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中文摘要：
建立了考虑磨粒磨损的三维分子动力学仿真模型,将固体物理学中的爱因斯坦模型引入到金刚石磨粒原子的温度转换过程中,设计了分子动力学仿真程序.研究结果表明：在磨削的初期,磨粒有明显的磨损,但当磨损到一定阶段后,磨粒不再磨损,磨削开始进入稳定的切削状态.金刚石磨粒的磨损主要发生在磨粒的最底部,这与表面效应有密切关系.由于表面效应,磨粒底部表面原子配位不足,导致磨粒底部结构表面存在许多缺陷,使磨粒底部表面具有很高的活性,极不稳定,根据最小能量原理,它将自发地向最低能量状态变化,也就是通过塑性变形、非晶相变等变化释放能量,使磨粒的表面能减少,从而发生磨损.
英文摘要：
This paper first establishes a 3D molecular dynamics simulation model for abrasive wear. The Einstein model in solid-state physics is introduced for the conversion between the kinetic energy and temperature of the diamond atom. Then, a 3D MD program is made and executed. The results that the abrasion occurs in the early of period of the grinding. With the advance of the grinding, this kind of wear is no longer seen and the grinding comes into a steady state. In addition, the abrasive wear only can be found in the bottom of the abrasive and the surface effect has a close relation with the abrasion. The surface effect causes the shortage of configuration of atoms in the bottom of the abrasive. Thus, there are defects on the surface of the abrasive,especially at the bottom of the abrasive where the atoms have strong activity and are in an unstable condition. According to the least-energy principle, these atoms will release the energy spontaneously through plastic deformation and amorphous phase transformation,producing the wear.
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