结构超润滑性的电子尺度起源

IF 6.1 1区工程技术 Q1 ENGINEERING, MECHANICAL

Tribology International Pub Date : 2024-10-02 DOI:10.1016/j.triboint.2024.110294

Ziwen Cheng , Haochen Feng , Yangyang Lu , Zhibin Lu , Q.-C. He

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引用次数: 0

摘要

通过第一性原理计算，研究了与自失配异质结、旋转失配同质结和曲率失配同轴双壁纳米管有关的结构超润滑（SSL）现象。计算结果表明，界面电子密度波动是产生 SSL 所有特性的原因，并能有效地预测和描述这些特性。这一结果进一步揭示了 SSL 的产生是由于两个惰性表面的不可比接触大大削弱了它们之间的电子相互作用。基于电子再分布的 SSL 模型显然克服了基于注册指数（RI）或局部引脚（LP）的 SSL 模型所带来的局限性。

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Electron-scale origin of structural superlubricity

First-principles computations are performed to study the phenomenon of structural superlubricity (SSL) relative to self-mismatched heterojunctions, rotating-mismatched homojunctions and curvature-mismatched coaxial double-walled nanotubes. It follows from the computations that the interfacial electron density fluctuation is responsible for all characteristics of SSL and can serve as predicting and describing them efficiently. This result further reveals that SSL comes from the fact that the incommensurable contact of two inert surfaces weakens their electronic interactions considerably. The model of SSL based on the electron redistribution a fortiori overcomes the limitations presented by the models of SSL based on the registry index (RI) or on the local pinning (LP).

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来源期刊

Tribology International 工程技术-工程：机械

CiteScore

10.10

自引率

16.10%

发文量

627

审稿时长

35 days

期刊介绍： Tribology is the science of rubbing surfaces and contributes to every facet of our everyday life, from live cell friction to engine lubrication and seismology. As such tribology is truly multidisciplinary and this extraordinary breadth of scientific interest is reflected in the scope of Tribology International. Tribology International seeks to publish original research papers of the highest scientific quality to provide an archival resource for scientists from all backgrounds. Written contributions are invited reporting experimental and modelling studies both in established areas of tribology and emerging fields. Scientific topics include the physics or chemistry of tribo-surfaces, bio-tribology, surface engineering and materials, contact mechanics, nano-tribology, lubricants and hydrodynamic lubrication.