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- W4386516537 abstract "In this work, molecular dynamics (MD) simulations were performed to explore the effects of hydroxyl functionalization on the mechanical properties of carbon nitride (C3N) reinforced epoxy composites. Pristine C3N and hydroxy-functionalized carbon nitride (C3N-OH) reinforced epoxy composites were constructed. Results show that the existence of hydroxyl can significantly improve the tensile and compressive mechanical properties of epoxy/C3N composites. The tensile yield strength of C3N-OH reinforced epoxy composite enhanced about 81% compared with that of pristine C3N reinforced epoxy composite. The root mean square displacement (MSD), interaction energy and free volume distribution of the two models were calculated to understand the reinforcing mechanism. This work promotes the application of two-dimensional C3N in enhancing the mechanical properties of epoxy." @default.
- W4386516537 created "2023-09-08" @default.
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- W4386516537 date "2023-08-08" @default.
- W4386516537 modified "2023-10-06" @default.
- W4386516537 title "Understanding the effect of functionalization on mechanical properties of carbon nitride reinforced epoxy composites from molecular level" @default.
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- W4386516537 doi "https://doi.org/10.54097/hset.v63i.10866" @default.
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