Effect of graphene on solid–liquid coexistence in Cu nanodroplets

Zheng, Quan; Tian, Zean; Gao, Tinghong; Liang, Yongchao; Chen, Qian; Liang, Qian

doi:10.1016/j.apsusc.2023.157952

Cited by 2 publications

(1 citation statement)

References 61 publications

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“…Approx. 120 K lower than the free melting point [97], [99] Graphene disorder upon heating (simulation) 5100 K [98], [100] Graphene composites, more specifically polymer matrix composites, are among the most profitable industrial products in various applications. The current state of the study of surface characteristics of graphene is predominant in graphene composite applications.…”

Section: Graphene (2d Nucleationmentioning

confidence: 99%

Physical Properties of Graphene

Makhsin

2023

JMechE

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In the realm of engineering materials, a profound understanding of structural and physical characteristics holds paramount importance due to their ubiquitous presence and diverse applications. This comprehensive review delves deeply into the intricate physical attributes, commonly referred to as "physical properties," of materials based on graphene. It encompasses a wide range of aspects, including magnetic properties, optical behaviours, electrical and thermal conductivities, thickness and layer arrangements, size and shape variations, colour properties, melting points, and hardness traits. This review also explores the intriguing correlation between graphene's thickness and layering and their respective effects on its properties. Special emphasis is placed on the characterization techniques used to unveil these properties, with detailed examples from recent literature illustrating their significance. Advanced instrumentation, such as Atomic Force Microscopy (AFM), Surface Plasmon Resonance spectroscopy (SPR), Raman spectroscopy, Transmission Electron Microscopy (TEM), and X-ray Diffraction (XRD), is harnessed to provide comprehensive insights into the physical characteristics of graphene-based materials. In essence, this concise yet comprehensive review illuminates the exceptional physical properties of graphene-based materials and their potential to revolutionize various industrial sectors.

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Section: Graphene (2d Nucleationmentioning

confidence: 99%

Physical Properties of Graphene

Makhsin

2023

JMechE

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Coarse-grained molecular dynamic model and wettability simulation of graphite materials

Nan,

He,

et al. 2024

Journal of Applied Physics

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Although progress has been made in high-performance computing, there are still limitations on temporal and spatial scales of molecular dynamic calculations. A major issue in molecular dynamic (MD) simulations is the computational cost, and coarse-grained methods can save computational costs and accelerate calculations by reducing the degrees of freedom in the system. This method takes a selected group of representative atoms in the atomic microstructure as a bead and uses the proportional relationship of atomic scale atomic potentials in MD simulation to define the interaction between beads and solve the motion equation of beads. This article proposed a coarse-grained potential for graphite based on the modification of Airebo potential, with an n3: 1 mapping, and established a corresponding n3: 1 coarse-grained model, where one bead represents the number of n3 atoms. The results indicated that the coarse-grained model well reflected the basic thermal and mechanical properties of graphite. In addition, this article also proposed a coarsening method for the Lennard–Jones (L–J) potential function parameters and established a coarse-grained wetting model with n = 2. The results indicate that the coarse-grained wetting model can effectively predict the wetting performance of copper droplets on graphite in only 60% of the time using the all-atom model. The coarsening potential function and model proposed in this article are also applicable to graphite with rough surfaces. It can be anticipated that coarse-grained molecular dynamics methods will have more applications in the future, as they can handle large-scale calculations more quickly.

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Effect of graphene on solid–liquid coexistence in Cu nanodroplets

Cited by 2 publications

References 61 publications

Physical Properties of Graphene

Physical Properties of Graphene

Coarse-grained molecular dynamic model and wettability simulation of graphite materials

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