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Welcome to the Homepage of the DFG-funded Emmy-Noether Research Group:
Melts and Fluids in Geomaterials: From First-Principles to geological processes
News and research highlights:
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04/2013: Johannes Wagner joins our group as a PhD student funded by the
Helmholtz-Kolleg (Graduate School)
'GEOSIM: Explorative Simulation in Earth Sciences' - Welcome ! Next and last call for this school will
end in October 2013 (contact: jahn@gfz-potsdam.de)
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We co-organize Sessions 08f 'Computational Modelling of Melts and Glasses'
and 21e 'Quantification and Mechanisms of Stable Isotope Fractionation - New Insights from Theory and Experiments'
at the Goldschmidt Conference 2013, Florence, Italy
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The atomic structure and dynamics of water at high pressures and temperatures was probed by x-ray Raman scattering
and molecular modeling. According to the theoretical model, the microscopic structure of water remains spatially
homogeneous throughout the range of examined temperatures and pressures
(Sahle et al., PNAS, 2013,
Commentary by Galli and Pan,
ESRF News)
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01/2013: Volker Haigis successfully defended his PhD thesis entitled 'Trace elements in silicate melts and the
thermal conductivity of the Earth's deep mantle: insights from atomistic modeling of geomaterials' - Congratulations!
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An improved and efficient method to predict equilibrium isotope fractionation between minerals, fluids and melts
from first-principles calculations is presented
in Kowalski et al., Geochim. Cosmochim. Acta (2013)
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The structural difference between a glass and a liquid of CaAl2O4 composition was revealed by a combination
of molecular modeling and experiments using aerodynamic-levitation with laser-heating and neutron diffraction with
isotope substitution
(Drewitt et al., Phys. Rev. Lett., 2012,
University of Edinburgh News)
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We have developed a thermal conductivity model for the Earth's lower mantle from classical
molecular dynamics simulations and estimate the heat flux at the core-mantle boundary
(Haigis et al., Earth Planet. Sci. Lett., 2012)
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