The Effects of FeO and Fe2O3 on the Structure and Properties of Aluminosilicate System: A Molecular Dynamics Study
Shufang Ma, Shan Ren, Kejiang Li, Jianliang Zhang, Chunhe Jiang, Zhisheng Bi, Minmin Sun
Topics & Concepts
Natural bond orbitalAluminosilicateValence (chemistry)IonMolecular dynamicsOxygenCoordination numberChemistryOxideCrystallographyMaterials scienceInorganic chemistryDensity functional theoryComputational chemistryCatalysisOrganic chemistryMetallurgical Processes and ThermodynamicsNuclear materials and radiation effectsMetal Extraction and Bioleaching