Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: A review

doi:10.1016/j.jiec.2023.06.002

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	Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: A review
	He, Jiaqi 1; Tang, Huajie ; Wang, Chenglong 2,3
	2023-10-25
发表期刊	JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
ISSN	1226-086X
卷号	126 页码:1-19
摘要	As a hot topic in recent years, molecular dynamics (MD) simulation has become an effective tool in tribochemistry and lubrication investigations, which provides unique insight on dealing with these issues from atomic scale. This review paper presents an overview of recent MD simulation studies on revealing the friction laws, wear mechanism and lubrication performance of materials and lubricants, which aims to provide guidance and reference for future theoretical investigations on revealing the essence of friction, wear and lubrication. MD simulation researches upon the tribology, tribochemistry and lubrication are summarized, focusing on the field of friction and wear mechanism, nano-tribology, liquid lubricants, lubricant additives, superlubricity phenomenon, etc. Besides, the challenges and problems remain to be considered, as well as future development directions of MD simulation are briefly discussed. With the help of MD method, the obstacle to tribology research caused by insufficient experimental methods can be reduced in the future.& COPY; 2023 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.
关键词	Molecular dynamics Friction Wear Lubrication Tribochemistry Additives
DOI	10.1016/j.jiec.2023.06.002
收录类别	SCIE
语种	英语
资助项目	National Natural Science Founda-tion of China [51874036]
WOS研究方向	Chemistry ; Engineering
WOS类目	Chemistry, Multidisciplinary ; Engineering, Chemical
WOS记录号	WOS:001043611900001
出版者	ELSEVIER SCIENCE INC
原始文献类型	Review
EISSN	1876-794X
引用统计	被引频次：21[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.library.ouchn.edu.cn/handle/39V7QQFX/155777
专题	国家开放大学
通讯作者	He, Jiaqi
作者单位	1.Open Univ China, Fac Educ, Beijing 100039, Peoples R China; 2.Tsinghua Univ, State Key Lab Tribol, Beijing 100084, Peoples R China; 3.Henan Univ Engn, Sch Mech Engn, Henan 451191, Peoples R China
推荐引用方式 GB/T 7714	He, Jiaqi,Tang, Huajie,Wang, Chenglong. Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: A review[J]. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,2023,126:1-19.
APA	He, Jiaqi,Tang, Huajie,&Wang, Chenglong.(2023).Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: A review.JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,126,1-19.
MLA	He, Jiaqi,et al."Advances of molecular dynamics simulation in tribochemistry and lubrication investigations: A review".JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY 126(2023):1-19.