Molecular dynamics simulation investigation on the anti-freezing mechanisms of CSH-GS/GO interfaces

Construction and Building Materials(2023)

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摘要
•GO (OH) can greatly inhibit icing about freezing rate and unfrozen water content.•The debonding of GO nanosheets provides H-bond sites to inhibit icing structurally.•The dynamic behaviors of ions and nanosheets further affect icing.
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关键词
Molecular dynamics,Ice-water interface,Anti-freezing performance,Graphene-based materials,Calcium silicate hydrate
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