Experiment and molecular dynamics simulation of functionalized cellulose nanocrystals as reinforcement in cement composites

Construction and Building Materials(2022)

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摘要
•Polyethylene fiber enhanced the flexural strength and reduced compressive strength of mortar.•Two surfaces functionalized CNCs have opposite impacts on the mechanical properties of mortar.•Coating CNC improved fiber-cement interaction.•Molecular dynamics simulation results are consistent with the mechanical experiment results.
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关键词
Cellulose nanocrystal,Surface functionalized,Molecular dynamics simulation,CNC coated fiber,PE fiber
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