Molecular dynamics study on the tensile properties of graphene/Cu nanocomposite

Hua, Jun; Zhirong, Duan; Chen, Song; Liu, Qinlong

doi:10.1142/s204768411750021x

Cited by 7 publications

(5 citation statements)

References 25 publications

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“…Jun Hua et al 30 studied the effect of strain rate on the elastic modulus of Cu nanocomposite. The results showed that by increasing the strain rate from 0.0005/ps to 0.005/ps, Young’s modulus decreased from 210 GPa to 191 GPa (about 9%).…”

Section: Resultsmentioning

confidence: 99%

Mechanical properties of aluminum/SiNT nanocomposite

Motamedi

Mehrvar

Nikzad

2022

Proceedings of the Institution of Mechanical Engineers, Part C:

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Molecular dynamics simulation is among the most significant methods in nanoscale studies. This paper studied the effect of strain rate, temperature, and nanotube chirality on the stress-strain behavior of aluminum/silicon nanotubes (SiNTs) using molecular dynamics simulation. Ultimate tensile stress and Young’s modulus of the nanocomposite were evaluated using molecular dynamics simulation. According to the results, Young’s modulus of the nanocomposite decreased with increasing temperature. Also, Young’s modulus decreased by increasing the strain rate. Next, an experimental approach was used based on the Box–Behnken design. According to the input parameters and the experimental approach, the number of simulations in the software was 39 runs. Overall, it is concluded that the optimal conditions were created at a temperature of 50 K, a strain rate of 0.01/ps, and chirality of (5,5), leading to the elasticity modulus of 137 GPa and the ultimate tensile stress of 11.8 GPa.

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Section: Resultsmentioning

confidence: 99%

Mechanical properties of aluminum/SiNT nanocomposite

Motamedi

Mehrvar

Nikzad

2022

Proceedings of the Institution of Mechanical Engineers, Part C:

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“…The interactions between carbon atoms of Gr were described by the adaptive intermolecular reactive empirical bond order (AIREBO) potential [20]. The interaction between Cu and C was described by Lennard-Jones potential function, with a potential depth of 0.019996 eV and a size parameter of 3.225 Å [21]. All simulations apply periodic boundary conditions along the Z-axis.…”

Section: Mechanical Performance Testmentioning

confidence: 99%

“…Molecular dynamics simulations were used to verify the influence mechanism of Gr layers and stacking on the mechanical properties of composite materials. In previous molecular dynamics simulation studies, the strength of Gr/Cu composites was generally higher than that of Cu [19,21,32]. Guo et al [32] used molecular dynamics simulation at 300 K to get the tensile strength of copper to be 8.1 GPa, and the strength of Cr/Cu composite material was 9.5 GPa.…”

Section: Molecular Dynamics (Md) Simulationsmentioning

confidence: 99%

Preparation and Mechanical Properties of Layered Cu/Gr Composite Film

Qin

Chen

et al. 2021

Coatings

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Graphene (Gr) has proved its significant role as a reinforcement material in improving the strength of metal matrix composites due to its excellent mechanical properties. In this paper, Gr/Cu composite film with a layered structure was prepared by layering electrodeposition. The directional distribution of Gr in the Cu film was insured by this method, which gives play to its ultra-high-strength in a two-dimensional plane. In the meantime, the effect of electrodeposition time on the distribution structure of the Gr layer was studied. The structure analysis and mechanical properties test show that the strength of the layered Gr/Cu composite film is greatly improved compared to the pure Cu film. Furthermore, the strength of the composite film increases at the beginning and then decreases with the electrodeposition time of the Gr layer increasing, while the coverage and the degree for the layer stacking of Gr gradually increase in this process. In conclusion, the influence of different Gr distributions on the mechanical properties of the composite film has been studied by combining the experimental results with molecular dynamics simulation, which lays an effective foundation for further optimizing the structure of Gr in the layered composite film and improving the mechanical properties.

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“…In the past decades, the molecular dynamics (MD) simulation has been proven to be a reliable and promising tool to explore the nanoscale mechanical behavior of various materials. For example, studies on the mechanical behavior of amorphous polymer materials [25,26], the microscopic deformation characteristics of inorganic minerals or metals [27,28], the tensile strength of a single carbon nanotube [29,30] or one layer of graphene [31,32], and the nanoscale shear enhancing mechanism of carbon nanotubes in cement [33], all using the MD simulation method, have been reported. A large amount of significant efforts to develop the united atom [34,35] and coarse-grained [36][37][38] have been carried out.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations of Polymer Grouting Material: Its Mechanical Behavior under Uniaxial Tension, Cyclic Tensile Loading, and Stress Relaxation

Zhang

Zhao³

et al. 2022

Geofluids

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At present, polyurethane (PU) has been extensively used as a grouting material in civil engineering. The mechanical properties of PU are the key to achieving the desirable grouting effect. This study presents the research results of the mechanical behavior of PU matrix under tensile, successive cyclic tensile, and stress relaxation at the nanoscale, using the coarse-grained molecular dynamics simulation method. The influences of the number of molecule chains and strain rate on the tensile mechanical properties are discussed, and the tensile deformation mechanism of PU matrix is revealed. The tensile strength of PU matrix is independent of loading path, and after yielding, the strain of PU matrix contains the elastic strain, plastic strain, and viscous strain. In the stress relaxation process, the evolution of the axial stress is mainly caused by the varied van der Waals interactions. The stress relaxation behavior of PU matrix can be described by the viscoelastic model consisting of one elastic element in parallel with one Maxwell element.

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Molecular dynamics study on the tensile properties of graphene/Cu nanocomposite

Cited by 7 publications

References 25 publications

Mechanical properties of aluminum/SiNT nanocomposite

Mechanical properties of aluminum/SiNT nanocomposite

Preparation and Mechanical Properties of Layered Cu/Gr Composite Film

Molecular Dynamics Simulations of Polymer Grouting Material: Its Mechanical Behavior under Uniaxial Tension, Cyclic Tensile Loading, and Stress Relaxation

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