物理化学学报2017，Vol.33Issue(12)：2472-2479,8.DOI:10.3866/PKU.WHXB201706222
热辅助存储磁盘硅掺杂非晶碳薄膜氧化的ReaxFF反应力场 分子动力学模拟
ReaxFF Reactive Molecular Dynamics Simulation of the Oxidation of Silicon-Doped Amorphous Carbon Film in Heat-Assisted Magnetic Recording
摘要
Abstract
Heat-assisted magnetic recording (HAMR) is one of the promising ways to extend the magnetic recording area density to 1 Tb·in?2 in hard disk drives (HDDs). High temperature induced by laser heating can cause carbon overcoat (COC) oxidation. Reactive molecular dynamics (MD) simulations are performed to investigate the oxidation process of silicon-doped amorphous carbon (a-C:Si) films for HAMR application. The atomic details of the structure evolution and oxidation process are investigated, and, the oxidation mechanism of the a-C:Si film is clarified. The effect of the duration of laser irradiation on the oxidation of the a-C:Si film is investigated. The oxidation occurs during heating and the beginning of cooling process. Both volume expansion during heating process and cluster of carbon atoms during cooling process increase the rate ofsp2 carbon. Because of the decrease in the amount of unsaturated silicon atoms and low diffusion coefficient of atomic oxygen, the oxidation rate of the a-C:Si film decreases with laser irradiation cycles. The molecular oxygen is the oxidant due to surface defect of a-C:Si film. The atomic strains break the O―O bonds in Si―O―O―Si linkages and rearrange the surface oxide layers, and process the oxidation of the a-C:Si film.关键词
热辅助磁存储/硅掺杂非晶碳薄膜/氧化/ReaxFF/分子动力学模拟Key words
Heat-assisted magnetic recording/Silicon-doped amorphous carbon/Oxidation/ReaxFF/Molecular dynamics simulations分类
化学化工引用本文复制引用
刘青康,宋文平,黄其涛,张广玉,侯珍秀..热辅助存储磁盘硅掺杂非晶碳薄膜氧化的ReaxFF反应力场 分子动力学模拟[J].物理化学学报,2017,33(12):2472-2479,8.基金项目
The project was supported by the National Natural Science Foundation of China (51405103), China Post-doctoral Science Foundation (2014M551230, 2015T80335).国家自然科学基金(51405103)与中国博士后科学基金(2014M551230, 2015T80335)资助项目 （51405103）
