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用经典的力场方法对金刚石(C)、氮化硼(BNx)和氮化碳(CNx)结晶硬涂层膜的力学性能进行了探讨,确定原子结构、本体和杨氏模量为膜厚度的函数。探讨了吸附物对金刚石模量或表面张力的影响。另外,研究了不同氮化物中氮浓度以及不同取向和键合环境(sp2和sp3)下氮原子对模量的影响,揭示了系统的规律。同时,测定了空位对硬度的影响。
The mechanical properties of the hard coating films of diamond (C), boron nitride (BNx) and carbon nitride (CNx) were studied by the classical force field method. The atomic structure, bulk and Young’s modulus The function. The effect of adsorbate on diamond modulus or surface tension was discussed. In addition, the effect of nitrogen concentration on the modulus of nitrogen in different nitrides and nitrogen atoms in different orientation and bonding environments (sp2 and sp3) was studied, and the regularity of the system was revealed. At the same time, the effect of vacancy on hardness was measured.