Interface optimization by introducing Ti for strengthening graphene network/copper composites: New insight from MD simulations

IF 10.5 2区材料科学 Q1 CHEMISTRY, PHYSICAL

Carbon Pub Date : 2025-02-11 DOI:10.1016/j.carbon.2025.120109

Pengfei Wu , Rongxing Liu , Wenbo Li , Wei Zhang , Jiarui Wei , Qihang Zhou , Tie Wei , Arash Kardani , Zedong Lin , Yao Xiao , Mabao Liu

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引用次数: 0

Abstract

The inadequate bonding at the interface between graphene and the Cu matrix has significantly impeded the advancement of graphene-reinforced Cu matrix composites. In this study, Ti was introduced between the three-dimensional graphene network (GN) and the Cu matrix, which effectively strengthened the interfacial bonding by in-situ formation of Cu_xTi_y compounds and TiC with both the Cu matrix and GN. Compared with the GN/Cu composites, the maximum strength and interface separation strain of the GN-TiC-Cu_xTi_y/Cu (GT/Cu) composites are enhanced by 40 % and 275 %, respectively. Molecular dynamics simulations were used to study the strengthening mechanism of the GT/Cu composites. The results show that, the formation of Ti–C bonds, mechanical interlocking, and strong chemisorption significantly enhanced the interfacial adhesion and stress transfer between GN and the matrix, delaying the nucleation and propagation of cracks. On the other hand, the metallic bonds formed between the Cu_xTi_y layer and the Cu matrix further promote the stress transfer between the matrix and the reinforcement, and alleviate the stress concentration in the reinforcement part. In addition, the strengthened interface with dislocation blocking effectively enhances the load-bearing capacity of the Cu matrix. This study provides a new approach for the development of high-strength Cu matrix composites.

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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.