Atomic-Scale Friction Studies on Single-Crystal Gallium Arsenide Using Atomic Force Microscope and Molecular Dynamics Simulation
Atomic-Scale Friction Studies on Single-Crystal Gallium Arsenide Using Atomic Force Microscope and Molecular Dynamics Simulation
复制标题
DOI：
10.1007/s41871-021-00109-3
复制
发表时间：
2022-03-01
影响因子：
--
通讯作者：
Upadhyaya, Hari M.
中科院分区：
文献类型：
--
作者：
Fan, Pengfei;Goel, Saurav;Upadhyaya, Hari M.
本文通过分子动力学模拟和原子力显微镜（AFM）纳米划痕实验对纳米尺度摩擦进行了研究，为纳米尺度摩擦的研究提供了新的视角和新的见解。这项工作考虑了砷化镓，一种位于锌层结构中的重要III-V直接带隙半导体材料，由于其在5G通信设备中的使用越来越多，因此作为参考样品材料。在模拟中，划痕深度作为0.5-3 nm的精细范围内的变量进行测试，以了解材料去除的行为并深入了解纳米级摩擦。从模拟中提取划痕力、法向力和平均切削力，以获得两个标量，即划痕切削能量（定义为去除单位体积材料所做的功）和动摩擦系数（定义为力比）。一个强大的尺寸效应，观察划痕深度低于2 nm的MD模拟和约15 nm的AFM实验。一个强有力的定量确证之间获得的特定的划痕能量由MD模拟和AFM实验确定，和更多的定性确证来自堆积和动摩擦系数。这一结论表明，特定的划痕能量是不敏感的工具的几何形状和划痕速度在这项调查中使用。然而，堆积和动摩擦系数取决于工具尖端的几何形状。
This paper provides a fresh perspective and new insights into nanoscale friction by investigating it through molecular dynamics (MD) simulation and atomic force microscope (AFM) nanoscratch experiments. This work considered gallium arsenide, an important III-V direct bandgap semiconductor material residing in the zincblende structure, as a reference sample material due to its growing usage in 5G communication devices. In the simulations, the scratch depth was tested as a variable in the fine range of 0.5-3 nm to understand the behavior of material removal and to gain insights into the nanoscale friction. Scratch force, normal force, and average cutting forces were extracted from the simulation to obtain two scalar quantities, namely, the scratch cutting energy (defined as the work performed to remove a unit volume of material) and the kinetic coefficient of friction (defined as the force ratio). A strong size effect was observed for scratch depths below 2 nm from the MD simulations and about 15 nm from the AFM experiments. A strong quantitative corroboration was obtained between the specific scratch energy determined by the MD simulations and the AFM experiments, and more qualitative corroboration was derived for the pile-up and the kinetic coefficient of friction. This conclusion suggests that the specific scratch energy is insensitive to the tool geometry and the scratch speed used in this investigation. However, the pile-up and kinetic coefficient of friction are dependent on the geometry of the tool tip.