Molecular dynamics simulation of the interfacial interaction mechanism between functional groups on graphene-based two-dimensional matrix and calcium silicate hydrate
Yang Zhou, Chenchen Xiong, Zechuan Peng, Jiale Huang, Honglei Chang
Topics & Concepts
GrapheneMaterials scienceMolecular dynamicsNucleationOxideDensity functional theorySilanolChemical physicsMatrix (chemical analysis)Calcium silicate hydrateChemical engineeringComposite materialNanotechnologyComputational chemistryCementOrganic chemistryMetallurgyChemistryCatalysisEngineeringConcrete and Cement Materials ResearchGraphene research and applicationsMagnesium Oxide Properties and Applications