Nanoscale bending properties of bio-inspired Ni-graphene nanocomposites

Santhapuram, Raghuram R.; Muller, Scott E.; Nair, Arun K.

doi:10.1016/j.compstruct.2019.03.093

Cited by 23 publications

(7 citation statements)

References 86 publications

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“…Molecular dynamics (MD) simulation is one of the most widely-used numerical tools in the studies of physical and mechanical properties of nanomaterials since it provides information not readily accessible experimentally. A number of different processes have been explored in carbon-metal systems by MD, including deformation and fracture [ 30 , 31 , 32 , 33 , 34 ], structural transformations [ 35 , 36 ], defects [ 37 ] etc. The great advantage of MD simulations is the possibility to check the conditions that cannot be replicated in a real experimental environment.…”

Section: Introductionmentioning

confidence: 99%

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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Section: Introductionmentioning

confidence: 99%

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

et al. 2022

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“…Both the elastic deformation and fracture of Gr can be well captured by this potential . The Ni–C interaction was described by the Lennard-Jones potential with parameters of 0.023049 eV and 2.852 Å, which has been confirmed by density functional theory calculations and has been successfully applied in MD simulations for nanoindentation and bending of Ni/Gr composites. All simulation results were visualized by the OVITO software .…”

Section: Methodsmentioning

confidence: 70%

Strengthening in Metal/Graphene Composites: Capturing the Transition from Interface to Precipitate Hardening

Shuang

Dai

Aifantis

2021

ACS Appl. Mater. Interfaces

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A promising materials engineering method for improving the strength of crystalline materials is to add obstacles to dislocation motion that induce interface hardening (IH) or precipitate hardening (PH). In this study, molecular dynamics simulations are performed for Ni/graphene composites, revealing for the first time that graphene can strengthen the Ni matrix not only strictly via IH or PH but also through a continuous transition between the two. When graphene behaves like an interface, dislocation pileups form, whereas when it behaves as a precipitate, complex Orowan looping occurs by dislocation cross-slip. IH transitions to PH when the integrity of the graphene-dislocation configuration (GDC) deteriorates, leading to a reduced strengthening effect. Furthermore, the deformation of graphene is found to be an effective signature to indicate the real-time strengthening. This observation relates the graphene strengthening effect on metals to a combination of parameters, such as the GDC integrity, graphene deformation, and dislocation evolution, opening an avenue to tune the mechanical properties by controlling the dislocation movements and manipulating the dislocation–obstacle interaction mechanisms.

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“…The minimum distance between graphene layers that can increase the stiffness and modulus of graphene nanocomposites was shown to be 3.05 nm by Santhapuram et al. [ 188 ] Furthermore, when the distance between graphene layers was 10, 15, and 20 nm thick, the composites exhibited greater flexibility. The increase in the bending modulus of the composites was related to the graphene quality.…”

Section: Lamellar Architecturementioning

confidence: 99%

Advanced Composites Inspired by Biological Structures and Functions in Nature: Architecture Design, Strengthening Mechanisms, and Mechanical‐Functional Responses

Dai

et al. 2023

Advanced Science

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The natural design and coupling of biological structures are the root of realizing the high strength, toughness, and unique functional properties of biomaterials. Advanced architecture design is applied to many materials, including metal materials, inorganic nonmetallic materials, polymer materials, and so on. To improve the performance of advanced materials, the designed architecture can be enhanced by bionics of biological structure, optimization of structural parameters, and coupling of multiple types of structures. Herein, the progress of structural materials is reviewed, the strengthening mechanisms of different types of structures are highlighted, and the impact of architecture design on the performance of advanced materials is discussed. Architecture design can improve the properties of materials at the micro level, such as mechanical, electrical, and thermal conductivity. The synergistic effect of structure makes traditional materials move toward advanced functional materials, thus enriching the macroproperties of materials. Finally, the challenges and opportunities of structural innovation of advanced materials in improving material properties are discussed.

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Nanoscale bending properties of bio-inspired Ni-graphene nanocomposites

Cited by 23 publications

References 86 publications

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

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

Strengthening in Metal/Graphene Composites: Capturing the Transition from Interface to Precipitate Hardening

Advanced Composites Inspired by Biological Structures and Functions in Nature: Architecture Design, Strengthening Mechanisms, and Mechanical‐Functional Responses

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