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从原子量级揭示了金刚石刀具机械研磨过程中材料的去除机理——研磨过程中,研磨区域原子的相变是材料去除的主要原因.使用分子动力学方法建立了金刚石刀具和刚性金刚石磨粒的三维模型.采用Tersoff势函数计算了所有原子之间的作用力,并以1.5个晶格的切深进行了研磨过程模拟.通过观测模型内部原子位置的变化发现,研磨区域刀具原子的晶胞在研磨过程中被压扁,发生了从金刚石体心立方结构向无定形碳结构的转变.计算了研磨区域原子研磨前后的径向分布函数,进一步验证了该相变过程.同时,使用X射线衍射方法分析了研磨实验过程中产生的碎屑,分析结果表明研磨过程中确实有相变发生.
From the atomic level, the mechanism of material removal during the mechanical grinding of diamond cutting tools was revealed.During the grinding process, the phase transformation of the atoms in the grinding area was the main reason for the material removal.The three-dimensional (3D) structure of diamond tools and rigid diamond particles The Tersoff potential function was used to calculate the force between all the atoms and the milling process was simulated with a depth of 1.5 lattices.By observing the change of the atomic position in the model, it was found that the unit cell of the tool atom in the grinding area was grinding During the process of crushing, the transformation from the cubic structure of diamond body to the amorphous carbon structure took place. The radial distribution function before and after the atom grinding in the grinding area was calculated and the phase transformation process was further verified. Meanwhile, X-ray diffraction Analysis of the debris generated during the grinding experiment, the analysis showed that the grinding process did occur.