石墨烯中应变相关层间动态摩擦机制

IF 8.2 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Jianzhang Huang, Yi Cai, Shuang Gan, Yingjing Liang* and Qiang Han, 
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引用次数: 0

摘要

二维材料以其优异的性能在实际应用中已成为纳米机电系统的主要组成部分。本研究从能量耗散的角度出发,通过分子动力学模拟研究了等双轴拉伸和剪切应变下转动石墨烯层间的动态摩擦。为了消除可通约性和边缘效应的影响,建立了以环形石墨烯为滑块的摩擦副模型。分析了应变效应与温度、旋转频率和支承刚度耦合对层间摩擦的影响机理。结果表明,拉伸应变降低了层间摩擦,而剪切应变对摩擦的影响随温度的变化而变化。从界面莫尔条纹、熵效应、原子间相互作用、有效接触原子、面内变形、面外晶格振动、声子态密度等方面解释了摩擦耗散的机理。研究结果将为纳米机电系统和二维材料的设计和操作提供理论基础。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Mechanisms of Strain-Dependent Interlayer Dynamic Friction in Graphene

Mechanisms of Strain-Dependent Interlayer Dynamic Friction in Graphene

Two-dimensional materials have now become the main components of nanoelectromechanical systems due to their outstanding properties in practical application. This study investigates dynamic friction between rotational graphene layers under equi-biaxial tensile and shear strain via molecular dynamics simulations from the perspective of energy dissipation. To eliminate the influence of commensurability and the edge effect, a friction pair model with annular graphene as a slider is established. The mechanisms of strain effect coupling with temperature, rotational frequency, and supporting stiffness on the interlayer friction are analyzed. The results indicate that tensile strain reduces interlayer friction, while the shear strain effect on friction varies with temperature. The mechanism of frictional dissipation is explained from the perspectives of interface moiré pattern, entropic effect, interatomic interactions, effective contact atoms, in-plane deformation, out-of-plane lattice vibration, and phonon state density. The results of the research will provide a theoretical basis for the design and manipulation of nanoelectromechanical systems and two-dimensional materials.

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来源期刊
ACS Applied Materials & Interfaces
ACS Applied Materials & Interfaces 工程技术-材料科学:综合
CiteScore
16.00
自引率
6.30%
发文量
4978
审稿时长
1.8 months
期刊介绍: ACS Applied Materials & Interfaces is a leading interdisciplinary journal that brings together chemists, engineers, physicists, and biologists to explore the development and utilization of newly-discovered materials and interfacial processes for specific applications. Our journal has experienced remarkable growth since its establishment in 2009, both in terms of the number of articles published and the impact of the research showcased. We are proud to foster a truly global community, with the majority of published articles originating from outside the United States, reflecting the rapid growth of applied research worldwide.
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