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Interaction energies, structure, and dynamics at functionalized graphitic structure–liquid phase interfaces in an aqueous calcium sulfate solution by molecular dynamics simulation
Molecular dynamics modeling of the interface between surface functionalized graphitic structures and calcium–silicate–hydrate: Interaction energies, structure, and dynamics
Reactive force-field molecular dynamics study on graphene oxide reinforced cement composite: functional group de-protonation, interfacial bonding and strengthening mechanism
Moisture Transport Mechanism at the Frp/Rpuf Interface of Composite Insulated Cross-Arms: Experimental, Finite Element and Molecular Dynamics Simulations
Load transfer mechanism at the calcium silicate hydrate/carbon nanotubes interface changed by carbon nanotubes surface modification investigated from atomic simulation
Molecular dynamics study of Gr(GO)/C-A-S-H composites at different temperatures: optimization of structural, dynamic and mechanical properties of civil engineering materials
Influence Mechanism of the Interfacial Water Content on Adhesive Behavior in Calcium Silicate Hydrate−Silicon Dioxide Systems: Molecular Dynamics Simulations
Temperature Dependence of Interfacial Bonding and Configuration Transition in Graphene/Hexagonal Boron Nitride Containing Grain Boundaries and Functional Groups
A Review of the Progress in Molecular Dynamics Simulation of Calcium Aluminosilicate Hydrate: From Structure and Properties to Applications
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