T4-S1. Relationships between structural, chemical, vibrational and thermodynamic properties in minerals and melts

Merlin Méheut (merlin.meheut@get.omp.eu)
Charles Arthur Geiger (ca.geiger@sbg.ac.at)

The thermodynamic behavior of minerals and melts controls many geological processes. Phase diagrams, solid-solution models, the nature of elemental and isotopic fractionation as well as diffusion and elastic properties permit metamorphic and magmatic processes and deep Earth conditions to be understood. These various fields have been studied by experiment and theoretical modeling. Recent developments in computational and experimental methods have led to new avenues of research. However, a major challenge arises from the great diversity in the compositions and structures of minerals and melts, especially over different P-T conditions. Thermodynamic properties are determined by chemical bonding and, thus, the compositions, structures and vibrational properties of crystals and melts require detailed study. This session welcomes contributions from experimental and theoretical studies that relate macroscopic properties to chemical, microscopic structural and atomistic dynamic behavior.