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Molecular Dynamics Simulation of the Contact Process in AFM Surface Observations

机译：AFM表面观测中接触过程的分子动力学模拟

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摘要

In the present work, several molecular dynamics simulations have been performed to clarify dynamically the contact mechanism between the specimen surface and probe tip in surface observations by an atomic force microscope (SFM) or friction force microscope (FFM). In the simulation, a three-dimensional model is proposed where the specimen and the probe are assumed to consist of monocrystalline copper and rigid diamond or a carbon atom, respectively. The effect of the cantilever stiffness of the AFM/FFM is also taken into consideration. The surface observation process is simulated on a well-defined Cu{100} surface. From the simulation results it has been verified that the surface images and the two-dimensional atomic-scale stick-slip phenomenon, just as is the case for real AFM/FFM surface observations, can be detected from the spring force acting on the cantilever. From the evaluation of the behaviour of specimen surface atoms, the importance of the specimen stiffness in deciding the cantilever properties can also be understood. The influence of the probe tip shape on the force images is also evaluated. From the results it can be verified that the behaviour of the specimen surface atoms as well as the solid surface images in AFM/FFM surface observations can be understood using the molecular dynamics simulation of the model presented.
机译：在目前的工作中，已经进行了几种分子动力学模拟，以动态阐明在通过原子力显微镜（SFM）或摩擦力显微镜（FFM）进行的表面观察中，样品表面与探针尖端之间的接触机理。在模拟中，提出了一个三维模型，其中假定样本和探针分别由单晶铜和刚性金刚石或碳原子组成。还考虑了AFM / FFM悬臂刚度的影响。在清晰定义的Cu {100}表面上模拟了表面观察过程。从仿真结果可以证明，与实际AFM / FFM表面观测的情况一样，可以从作用在悬臂上的弹力中检测出表面图像和二维原子尺度的粘滑现象。通过评估样品表面原子的行为，还可以理解样品刚度在确定悬臂梁特性方面的重要性。还评估了探针尖端形状对力图像的影响。从结果可以证明，使用所提出模型的分子动力学模拟可以理解样品表面原子的行为以及AFM / FFM表面观测中的固体表面图像。

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