排序方式: 共有4条查询结果,搜索用时 15 毫秒
1
1.
2.
基于Brenner的REBO势函数,利用分子动力学方法模拟了含氢量不同的类金刚石薄膜的纳米压痕过程,依据得到的加载卸载曲线,计算了薄膜的刚度、硬度以及弹性模量.结果表明:类金刚石薄膜的硬度由氢含量和sp3键含量两个因素共同决定;当薄膜中氢含量小于39% 时,薄膜硬度主要取决于sp3键含量,sp3键越多,硬度越高;当薄膜中氢含量达到52%,薄膜硬度则显著下降,此时氢的作用占据主导地位.
关键词:
类金刚石薄膜
分子动力学模拟
纳米压痕
硬度 相似文献
3.
Molecular Dynamic Simulation on Graphitization and Dehydrogenization of Hydrogenated Carbon Films in Vacuum 下载免费PDF全文
The thermal stability of hydrogenated carbon films with H fraction from zero to 51.5% is studied by carrying out a molecular dynamical simulation on the annealing process in vacuum. Our simulations show that both graphitization temperature and dehydrogenization temperature decrease with H fraction in the films, which is in good agreement with the available experimental data. The dehydrogenization temperature is found to be much higher than the graphitization temperature. It is indicated that graphitization is the dominant process causing the degeneration of hydrogenated carbon films. 相似文献
4.
Molecular Dynamical Simulations on a-C:H Film Growth from C and H Atomic Flux: Effect of Incident Energy 下载免费PDF全文
Molecular dynamical simulation is carried out to investigate the effects of the incident energy on a-C:H film growth from C and tt atomic flux. Our simulations show that the film growth at low incident energy (1 eV) is dominated by the adsorption of H and C atoms. At moderate incident energy (10 and 20eV), the abstraction reaction of incident H atoms with H atoms adsorbed at the surface becomes important. At high incident energy (30 and 40eV), the a-C:H film growth is a two-step process: one is the adsorption and the shallow implantation of C atoms, and the other is the deep implantation of H atoms. 相似文献
1