The Hardness of Amorphous Si-DLC Films by Molecular Dynamics Simulations
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition2013年第3期
论文作者：兰惠清 LIU Can
文章页码：444 - 448
摘 要：Silicon-doped diamond-like carbon （Si-DLC） films possess the potential to improve wear performance of DLC films in humid atmospheres and at higher temperatures. But many experimental results of Si-DLC films show that their structure and mechanical properties have changed greatly with the increasing silicon content. Therefore, molecular dynamics （MD） simulations were used to generate hydrogen-free Si-DLC films and study their nano-indentation process under the interaction of a diamond indenter. The results show that sp3/sp2（C） （only carbon atoms） always decreases with the increasing silicon content. But sp3/sp2（C+Si） ratio increases firstly and reaches a maximum at the silicon content of 0.2, and then decreases with the further increase of the silicon content. Bulk modulus and hardness of the Si-DLC films both decrease with the increasing of the silicon content, which has the same trend with Papakonstantinou and Ikeyama’s results. It is concluded that the hardness of the Si-DLC films is dependent on sp3/sp2（C）, not sp3/sp2（C+Si）.
兰惠清1，LIU Can1,2
1. School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University2. Institute of Higher Energy Physics, Chinese Academy of Sciences
摘 要：Silicon-doped diamond-like carbon （Si-DLC） films possess the potential to improve wear performance of DLC films in humid atmospheres and at higher temperatures. But many experimental results of Si-DLC films show that their structure and mechanical properties have changed greatly with the increasing silicon content. Therefore, molecular dynamics （MD） simulations were used to generate hydrogen-free Si-DLC films and study their nano-indentation process under the interaction of a diamond indenter. The results show that sp3/sp2（C） （only carbon atoms） always decreases with the increasing silicon content. But sp3/sp2（C+Si） ratio increases firstly and reaches a maximum at the silicon content of 0.2, and then decreases with the further increase of the silicon content. Bulk modulus and hardness of the Si-DLC films both decrease with the increasing of the silicon content, which has the same trend with Papakonstantinou and Ikeyama’s results. It is concluded that the hardness of the Si-DLC films is dependent on sp3/sp2（C）, not sp3/sp2（C+Si）.
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