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Investigation of Interatomic Potential on Chip Formation Mechanism in Nanometric Cutting Using MD Simulation

机译:基于MD模拟的纳米切削切屑形成机理的原子间势研究。

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Nowadays, the nano-machining process is used to produce high quality finished surfaces with precise form accuracy. To understand and analyze the chip formation mechanism of nano-machining process on an atomistic scale, since the experimentation is not an easy task, numerical simulation such as molecular dynamic (MD) simulation is a very useful method. In this paper, MD simulation of the nano-metric cutting of single-crystal copper was performed with a single crystal diamond tool. The model was solved with both pair wise Morse potential function and embedded atom method (EAM) potential to simulate the inter-atomic force between the work-piece and a rigid tool. The chip formation mechanism, dislocation generation, tool forces and generated temperature were investigated. Results show that the Morse potential cannot perform an appropriate defect formation and plastic deformation in nano-metric cutting of metals. Also, tool forces in Morse potential are more than the forces in EAM potential. Furthermore, the fluctuations of resultant forces in Morse potential are greater than that of EAM. In addition, using many-body interaction potentials like EAM can lead to substantial changes in surface energies, elastic-plastic properties and atomic displacement, compared with the pair-wise potentials like Morse. Finally, the atomic displacement investigation shows that in EAM potential study, only the atoms in a local region near the cutting process are displaced, but in Morse potential a large portion of atoms has affected during cutting process. Subsequently, the chip temperature in EAM potential is more than that of Morse potential.
机译:如今,纳米加工工艺已用于生产具有精确形状精度的高质量精加工表面。为了在原子尺度上理解和分析纳米加工过程的切屑形成机理,由于实验不是一件容易的事,因此诸如分子动力学(MD)模拟的数值模拟是一种非常有用的方法。在本文中,使用单晶金刚石工具进行了单晶铜纳米级切割的MD模拟。用成对的莫尔斯电势函数和嵌入式原子方法(EAM)电势对模型进行求解,以模拟工件与刚性工具之间的原子间力。研究了切屑形成机理,位错产生,工具力和产生温度。结果表明,在金属的纳米级切削中,莫尔斯电势不能执行适当的缺陷形成和塑性变形。而且,莫尔斯电势中的工具力要大于EAM电势中的力。此外,合力在摩尔斯电势中的波动大于EAM。另外,与诸如莫尔斯电对的成对电势相比,使用诸如EAM的多体相互作用电势会导致表面能,弹塑性和原子位移发生重大变化。最后,原子位移研究表明,在EAM电势研究中,只有切割过程附近局部区域中的原子发生位移,而在莫尔斯电势中,很大一部分原子在切割过程中受到影响。随后,EAM电势中的芯片温度高于莫尔斯电势。

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