TY - JOUR
T1 - Effects of pressure and velocity on the interface friction behavior of diamond utilizing ReaxFF simulations
AU - Yuan, Song
AU - Guo, Xiaoguang
AU - Mao, Qian
AU - Guo, Jiang
AU - van Duin, Adri C.T.
AU - Jin, Zhuji
AU - Kang, Renke
AU - Guo, Dongming
N1 - Funding Information:
The authors greatly appreciate the financial support of the Fundamental Research Funds for the Central Universities ( DUT20LAB107 ), Open Research Fund Program of the State Key Laboratory of Digital Manufacturing Equipment and Technology, Huazhong University of Science and Technology ( DMETKF2020013 ), and Science Fund for Creative Research Groups (no. 51621064 ). The authors acknowledge Beijng PARATERA Tech CO.,Ltd. for providing HPC resources that have contributed to the research results reported within this paper.
Funding Information:
The authors greatly appreciate the financial support of the Fundamental Research Funds for the Central Universities (DUT20LAB107), Open Research Fund Program of the State Key Laboratory of Digital Manufacturing Equipment and Technology, Huazhong University of Science and Technology (DMETKF2020013), and Science Fund for Creative Research Groups (no. 51621064). The authors acknowledge Beijng PARATERA Tech CO.Ltd. for providing HPC resources that have contributed to the research results reported within this paper.
Publisher Copyright:
© 2020
PY - 2021/2/1
Y1 - 2021/2/1
N2 - The effects of pressure and sliding velocity on the interface friction behavior during the chemical mechanical polishing process of diamond were investigated utilizing ReaxFF molecular dynamics, with a focus on the subsurface damage, friction force, and atom removal. Simulation results indicate that in the initial stage, the friction force depends on the number of interfacial C-C bonds and C-O-C bonds and shows a positive correlation with the pressure and sliding velocity. Later on, the friction force relies on the number of amorphous carbon atoms, and exhibits a negative correlation with the pressure and sliding velocity. Under low pressure, the carbon atoms are mainly removed along with the formation of C-C single bonds. In contrast, with increasing pressure, the carbon atoms are removed together with the formation of more C-C single and multiple bonds. This accounts for more extensive atom removal, followed by the more severe wear, as well as deeper subsurface damage. This study systematically evaluates the underlying influence mechanism of pressure and sliding velocity on the interface friction behavior from atomistic scale, thus elucidating technological parameters for ultra-precision and low-damage machining of diamond.
AB - The effects of pressure and sliding velocity on the interface friction behavior during the chemical mechanical polishing process of diamond were investigated utilizing ReaxFF molecular dynamics, with a focus on the subsurface damage, friction force, and atom removal. Simulation results indicate that in the initial stage, the friction force depends on the number of interfacial C-C bonds and C-O-C bonds and shows a positive correlation with the pressure and sliding velocity. Later on, the friction force relies on the number of amorphous carbon atoms, and exhibits a negative correlation with the pressure and sliding velocity. Under low pressure, the carbon atoms are mainly removed along with the formation of C-C single bonds. In contrast, with increasing pressure, the carbon atoms are removed together with the formation of more C-C single and multiple bonds. This accounts for more extensive atom removal, followed by the more severe wear, as well as deeper subsurface damage. This study systematically evaluates the underlying influence mechanism of pressure and sliding velocity on the interface friction behavior from atomistic scale, thus elucidating technological parameters for ultra-precision and low-damage machining of diamond.
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U2 - 10.1016/j.ijmecsci.2020.106096
DO - 10.1016/j.ijmecsci.2020.106096
M3 - Article
AN - SCOPUS:85092079381
VL - 191
JO - International Journal of Mechanical Sciences
JF - International Journal of Mechanical Sciences
SN - 0020-7403
M1 - 106096
ER -