文章基本信息

标题：Molecular Dynamics Simulation Model of AFM-Based NanoMachining
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作者：Rapeepan Promyoo ; Hazim El-Mounayri ; Kody Varahramyan 等
期刊名称：Computer Science & Information Technology
电子版ISSN：2231-5403
出版年度：2014
卷号：4
期号：11
页码：151-168
DOI：10.5121/csit.2014.41115
出版社：Academy & Industry Research Collaboration Center (AIRCC)
摘要：In this paper, a developed three-dimensional Molecular Dynamics (MD) model for AFM-basednanomachining is applied to study mechanical indentation and scratching at the nanoscale. Thecorrelation between the machining conditions, including applied force, depth, tip speed, anddefect mechanism in substrate/workpiece is investigeted. The simulations of nanoscratchingprocess are performed on different crystal orientations of single-crystal gold substrate, Au(100),Au(110), and Au(111). The material deformation and deformed geometry are extracted from thefinal locations of atoms, which are displaced by the rigid indenter. The simulation also allowsfor the prediction of forces at the interface between the indenter and substrate. Materialproperties including modulus of elasticity and hardness are estimated. It is found that propertiesvary significantly at the nanoscale. In addition to the modeling, an AFM is used to conductactual indentation and scratching at the nanoscale, and provide measurements to which the MDsimulation predictions are compared. Due to computational time limitation, the predicted forcesobtained from MD simulation only compares well qualitatively with the experimental results.
关键词：AFM-based Nanomachining; Molecular Dynamics (MD); Nanoindentation; Nanoscratching;Simulation