基于分子动力学的锗单晶晶体平面力学性能研究

Study on the Mechanical Properties of Monocrystalline Germanium Crystal Planes Based on Molecular Dynamics.

作者信息

Song Linsen, Song Juncheng, Li Junye, Wang Tiancheng, Zhao Zhenguo

机构信息

Ministry of Education Key Laboratory for Cross-Scale Micro and Nano Manufacturing, Changchun University of Science and Technology, Changchun 130022, China.

Chongqing Research Institute, Changchun University of Science and Technology, Chongqing 401135, China.

出版信息

Micromachines (Basel). 2022 Mar 15;13(3):441. doi: 10.3390/mi13030441.

DOI:10.3390/mi13030441

PMID:35334733

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8955306/

Abstract

Nanoindentation and atomistic molecular dynamics simulations of the loading surface of monocrystalline germanium were used to investigate the evolution of the key structure, the force model, the temperature, the potential, and the deformable layer thickness. The mechanical characteristics of typical crystal planes (001), (110), and (111) of the crystal system were compared under load. It was observed that the hardness and stiffness of the (110) plane were greatest among the three crystal planes, whereas the hardness and stiffness of the (111) plane were lowest. Moreover, the deformation layers at the ends of both planes were basically flat. The processing efficiency of the (111) surface was higher; thus, the (111) surface was considered the best loading surface. It was concluded that the subsurface defects of the monocrystalline germanium (111) plane were smaller and the work efficiency was higher during the processing of monocrystalline germanium, making it ideal for monocrystalline germanium ultra-precision processing.

摘要

采用纳米压痕和原子分子动力学模拟方法研究了单晶硅负载表面关键结构、力模型、温度、势能和可变形层厚度的演变。比较了晶体系统典型晶面（001）、（110）和（111）在负载下的力学特性。结果表明，（110）面的硬度和刚度在三个晶面中最大，而（111）面的硬度和刚度最低。此外，两个晶面末端的变形层基本平整。（111）面的加工效率更高；因此，（111）面被认为是最佳负载表面。研究得出结论，在单晶硅加工过程中，单晶硅（111）面的亚表面缺陷较小且工作效率较高，使其成为单晶硅超精密加工的理想选择。