Construction of graphene network in Ni matrix composites: A molecular dynamics study of densification process

Yang, Yanjie; Liu, Mabao; Du, Jun; Zhang, Wei; Zhou, Shiqi; Ren, Weijia; Zhou, Qihang; Lan, Shi

doi:10.1016/j.carbon.2022.01.044

Cited by 24 publications

(13 citation statements)

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“…As described in Refs. [ 9 , 47 , 48 , 49 , 50 ], the potential function was successfully used to simulate the mechanical and adsorption properties of bulk carbon structures. In Ref.…”

Section: Methodsmentioning

confidence: 99%

“…The interactions among Ni atoms are also fitted using the Morse potentials with parameters

= 0.4205 eV,

= 2.78 Å and

= 1.4199 1/Å obtained in [ 56 ]. The potential used in the present work has been successfully applied in the literature to describe the metal-carbide systems [ 9 , 40 , 41 , 54 ]. Here, only the physical interaction between Ni nanoparticles and graphene flakes is considered, without considering the possible chemical bonding between them, which is beyond the scope of this paper.…”

Section: Methodsmentioning

confidence: 99%

“…For example, metals such as Ni, Au, and Pt are used in graphene fabrication as catalysts and, thus, can be precursors for new composite carbon structures [ 6 , 7 , 8 ]. Nickel has been both experimentally and numerically analyzed as a promising metal for the fabrication of composites with improved strength and ductility [ 9 , 10 , 11 ]. It is shown that even a small amount of graphene added to the metal matrix can significantly improve its mechanical properties [ 12 , 13 , 14 ].…”

Section: Introductionmentioning

confidence: 99%

“…Different external treatment for improvement of the composite properties was studied by both experimental and simulation techniques like shock treatment [ 17 ] and nanoindentation [ 13 , 18 ]. However, metal matrix composites are very well known to date, and new attempts have arisen to study metal/graphene composites with new architecture: on the basement of graphene aerogels, graphene oxide, or crumpled graphene in combination with metal nanoparticles [ 1 , 6 , 9 , 19 ]. Such composite materials can have a wide application, for example as corrosion-resistant materials [ 20 ], in automobile and aerospace engineering due to high strength [ 21 , 22 ] and wear resistance [ 23 ], to name a few.…”

Section: Introductionmentioning

confidence: 99%

“…For example, the formation of the Ni/graphene composites during sintering was analyzed in detail in Ref. [ 9 ], which allows for understanding of the structural transformations in such composites.…”

Section: Introductionmentioning

confidence: 99%

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Methodologyfor Molecular Dynamics Simulation of Plastic Deformation of a Nickel/Graphene Composite

et al. 2022

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In this study, some features of molecular dynamics simulation for evaluating the mechanical properties of a Ni/graphene composite and analyzing the effect of incremental and dynamic tensile loading on its deformation are discussed. A new structural type of the composites is considered: graphene network (matrix) with metal nanoparticles inside. Two important factors affecting the process of uniaxial tension are studied: tension strain rate (5 ×10−3 ps−1 and 5 ×10−4 ps−1) and simulation temperature (0 and 300 K). The results show that the strain rate affects the ultimate tensile strength under tension: the lower the strain rate, the lower the critical values of strain. Tension at room temperature results in lower ultimate tensile strength in comparison with simulation at a temperature close to 0 K, at which ultimate tensile strength is closer to theoretical strength. Both simulation techniques (dynamic and incremental) can be effectively used for such a study and result in almost similar behavior. Fabrication technique plays a key role in the formation of the composite with low anisotropy. In the present work, uniaxial tension along three directions shows a big difference in the composite strength. It is shown that the ultimate tensile strength of the Ni/graphene composite is close to that of pure crumpled graphene, while the ductility of crumpled graphene with metal nanoparticles inside is two times higher. The obtained results shed the light on the simulation methodology which should be used for the study of the deformation behavior of carbon/metal nanostructures.

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“…As described in Refs. [ 9 , 47 , 48 , 49 , 50 ], the potential function was successfully used to simulate the mechanical and adsorption properties of bulk carbon structures. In Ref.…”

Section: Methodsmentioning

confidence: 99%

“…The interactions among Ni atoms are also fitted using the Morse potentials with parameters

= 0.4205 eV,

= 2.78 Å and

Section: Methodsmentioning

confidence: 99%