Molecular dynamical simulation on the mechanical property of hydrogenated diamond-like carbon films

被引：2

作者：

Quan Wei-Long ^{[1
,2
]}

Li Hong-Xuan ^{[1
]}

Ji Li ^{[1
]}

Zhao Fei ^{[1
]}

Du Wen ^{[1
]}

Zhou Hui-Di ^{[1
]}

Chen Jian-Min ^{[1
]}

机构：

[1] Chinese Acad Sci, State Key Lab Solid Lubricat, Lanzhou Inst Chem Phys, Lanzhou 730000, Peoples R China

[2] Lanzhou Jiaotong Univ, Sch Math Phys & Software Engn, Lanzhou 730070, Peoples R China

来源：

ACTA PHYSICA SINICA | 2010年 / 59卷 / 08期

基金：

中国国家自然科学基金;

关键词：

diamond-like carbon; reaction dynamical simulation; nano-indentation; hardness; GROWTH-MECHANISM; THIN-FILMS;

D O I：

10.7498/aps.59.5687

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The mechanical property of diamond-like carbon films with different hydrogen concentration is studied using molecular dynamical simulation based on REBO potential energy functions. The stiffness, hardness, and elastic modulus of the films are calculated from the load-unload curve. It is shown that both of the fraction of sp(3) carbon and the concentration of H in the films have strong influence on the film hardness. When H concentration in the film is lower than 39%, the hardness is mainly determined by sp(3) carbon, when H concentration further increases, the hardness decreases greatly despite the increase of the sp(3) fraction.

引用

收藏

页码：5687 / 5691

页数：5

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