Li deposits associated with evolved granites and pegmatites. Theory predicts that boron isotopes will fractionate betwee…
View article: Speciation and dynamical properties of hydrous MgCO3 melt studied by ab-initio molecular dynamics
Speciation and dynamical properties of hydrous MgCO3 melt studied by ab-initio molecular dynamics Open
Understanding the effects of water on the geochemical behavior of carbonate melts in the Earth's interior requires thorough knowledge of their speciation and dynamical properties. However, the mechanisms of water dissolution in carbonate m…
View article: Iron coordination in liquid FeAl <sub>2</sub> O <sub>4</sub>
Iron coordination in liquid FeAl <sub>2</sub> O <sub>4</sub> Open
The structure of aerodynamically levitated liquid was measured by neutron diffraction with isotope substitution (NDIS). Classical and ab initio molecular dynamics simulations were performed and their results were found to be in …
View article: High-pressure polymorphs of ferroan dolomite: Possible host structures for carbon in the lower mantle
High-pressure polymorphs of ferroan dolomite: Possible host structures for carbon in the lower mantle Open
In this study, we investigated four different ferroan dolomite samples using in situ Raman spectroscopy and powder X-ray diffraction (XRD) at pressures up to 48 GPa and room temperature. Our results show that the transition from Dolomite-I…
View article: Hydration in aqueous NaCl
Hydration in aqueous NaCl Open
Atomistic details about the hydration of Na + - and Cl − -ions in aqueous solutions are studied by a combination of X-ray spectroscopy and spectrum calculation based on molecular dynamics simulations.
View article: Structure of levitated Si–Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations
Structure of levitated Si–Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations Open
The short-range order in liquid Si, Ge and binary Si x –Ge 1− x alloys ( x = 0.25, 0.50, 0.75) was studied by x-ray diffraction and reverse Monte Carlo simulations. Experiments were performed in the normal and supercooled liquid states by …
View article: Properties of irradiated sodium borosilicate glasses from experiment and atomistic simulations
Properties of irradiated sodium borosilicate glasses from experiment and atomistic simulations Open
With a combination of atomistic modeling and experimental techniques, we have investigated the structural and elastic parameters of sodium borosilicate glasses, including irradiation‐induced changes. Both approaches show that the Young's m…
View article: Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water
Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water Open
Investigation of the microscopic structure of water in hydrothermal aqueous sodium chloride solution using a combined experimental and theoretical approach.
View article: Yttrium speciation in subduction-zone fluids from ab initio molecular dynamics simulations
Yttrium speciation in subduction-zone fluids from ab initio molecular dynamics simulations Open
The rare Earth elements (REEs) are important geochemical tracers for geological processes such as high-grade metamorphism. Aqueous fluids are considered important carriers for the REEs in a variety of geological environments including sett…