Molecular dynamics simulation of phosphoric acid-based geopolymer
Kangqiao Huang, Wei Zhou, Haixiang Hu, Xinghong Liu, Xiaolin Chang, Qiao Wang, Hailin Yao, Yinping Li
Topics & Concepts
Molecular dynamicsMaterials scienceGeopolymerBulk modulusRadial distribution functionNanoindentationElastic modulusModulusForce field (fiction)Bond lengthAmorphous solidMolecular geometryComposite materialCrystallographyThermodynamicsComputational chemistryChemistryMoleculeCompressive strengthCrystal structureOrganic chemistryPhysicsQuantum mechanicsConcrete and Cement Materials ResearchClay minerals and soil interactionsGlass properties and applications