Molecular Dynamics Simulation of AFM-based Nanoindentation

HUANG Yue-Fei

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Molecular Dynamics Simulation of AFM-based Nanoindentation

Article | 更新时间：2020-08-13

- Molecular Dynamics Simulation of AFM-based Nanoindentation
- Optics and Precision Engineering Vol. 16, Issue 11, Pages: 2072-2075(2008)
- 作者机构：
  
  江西理工大学
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Received：30 August 2007，
  
  Revised：26 November 2007，
  
  Published Online：25 November 2008，
  
  Published：25 November 2008
- 稿件说明：
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黄跃飞. 基于AFM的单晶铜薄膜压痕的分子动力学模拟[J]. 光学精密工程, 2008,16(11):2072-2075

HUANG Yue-Fei. Molecular Dynamics Simulation of AFM-based Nanoindentation[J]. Optics and precision engineering, 2008, 16(11): 2072-2075.
黄跃飞. 基于AFM的单晶铜薄膜压痕的分子动力学模拟[J]. 光学精密工程, 2008,16(11):2072-2075 DOI：

HUANG Yue-Fei. Molecular Dynamics Simulation of AFM-based Nanoindentation[J]. Optics and precision engineering, 2008, 16(11): 2072-2075. DOI：

摘要

使用三维分子动力学方法对基于AFM的单晶铜薄膜压痕过程进行了研究。采用对势Morse势计算试件原子之间，试件原子和压头原子之间的相互作用。模拟了不同压入深度的压痕过程，分析了压入深度对压头应力、系统势能变化的影响。结果显示单晶铜薄膜的纳米压痕的力学机理是非晶态产生的变形。当压入深度增加时，系统势能变化增大，压头应力变化增大，体现出强烈的尺寸效应。

Abstract

Three-dimensional molecular dynamics (MD) simulations are utilized to study the AFM-based nanoindentation process of monocrystalline copper film. The Morse potential is used to compute both the interactions between the specimen atoms

interactions between specimen atoms and indenter atoms. Nanoindentation processes are conducted to evaluate the indentation depths on the indenter’s stress and variations of system potential energy. The results shows that the plastic deformation via amorphous transformation is the mechanism of nanoindentation of monocrystalline copper film. With the increase of indentation depth

both of the variations of system potential energy and stress increase

indicating a strong size effect.

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