Abstract

It has been widely recognized that the successful formation of cBN phase requires a bombardment of growing films with energetic ions. However, the intensive ion bombardment also causes high compressive internal stress during formation of film and decreases adhesion performance. The molecular dynamics analysis was applied to investigate the generation mechanism of internal stress in BN film prepared by ion mixing and vapor deposition (IVD) technique. Firstly, projection analysis was carried out as changing the acceleration voltage of N ion. After projection analysis, relaxation of target was carried out under constant pressure by Parrinello‐Rahman method. As a result, during projection analysis, the formation of sp3 bonds was observed and cubic structure was generated by transition of crystal structure from rhombohedral. After relaxation of target, an increase of volume of unit cell was observed. Therefore, it is concluded that the high internal compressive stress of cBN film is caused by increase of volume during transition of crystal structure.

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