Coordination of Zr4+/Hf4+/Nb5+/Ta5+ in silicate melts: insight from first principles molecular dynamics simulations
Tianhua Wang, Xiandong Liu, Yicheng Sun, Xiancai Lu, Rucheng Wang
Topics & Concepts
SilicateFluorineMolecular dynamicsMaterials scienceAnhydrousMineralogyChemistryMetallurgyComputational chemistryOrganic chemistryGeological and Geochemical AnalysisHigh-pressure geophysics and materialsGeochemistry and Elemental Analysis