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• W4309263902 endingPage "111914" @default.
• W4309263902 startingPage "111914" @default.
• W4309263902 abstract "• Carbon fiber is functionalized with different types of small (amine and carboxylic) and large (aniline, single-chain para -amine surface grafted molecules (SGM), and double-chain meta -amine SGM) functional groups. • Larger functional groups are more effective as compared to small ones to increase interfacial thermal conductivity of carbon fiber/epoxy composites. • Larger molecules exhibit more rigorous fluctuations in their end-to-end distances. Chemical functionalization of carbon fiber surface is a widely used strategy to improve the out-of-plane thermal conductivity of carbon fiber reinforced plastics (CFRPs) for structural and space applications. However, determining the ‘right ligand’ to achieve this objective is a difficult problem. Molecular dynamics (MD) simulations are performed in this study to characterize the effect of different chemical ligands on the interfacial thermal conductivity ( K i ) of carbon fiber/epoxy composites. The carbon fiber is modeled as graphene layers, diglycidyl ether of bisphenol F (EPON862) and diethyl toluene diamine (DETDA) are used as epoxy and crosslinker in MD simulations. The carbon fiber is functionalized with different types of small (amine and carboxylic) and large (aniline, single-chain para -amine surface grafted molecules (SGM), and double-chain meta -amine SGM) functional groups with varying degrees of functionalization. When the carbon and the neighbouring epoxy molecules are bridged by relatively larger ligands, that are capable of large fluctuations in their end-to-end distances, we observe a very effective reduction in the thermal resistance that otherwise exists between base carbon and the epoxy matrix." @default.
• W4309263902 created "2022-11-25" @default.
• W4309263902 creator A5029906619 @default.
• W4309263902 creator A5043127177 @default.
• W4309263902 creator A5087051045 @default.
• W4309263902 date "2023-01-01" @default.
• W4309263902 modified "2023-10-11" @default.
• W4309263902 title "Molecular dynamic study on modulating the interfacial thermal conductivity of carbon fiber/epoxy interfaces" @default.
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• W4309263902 doi "https://doi.org/10.1016/j.commatsci.2022.111914" @default.
• W4309263902 hasPublicationYear "2023" @default.
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