Classical mechanical simulations of layer- and tunnel-structured manganese oxide minerals
Aric G. Newton, Kideok D. Kwon
Topics & Concepts
OxideInteratomic potentialManganeseOctahedronMolecular dynamicsVacancy defectChemical physicsDensity functional theoryAtomic unitsManganese oxideMaterials scienceChemistryCrystal structureComputational chemistryCrystallographyPhysicsMetallurgyQuantum mechanicsGeochemistry and Elemental AnalysisGeological and Geochemical AnalysisIron oxide chemistry and applications