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应用分子动力学模拟方法研究了氧化硅团簇在不同的切削深度下切削单晶硅粗糙峰的过程,考察了切削过程中粗糙峰和氧化硅团簇形态变化、团簇的受力状况、粗糙峰原子配位数和温度分布等.模拟结果表明:切削深度小于0.5 nm时,被去除的材料以原子或者原子簇形式存在,并黏附在颗粒表面被带走;当切削深度增大至1 nm,材料的去除率增大,并形成大的切屑.在切削过程中,由于压力和温度的升高,粗糙峰切削区域的单晶硅转变为类似Si-Ⅱ相和Bct5-Si相的过渡结构,在切削过程后的卸载阶段,过渡结构由于压力和温度的下降转变为非晶态结构.
The molecular dynamics simulation method was used to study the process of cutting silicon single crystal silicon peaks at different depths of cut. The morphology of asperity and silicon oxide clusters during cutting were investigated. The stress conditions of the clusters, roughness Peak coordination number and temperature distribution, etc. The simulation results show that when the cutting depth is less than 0.5 nm, the removed material exists in the form of atoms or clusters and adheres to the surface of the particles and is taken away. When the depth of cut increases to 1 nm , The material removal rate increases, and the formation of large chips in the cutting process, due to the pressure and temperature increases, the rough cut region of the monocrystalline silicon into Si-Ⅱ-like phase and Bct5-Si phase transition structure During the unloading phase after the cutting process, the transitional structure is transformed into an amorphous structure due to the decrease of pressure and temperature.