Role of Cr on the interfacial bonding, mechanical, and electrochemical corrosion properties of Cu matrix composites co-reinforced by Al2O3 whisker and graphene: combined experiments and first-principles calculations

The interface of Cr-doped Cu matrix composites co-reinforced by Al 2 O 3 whisker and graphene was constructed based on the first principle of density functional theory (DFT). The relationship between the interfacial bonding of the Cu matrix composites and Cr content was investigated. The connection...

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Bibliographic Details
Published in:Journal of materials science 2024-06, Vol.59 (24), p.10858-10876
Main Authors: Chen, Deping, Shao, Zhenyi, Pan, Hengkang, Li, Hui, Wang, Hao, Shu, Rui, Xian, Yong, Ding, Yichao
Format: Article
Language:English
Subjects:
Aluminum oxide
Bonding
Characterization and Evaluation of Materials
Chemistry and Materials Science
Chromium
Classical Mechanics
Computation & Theory
Copper
Corrosion resistance
Crystallography and Scattering Methods
Density functional theory
Electrochemical corrosion
Energy
First principles
Graphene
Heat resistance
Interfacial bonding
Load transfer
Magnesium alloys
Materials Science
Mechanical properties
Metal matrix composites
Nanocomposites
Plasma sintering
Polymer Sciences
Powder metallurgy
Principles
Solid Mechanics
Whisker composites
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Summary:The interface of Cr-doped Cu matrix composites co-reinforced by Al 2 O 3 whisker and graphene was constructed based on the first principle of density functional theory (DFT). The relationship between the interfacial bonding of the Cu matrix composites and Cr content was investigated. The connection among microstructures, interfacial bonding, mechanical properties, and electrochemical corrosion performance was further established. The DFT results show that Cr interfacial doping can improve the interfacial bonding of Cu(111)/Al 2 O 3 (0001) and Cu(111)/graphene. Enhanced interfacial bonding can increase interfacial load transfer efficiency, mechanical properties, and electrochemical corrosion properties of Cu matrix composites. However, the mechanical properties and corrosion resistance of Cu matrix composites increase first and subsequently decrease with increased Cr content. The rationale is that an increased Cr content will promote the formation of the secondary phase particles and increase the probability of interface debonding, thereby reducing the mechanical properties and corrosion resistance of Cu matrix composites.
ISSN:0022-2461
1573-4803
DOI:10.1007/s10853-024-09743-w