Large-scale simulation of graphene and structural superlubricity with improved smoothed molecular dynamics method

Shuai, Wang; Zhao, LeiYang; Liu, Yan

doi:10.1016/j.cma.2022.114644

Cited by 5 publications

(6 citation statements)

References 67 publications

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“…The study showed that the geometric sequence of fundamental dodecagonal tiling elements in the quasicrystal structure had a superlubricity state in the lubrication process. The superlubricity behaviors of graphene interlayers and between graphene flakes and graphite were also validated by the molecular dynamic (MD) simulation [58]. It was found that the interlayer defect of vacancy had nearly no influence on the superlubricity behavior of graphene interlayers with incommensurate contact at a certain orientation [59].…”

Section: Frictionmentioning

confidence: 96%

Graphene superlubricity: A review

Chai

Shi

et al. 2023

Friction

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Superlubricity has drawn substantial attention worldwide while the energy crisis is challenging human beings. Hence, numerous endeavors are bestowed to design materials for superlubricity achievement at multiple scales. Developments in graphene-family materials, such as graphene, graphene oxide, and graphene quantum dots, initiated an epoch for atomically thin solid lubricants. Nevertheless, superlubricity achieved with graphene-family materials still needs fundamental understanding for being applied in engineering in the future. In this review, the fundamental mechanisms for superlubricity that are achieved with graphene-family materials are outlined in detail, and the problems concerning graphene superlubricity and future progress in superlubricity are proposed. This review concludes the fundamental mechanisms for graphene superlubricity and offers guidance for utilizing graphene-family materials in superlubricity systems.

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Section: Frictionmentioning

confidence: 96%

Graphene superlubricity: A review

Chai

Shi

et al. 2023

Friction

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“…The intricate balance between atomic structures, surface interactions, environmental conditions, and material properties requires a comprehensive understanding to achieve reliable and consistent superlubric behavior. Recent research has focused on developing advanced computational models and simulations to gain insights into the mechanisms underlying superlubricity and guide experimental efforts [ 16 , 28 ]. For example, Wang et al [ 28 ] introduced a smoothed molecular dynamics method that incorporates a mapping strategy between atoms and a background mesh, enabling efficient atomic simulations with larger feasible timesteps.…”

Section: Challenges and Future Directionsmentioning

confidence: 99%

“…Recent research has focused on developing advanced computational models and simulations to gain insights into the mechanisms underlying superlubricity and guide experimental efforts [ 16 , 28 ]. For example, Wang et al [ 28 ] introduced a smoothed molecular dynamics method that incorporates a mapping strategy between atoms and a background mesh, enabling efficient atomic simulations with larger feasible timesteps. The findings provided valuable insights into the role of interfacial dynamics in achieving and maintaining superlubricity.…”

Section: Challenges and Future Directionsmentioning

confidence: 99%

“…Multiscale Modeling and Simulation: The development of advanced computational models and simulations is vital for understanding the complex dynamics of superlubric systems. Researchers are leveraging multiscale modeling techniques to bridge the gap between atomic-level interactions and macroscopic behavior [ 15 , 28 ]. This enables the prediction and optimization of superlubricity in different environments and under varying operating conditions, facilitating the design of more efficient and reliable superlubric systems.…”

Section: Challenges and Future Directionsmentioning

confidence: 99%

“…When the atomic structures of the sliding surfaces lack matching periodicity, it reduces their interactive forces, leading to ultra-low friction. Graphene, with its unique lattice structure, is an archetypal example of a material demonstrating structural superlubricity when its layers are misaligned [ 13 , 28 ]. Interestingly, misalignment between the layers of graphene can result in the formation of twisted graphene structures, commonly known as twisted bilayer graphene (TBG) or moiré superlattices.…”

Section: Introductionmentioning

confidence: 99%

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Superlubricity of Materials: Progress, Potential, and Challenges

et al. 2023

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This review paper provides a comprehensive overview of the phenomenon of superlubricity, its associated material characteristics, and its potential applications. Superlubricity, the state of near-zero friction between two surfaces, presents significant potential for enhancing the efficiency of mechanical systems, thus attracting significant attention in both academic and industrial realms. We explore the atomic/molecular structures that enable this characteristic and discuss notable superlubric materials, including graphite, diamond-like carbon, and advanced engineering composites. The review further elaborates on the methods of achieving superlubricity at both nanoscale and macroscale levels, highlighting the influence of environmental conditions. We also discuss superlubricity’s applications, ranging from mechanical systems to energy conservation and biomedical applications. Despite the promising potential, the realization of superlubricity is laden with challenges. We address these technical difficulties, specifically those related to achieving and maintaining superlubricity, and the issues encountered in scaling up for industrial applications. The paper also underscores the sustainability concerns associated with superlubricity and proposes potential solutions. We conclude with a discussion of the possible future research directions and the impact of technological innovations in this field. This review thus provides a valuable resource for researchers and industry professionals engaged in the development and application of superlubric materials.

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A critical assessment and improvements on the efficiency of smoothed molecular dynamics method

Wang,

Liu

2024

Comp. Part. Mech.

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Large-scale simulation of graphene and structural superlubricity with improved smoothed molecular dynamics method

Cited by 5 publications

References 67 publications

Graphene superlubricity: A review

Graphene superlubricity: A review

Superlubricity of Materials: Progress, Potential, and Challenges

A critical assessment and improvements on the efficiency of smoothed molecular dynamics method

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