Effects of Si/Al ratio on structure, modulus of elasticity, and density in N-A-S-H geopolymer: a molecular dynamics simulation based on novel macromolecular model
Mojtaba Noorpour, Amir Tarighat
Topics & Concepts
GeopolymerMaterials scienceMacromoleculeModulusMolecular dynamicsCharge densityRadial distribution functionYoung's modulusDensity functional theoryIonAluminiumElasticity (physics)Chemical physicsThermodynamicsComputational chemistryComposite materialChemistryCompressive strengthPhysicsOrganic chemistryBiochemistryQuantum mechanicsConcrete and Cement Materials ResearchBuilding materials and conservationClay minerals and soil interactions