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

被引：16
|
作者：
He, Jiaqi [1 ]
Tang, Huajie
Wang, Chenglong [2 ,3 ]
机构：
[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
来源：
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY | 2023年 / 126卷
关键词：
Molecular dynamics; Friction; Wear; Lubrication; Tribochemistry; Additives; TRIBOLOGICAL PROPERTIES; CARBON NANOTUBES; RHEOLOGICAL PROPERTIES; WEAR MECHANISMS; SURFACE DAMAGE; NANOSCALE WEAR; IONIC LIQUID; BASE-STOCKS; THIN-FILM; FRICTION;
D O I：
10.1016/j.jiec.2023.06.002
中图分类号：
O6 [化学];
学科分类号：
0703 ;
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.
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页码：1 / 19
页数：19
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