Molecular dynamics analysis of temperature effects on nanoindentation measurement
Molecular dynamics analysis of temperature effects on nanoindentation measurement
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DOI：
10.1016/s0921-5093(03)00219-3
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发表时间：
2003-09-25
期刊：
影响因子：
6.4
通讯作者：
Chang, JG
中科院分区：
文献类型：
--
作者：
Fang, TH;Weng, CI;Chang, JG
采用三维分子动力学模型研究了温度对原子尺度纳米压痕过程的影响。该模型利用莫尔斯势函数来模拟样品和工具之间的原子间力。结果表明，随着温度的升高，材料的杨氏模量和硬度均减小。结果还表明，在较高的温度下，弹性恢复较小。软化行为类似于先前的实验，并且估计的弹性模量远高于先前的实验。这种差异可能是由于对无缺陷单晶进行的模拟造成的。此外，在表面区域还观察到空位、原子台阶和塑性位错等缺陷。(C)2003 Elsevier Science B.V.保留所有权利。
A three-dimensional molecular dynamics (MD) model is carried out to study the effects of temperature on the atomic-scale nanoindentation process. The model utilizes the Morse potential function to simulate interatomic forces between the sample and tool. The results show that both Young's modulus and hardness become smaller as temperature increases. The results also indicate that elastic recovery is smaller at higher temperatures. The softening behavior is similar to the prior experiment and the estimated elastic moduli are much higher than the prior experiment. The discrepancy may be due to simulations performed on defect-free single crystals. In addition, some defects of vacancies, atomic steps and plastic indent are observed on the surface region. (C) 2003 Elsevier Science B.V. All rights reserved.