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个人信息Personal Information
教授
博士生导师
硕士生导师
任职 : 国际磨粒技术学会（International Committee of Abrasive Technology, ICAT）委员，中国机械工程学会极端制造分会副主任、生产工程分会常务委员、微纳米制造技术分会常务委员，中国机械工程学会生产工程分会磨粒加工技术专业委员会副主任、切削加工专业委员会常委委员、精密工程与微纳技术专业委员会常委委员，中国机械工程学会特种加工分会超声加工技术委员会副主任，中国机械工程学会摩擦学分会微纳制造摩擦学专业委员会常务委员，中国机械工业金属切削刀具协会切削先进制造技术研究会常务理事、对外学术交流工作委员会副主任、切削先进制造技术研究会自动化加工技术与系统委员会副主任。
性别：男
毕业院校：西北工业大学
学位：博士
所在单位：机械工程学院
学科：机械制造及其自动化. 机械电子工程. 航空宇航制造工程
办公地点：机械工程学院7191
电子邮箱：kangrk@dlut.edu.cn
Atomistic mechanisms of chemical mechanical polishing of diamond (100) in aqueous H2O2/pure H2O: Molecular dynamics simulations using reactive force field (ReaxFF)
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论文类型：期刊论文
发表时间：2019-02-01
发表刊物：COMPUTATIONAL MATERIALS SCIENCE
收录刊物：SCIE
卷号：157
页面范围：99-106
ISSN号：0927-0256
关键字：Molecular dynamics; ReaxFF; CMP; Diamond; Mechanochemistry
摘要：Diamond CMP mechanisms have been widely investigated using the CMP experimental methods. However, the experiment could not observe the details of the removal process, it could not explain the mechanism of removal. The atom removal mechanism of chemical mechanical polishing (CMP) process on the diamond surface polished with a silica abrasive in aqueous H2O2/pure H2O was elucidated using ReaxFF molecular dynamics (MD) simulations. The research shows that the oxidation of diamond surface plays a dual role in the removal of C atoms. First, the diamond surface absorbs -OH, O or H to form C-O, C-OH or C-H bonds. Then, the C atoms on the oxidized diamond surface are removed under the mechanical action of abrasive in aqueous H2O2. Three types of C atom removal pathway are detected in the CMP process: it can be removed in the form of CO, CO2 or C chain and C atom removal occurs on the first layer. However, no C atoms are removed in pure H2O. The friction in pure H2O is less than that in aqueous H2O2 due to the lubrication of pure H2O. In addition, comparing the different pressures applied to the abrasive, it is found that the greater the pressure applied, the more -OH adsorbed on the diamond surface so that the more C atoms are removed. This work shows that the removal of C atoms is the result of the combination of chemical and mechanical effects, which helps understand the removal process of C atoms at the atomic scale in the CMP process and provide an effective method to choose the CMP slurry.