A molecular dynamic study of nano-grinding of a monocrystalline copper-silicon substrate
A molecular dynamic study of nano-grinding of a monocrystalline copper-silicon substrate
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单晶铜硅基体纳米研磨的分子动力学研究
DOI：
10.1016/j.apsusc.2019.07.076
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发表时间：
2019-11
影响因子：
6.7
通讯作者：
Liu Yuhong
中科院分区：
文献类型：
--
作者：
Xu Yixin;Wang Miaocao;Zhu Fulong;Liu Xiaojian;Chen Qian;Hu Jianxiong;Lu Zilin;Zeng Pengjun;Liu Yuhong
采用分子动力学模拟方法研究了单颗金刚石磨粒对铜硅合金的纳米磨削过程。Cu-Si模型基于改进的嵌入原子方法。基于位错和相变分析了磨削深度、速度和铜层厚度对材料去除、缺陷、磨削力和温度的影响。我们的研究结果表明，界面的影响出现在4.3 nm的铜层。Shockley位错从磨削表面延伸到Cu-Si界面，伴随着六方密堆积（HCP）Cu的形成。在4.3 nm的磨削深度处，导致HCP转变的肖克莱位错明显增加。从面心立方结构到体心立方结构的相变伴随着原子动能的增加。当材料从弹性变形中恢复时，动能被释放。在7.3 eV/原子势和4.4 eV/原子动力学的高吸收能量下，在体心立方和面心立方相之间形成HCP结构。对于较薄的Cu层（2.2 nm），随着磨削深度越来越接近Cu-Si界面，形成更多的切屑，导致切向力急剧增加，而法向力几乎保持不变。在40 ~ 120 m/s的磨削速度范围内，磨削温度与磨削速度呈线性正相关。速度每增加20 m/s，工件温度升高约30 K。
We performed molecular dynamics simulations to study the nano-grinding process of copper-silicon with a single diamond abrasive grain. The Cu-Si model was based on the modified embedded-atom method. The effects of grinding depth, speed, and Cu thickness on material removal, defects, grinding forces, and temperature were analyzed based on dislocations and phase transitions. Our results show that effects of the interface emerge at a 4.3-nm Cu layer. Shockley dislocations extend from the ground surface to the Cu-Si interface, accompanied by formation of hexagonal-close-packed (HCP) Cu. Shockley dislocations, which lead to the HCP transition, clearly increase at a grinding depth of 4.3 nm. The phase transitions from the face-centered cubic to body-centered cubic structures are accompanied by an increase in the atomic kinetic energy. Kinetic energy is released as material recovers from elastic deformation. At high absorbed energies of 7.3 eV/atom potential and 4.4 eV/atom kinetic, the HCP structure is formed between the body-centered cubic and face-centered cubic phases. For the thinner Cu layer (2.2 nm), as the grinding depth gets closer to the Cu-Si interface, more chips form, causing the tangential forces to increase sharply, whereas the normal forces remain almost unchanged. Within a grinding speed range of 40 and 120 m/s, there is a linear positive correlation between the grinding temperature and the speed. The workpiece temperature rises by approximately 30 K for every 20 m/s increase in the speed.
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纳米级高速研磨单晶铜亚表面损伤和材料去除机制的分子动力学研究
影响因子：
6.7
作者：
Li, Jia;Fang, Qihong;Zhang, Liangchi
通讯作者：
Zhang, Liangchi
DOI：
10.1016/s0007-8506(07)62329-4
发表时间：
1995
期刊：
CIRP Annals
影响因子：
--
作者：
R. Rentsch;I. Inasaki
通讯作者：
R. Rentsch;I. Inasaki
影响因子：
6.7
作者：
Papanikolaou, Michail;Salonitis, Konstantinos
通讯作者：
Salonitis, Konstantinos
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影响因子：
4.1
作者：
Guo, Xiaoguang;Li, Qiang;Jin, Zhuji
通讯作者：
Jin, Zhuji
DOI：
--
发表时间：
2009
期刊：
--
影响因子：
--
作者：
A. Stukowski
通讯作者：
A. Stukowski