Modeling and mechanism of the mechanical interlocking for the carbon fiber/epoxy interphase

IF 10.5 2区材料科学 Q1 CHEMISTRY, PHYSICAL

Carbon Pub Date : 2024-11-26 DOI:10.1016/j.carbon.2024.119861

Zixi Li , Wenduo Chen , David Seveno , Dazhi Jiang

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引用次数: 0

Abstract

The intricate details governing the carbon fiber/epoxy interfacial characteristics at the molecular level have yet to be comprehensively unraveled. One of the reasons is that the effects of carbon fiber (CF) surface structures are oversimplified, leading to misconceptions regarding adhesion mechanisms. To advance knowledge of structure-property relationships, we employed molecular dynamics simulations to provide insights into the complexity of the CF surface and CF/epoxy interphase. A series of turbostratic surface models with different protrusion heights were built via crosslinking basic structural units inside hexagonal prism virtual energy walls to better model the physical and chemical features of a CF surface. Epoxy precursor and curing agent molecules were added and crosslinked to generate the CF/epoxy interphase models before loading the systems in tension and shear. It was found that the spatial variation of composition determines the longitudinal and transversal moduli distribution in the interphase. Moreover, higher protrusion increases the tensile strength and toughness in the transverse direction by transferring part of the tensile loading into the shear component. The mechanical interlocking between the polymer and the CF surface with microvoids and protrusions enhances both the interfacial shear strength and the effectiveness of load transmission.

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来源期刊

Carbon 工程技术-材料科学：综合

CiteScore

20.80

自引率

7.30%

发文量

审稿时长

23 days

期刊介绍： The journal Carbon is an international multidisciplinary forum for communicating scientific advances in the field of carbon materials. It reports new findings related to the formation, structure, properties, behaviors, and technological applications of carbons. Carbons are a broad class of ordered or disordered solid phases composed primarily of elemental carbon, including but not limited to carbon black, carbon fibers and filaments, carbon nanotubes, diamond and diamond-like carbon, fullerenes, glassy carbon, graphite, graphene, graphene-oxide, porous carbons, pyrolytic carbon, and other sp2 and non-sp2 hybridized carbon systems. Carbon is the companion title to the open access journal Carbon Trends. Relevant application areas for carbon materials include biology and medicine, catalysis, electronic, optoelectronic, spintronic, high-frequency, and photonic devices, energy storage and conversion systems, environmental applications and water treatment, smart materials and systems, and structural and thermal applications.