Effects of chirality and number of graphene layers on the mechanical properties of graphene-embedded copper nanocomposites

[Display omitted] •The graphene makes the nanocomposites stronger compare with pure copper.•The chirality of graphene influence the tensile strength and fracture strain most.•Layers of graphene significantly affects the Young’s modulus and tensile strength. In this paper, the mechanical properties o...

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Bibliographic Details
Published in:Computational materials science 2016-05, Vol.117, p.294-299
Main Authors: Duan, Ke, Zhu, Fulong, Tang, Kai, He, Liping, Chen, Yanming, Liu, Sheng
Format: Article
Language:English
Subjects:
A. Graphene
B. Nanocomposite
C. Mechanical properties
Chirality
COMPOSITES
Copper
D. Molecular dynamics method
ELASTICITY
Graphene
MECHANICAL PROPERTIES
MICROSTRUCTURES
Modulus of elasticity
Nanocomposites
Nanostructure
PROPERTIES
Tensile strength
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Summary:[Display omitted] •The graphene makes the nanocomposites stronger compare with pure copper.•The chirality of graphene influence the tensile strength and fracture strain most.•Layers of graphene significantly affects the Young’s modulus and tensile strength. In this paper, the mechanical properties of a single-crystal copper nanosheet and graphene nanoribbon-embedded copper (GNR/Cu) nanocomposites are investigated using the molecular dynamics (MD) method. Five different simulation models are used to investigate the effects of chirality, number of graphene layers, and temperature on the mechanical properties of GNR/Cu nanocomposites. The results show that the Young’s modulus, tensile strength, and fracture strain of GNR/Cu nanocomposites are much larger than those of a single-crystal copper nanosheet. For the GNR/Cu nanocomposites, the number of graphene layers has a large effect on the Young’s modulus and tensile strength. Conversely, the chirality influences the tensile strength and fracture strain the most, but has little effect on the Young’s modulus. With increasing temperature, the mechanical properties of both the single-crystal copper nanosheet and the GNR/Cu nanocomposites deteriorate.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2016.02.007