精密车削镍基单晶高温合金去除机理仿真与实验

doi:10.12068/j.issn.1005-3026.2024.10.011

摘要/Abstract

摘要：

为了探究精密车削镍基单晶高温合金微观尺度去除机理，首先，基于大规模原子/分子并行模拟器的分子动力学仿真法对仿真体系物理特性进行分析后，建立了金刚石刀具车削镍基单晶的车削仿真模型，并利用开源可视化工具分析得到了镍基单晶仿真车削过程中车屑的形成机制.然后，进行了镍基单晶高温合金车削去除机理实验研究，通过对车削镍基单晶高温合金亚表面微观组织的透射形貌和衍射分析，证实了去除机理仿真分析所得结果的准确性.仿真和实验结果表明，镍基单晶高温合金车削塑性去除机理为非晶演变型结构损伤、位错趋稳层错结构损伤和多晶相变结构损伤.

关键词: 镍基单晶高温合金, 精密车削, 去除机理, 分子动力学仿真, 结构演变

Abstract:

To explore the micro?scale removal mechanism of precision turning nickel?based single crystal superalloy， the simulation model of nickel?based single crystal turning by the diamond tool was firstly established after an analysis of the simulated physical characteristics based on the molecular dynamics simulation method by large?scale atomic/molecular parallel simulators， and the chip formation mechanism during the simulation process of nickel?based single crystal turning was analyzed by using an open visualization tool. Then the experimental research on the removal mechanism of nickel?based single crystal superalloy was carried out. The accuracy of the removal mechanism simulation results is confirmed by the transmission morphology and diffraction analysis of the subsurface microstructure of nickel?based superalloy. The simulation and test results indicated that the mechanisms of plastic removal in the process of turning nickel?based single crystal superalloy are structural damage to amorphous evolution， structural damage to dislocation stabilised stacking faults and structural damage to polycrystalline phase transition.

Key words: nickel?based single crystal superalloy, precision turning, removal mechanism, molecular dynamics simulation, structural evolution

中图分类号:

TH 161

周云光, 王书海, 陈晗, 李明. 精密车削镍基单晶高温合金去除机理仿真与实验[J]. 东北大学学报（自然科学版）, 2024, 45(10): 1452-1458.

Yun-guang ZHOU, Shu-hai WANG, Han CHEN, Ming LI. Simulation and Experiment of Removal Mechanism of Nickel-based Single Crystal Superalloy in Precision Turning[J]. Journal of Northeastern University(Natural Science), 2024, 45(10): 1452-1458.

图/表 14

图1 车削镍基单晶分子动力学仿真模型

Fig.1 Molecular dynamics simulation model for nickel?based single crystal turning

表1 Ni原子和C原子之间Morse势函数参量取值 (between nickel atom and carbon atom)

Table 1 Parameter values of Morse potential function

参量	D₀/eV	α/ $n m - 1$	r₀/ $n m$
取值	0.270	7.600	0.376

表1 Ni原子和C原子之间Morse势函数参量取值 (between nickel atom and carbon atom)

Table 1 Parameter values of Morse potential function

参量	D₀/eV	α/ $n m - 1$	r₀/ $n m$
取值	0.270	7.600	0.376

图2 近邻列表示意图

Fig.2 Schematic diagram of the proximity list

图3 仿真体系势能变化

Fig.3 Potential energy change of the simulation system

表2 车削加工仿真参数

Table 2 Simulation parameters of turning

位置	深度/nm	速度/（nm·ps^-1）	时间步长/ps
（100）晶面	1.0	1.0	10^-3

图4 非晶结构位置

Fig.4 Location of the amorphous structure

图5 非晶结构原子数量占比

Fig.5 Atom percentage of the amorphous structure

图6 层错结构形貌及位置

Fig.6 Morphology and location of the stacking fault structure

图7 汤普森四面体

Fig.7 Thompson tetrahedron

图8 趋稳演变过程

Fig.8 Stabilised evolution process

图9 镍基单晶晶粒形貌变化（a）—单晶原子排列；（b）—多晶原子排列.

Fig.9 Grain morphological change of the nickel?based single crystal

图10 镍基单晶高温合金非晶转变形貌（a）—明场低倍非晶区；（b）—选区非晶高倍形貌.

Fig.10 Morphology of the nickel?based single crystal superalloy amorphous transformation

图11 镍基单晶高温合金车削截面层错形貌（a）—衬度差异组织形貌；（b）—衬度差异区内显微结构.

Fig.11 Stacking fault morphology in the turned section of the nickel?based single crystal superalloy

图12 镍基单晶高温合金多晶化形貌和结构衍射（a）—多晶化形貌；（b）—多晶化结构衍射.

Fig.12 Polycrystalline morphology and structural diffraction of the nickel?based single crystal superalloy

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