Effect of interface configuration on the mechanical properties and dislocation mechanisms in metal graphene composites

Charleston, Jonathan; Agrawal, Arpit; Mirzaeifar, Reza

doi:10.1016/j.commatsci.2020.109621

Cited by 30 publications

(11 citation statements)

References 37 publications

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“…4 a. Graphene can improve the mechanical strength of multilayer Cu / graphene (the initial structure is similar to Fig. 3 a, tension is applied parallel to graphene layers) composites during elastic and plastic deformation stages [32].…”

Section: Graphene As Strengthening Element For Metal Matrixmentioning

confidence: 96%

“…For interaction between carbon and metal atoms several approaches can be used. The simplest way is to use pair interatomic potential, like Morse or LJ because of weak binding energy between some metals and graphene: LJ potential was used for Cu-C interaction [21, 32,33], Au-C [34 -34], Ni-C [35 -37]. For a description of the interaction between graphene and Ni, bond order potential developed by Shibuta and Maruyama was used [36].…”

Section: Interatomic Potentials For Graphene-metal Compositesmentioning

confidence: 99%

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Simulation of metal-graphene composites by molecular dynamics: a review

et al. 2020

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Fabrication of the new composite materials with improved mechanical characteristics is of high interest nowadays. Simulation methods can considerably improve understanding of the interaction between the graphene and metal phase, even in the atomistic level. In the present work, the simulation of graphene-metal composites by molecular dynamics is reviewed. Both experiments and simulation results have shown that the metal matrix can be reinforced with graphene flakes, and the overall mechanical properties of the final composite structure can be significantly improved. Two basic types of metal-graphene composite structures are considered: (i) metal matrix strengthens by graphene flakes and (ii) crumpled graphene (the porous structure that consists of crumpled graphene flakes connected by van der Waals forces) as the matrix for metal nanoparticles. Several different types of interatomic potentials like pairwise Lennard-Jones or Morse or complex bond order potentials for the description of metal-carbon interaction are presented and discussed. It is shown that even simple interatomic potentials can be effectively used for the molecular dynamics simulation of graphene-metal composites. Particular attention is paid to graphene-Ni composites obtained by deformation and heat treatment from crumpled graphene with pores filled with Ni nanoparticles. It is shown, that high-temperature compression can be effectively used for the fabrication of the graphene-Ni composite with improved mechanical properties.

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Section: Graphene As Strengthening Element For Metal Matrixmentioning

confidence: 96%

Section: Interatomic Potentials For Graphene-metal Compositesmentioning

confidence: 99%

Simulation of metal-graphene composites by molecular dynamics: a review

et al. 2020

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“…On the one hand, it can prevent the dislocations gliding, which reduces the strength properties of the composite. On the other hand, such interfaces can be a dislocation source in the metal matrix, leading to a degradation in mechanical properties or even failure [ 23 , 24 , 25 , 26 , 27 , 28 , 29 ]. However, there are composites based on a graphene matrix filled with metal nanoparticles, in which the metal/graphene interfaces are blurred.…”

Section: Introductionmentioning

confidence: 99%

“…In most theoretical [ 24 , 26 , 41 , 42 , 43 , 44 , 45 , 46 , 48 , 49 , 50 , 51 ] and experimental works [ 6 , 7 , 8 , 9 , 11 , 12 , 23 , 25 , 27 , 28 , 29 ], metal–matrix composites with a small addition of carbon structures of different morphologies are considered while carbon–matrix composites with metal nanoparticles are poorly studied. Therefore, it is urgent to develop a technology for obtaining a similar type of composites, to study their mechanical properties, and to determine the mechanisms of deformation.…”

Section: Introductionmentioning

confidence: 99%

Effect of Nanoparticle Size on the Mechanical Strength of Ni–Graphene Composites

et al. 2021

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The effect of the size of nickel nanoparticles on the fabrication of a Ni–graphene composite by hydrostatic pressure at 0 K followed by annealing at 1000 and 2000 K is studied by molecular dynamics simulation. Crumpled graphene, consisting of crumpled graphene flakes interconnected by van der Waals forces is chosen as the matrix for the composite and filled with nickel nanoparticles composed of 21 and 47 atoms. It is found that the main factors that affect composite fabrication are nanoparticle size, the orientation of the structural units, and temperature of the fabrication process. The best stress–strain behavior is achieved for the Ni/graphene composite with Ni47 nanoparticle after annealing at 2000 K. However, all of the composites obtained had strength property anisotropy due to the inhomogeneous distribution of pores in the material volume.

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“…Graphene is a two-dimensional material made up by strongly cohesive carbon atoms through covalent bonds that present a sp 2 hybridization, these atoms are arranged in a honeycomb packed structure (hexagonal lattice) of one-atom thick. As well, this two-dimensional system is currently being investigated with great intensity due to its incredible mechanical, electronic, optical, magnetic, and thermal properties [1][2][3]. For this reason, researchers have been finding a wide variety of applications such as in nanoelectronics [4,5], energy storage [6,7], water purification [8] and as coated composite materials [9].…”

Section: Introductionmentioning

confidence: 99%

Efectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso

Cabanillas-Casas

Cuba-Supanta

Tapia

et al. 2021

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En el presente trabajo se estudiaron los efectos de forma y tamaño de los poros sobre las propiedades mecánicas de membranas de grafeno nanoporosas (GNP). Las simulaciones de dinámica molecular fueron ejecutadas para estudiar las respuestas mecánicas y estructurales bajo una tracción uniaxial. Los resultados de las curvas tensión-deformación de las membranas de GNP muestran un comportamiento lineal elástico para razones de deformación pequeñas ($<$0.03) independiente de la dirección quiral. La anisotropía quiral (dirección armchair y zigzag) es notoria conforme se incrementa la deformación hasta el punto de fractura. Las membranas de GNP con poro hexagonal y rectangular presentan una mayor tensión de fractura (65 GPa y 81 GPa, respectivamente). Además, el módulo elástico de Young disminuye conforme se incrementa el tamaño del poro. Se espera que este estudio brinde aplicación práctica como filtros de membranas de alto rendimiento.

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Effect of interface configuration on the mechanical properties and dislocation mechanisms in metal graphene composites

Cited by 30 publications

References 37 publications

Simulation of metal-graphene composites by molecular dynamics: a review

Simulation of metal-graphene composites by molecular dynamics: a review

Effect of Nanoparticle Size on the Mechanical Strength of Ni–Graphene Composites

Efectos de forma y tamaño del poro sobre las propiedades mecánicas de las membranas del grafeno nanoporoso

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