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Combining experiments and molecular dynamics simulations to investigate the effects of water on the structure and mechanical properties of a coal gangue-based geopolymer

Ningning Mao, Dazhi Wu, Keyu Chen, Kaiquan Cao, Junyi Huang

2023Construction and Building Materials49 citationsDOI

Topics & Concepts

Molecular dynamicsMaterials scienceRadial distribution functionAmorphous solidHydrogen bondMean squared displacementComposite materialMoleculeThermodynamicsComputational chemistryCrystallographyChemistryOrganic chemistryPhysicsConcrete and Cement Materials ResearchRock Mechanics and ModelingInnovative concrete reinforcement materials
Combining experiments and molecular dynamics simulations to investigate the effects of water on the structure and mechanical properties of a coal gangue-based geopolymer | Litcius