Design and Development of Lubricating Material Database and Research on Performance Prediction Method of Machine Learning

被引:21
作者
Jia, Dan [1 ]
Duan, Haitao [1 ]
Zhan, Shengpeng [1 ]
Jin, Yongliang [1 ]
Cheng, Bingxue [2 ]
Li, Jian [1 ]
机构
[1] Wuhan Res Inst Mat Protect, State Key Lab Special Surface Protect Mat & Appli, Wuhan, Peoples R China
[2] Tsinghua Univ, State Key Lab Tribol, Beijing, Peoples R China
基金
中国国家自然科学基金;
关键词
STABILITY;
D O I
10.1038/s41598-019-56776-2
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Long developing period and cumbersome evaluation for the lubricating materials performance seriously jeopardize the successful development and application of any database system in tribological field. Such major setback can be solved effectively by implementing approaches with high throughput calculation. However, it often involves with vast number of output files, which are computed on the basis of first principle computation, having different data format from that of their experimental counterparts. Commonly, the input, storage and management of first principle calculation files and their individually test counterparts, implementing fast query and display in the database, adding to the use of physical parameters, as predicted with the performance estimated by first principle approach, may solve such setbacks. Investigation is thus performed for establishing database website specifically for lubricating materials, which satisfies both data: (i) as calculated on the basis of first principles and (ii) as obtained by practical experiment. It further explores preliminarily the likely relationship between calculated physical parameters of lubricating oil and its respectively tribological and anti-oxidative performance as predicted by lubricant machine learning model. Success of the method facilitates in instructing the obtainment of optimal design, preparation and application for any new lubricating material so that accomplishment of high performance is possible.
引用
收藏
页数:11
相关论文
共 33 条
[21]   Machine-learning-assisted materials discovery using failed experiments [J].
Raccuglia, Paul ;
Elbert, Katherine C. ;
Adler, Philip D. F. ;
Falk, Casey ;
Wenny, Malia B. ;
Mollo, Aurelio ;
Zeller, Matthias ;
Friedler, Sorelle A. ;
Schrier, Joshua ;
Norquist, Alexander J. .
NATURE, 2016, 533 (7601) :73-+
[22]   High-Throughput Calculations of Molecular Properties in the MedeA Environment: Accuracy of PM7 in Predicting Vibrational Frequencies, Ideal Gas Entropies, Heat Capacities, and Gibbs Free Energies of Organic Molecules [J].
Rozanska, Xavier ;
Stewart, James J. P. ;
Ungerer, Philippe ;
Leblanc, Benoit ;
Freeman, Clive ;
Saxe, Paul ;
Wimmer, Erich .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2014, 59 (10) :3136-3143
[23]   Application of machine learning methods for the prediction of crystal system of cathode materials in lithium-ion batteries [J].
Shandiz, M. Attarian ;
Gauvin, R. .
COMPUTATIONAL MATERIALS SCIENCE, 2016, 117 :270-278
[24]   Stick-Slip Friction Reveals Hydrogel Lubrication Mechanisms [J].
Shoaib, Tooba ;
Heintz, Joerg ;
Lopez-Berganza, Josue A. ;
Muro-Barrios, Raymundo ;
Egner, Simon A. ;
Espinosa-Marzal, Rosa M. .
LANGMUIR, 2018, 34 (03) :756-765
[25]   Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers [J].
Sim, Jaeung ;
Yim, Haneul ;
Ko, Nakeun ;
Choi, Sang Beom ;
Oh, Youjin ;
Park, Hye Jeong ;
Park, SangYoun ;
Kim, Jaheon .
DALTON TRANSACTIONS, 2014, 43 (48) :18017-18024
[26]   Additive influence on wear and friction performance of environmentally adapted lubricants [J].
Waara, P ;
Hannu, J ;
Norrby, T ;
Byheden, Å .
TRIBOLOGY INTERNATIONAL, 2001, 34 (08) :547-556
[27]  
[王蕊 Wang Rui], 2017, [表面技术, Surface Technology], V46, P127
[28]  
[王婷婷 Wang Tingting], 2017, [摩擦学学报, Tribology], V37, P495
[29]   MatCloud, a high-throughput computational materials infrastructure: Present, future visions, and challenges [J].
Yang, Xiaoyu ;
Wang, Zongguo ;
Zhao, Xushan ;
Song, Jianlong ;
Yu, Chao ;
Zhou, Jiaxin ;
Li, Kai .
CHINESE PHYSICS B, 2018, 27 (11)
[30]   Studies of antioxidant performance of amine additives in lubricating oil using 3D-QSAR [J].
Zhan, ShengPeng ;
Duan, HaiTao ;
Hua, Meng ;
Xu, HaiPing ;
Shang, HongFei ;
Jin, YongLiang ;
Jia, Dan ;
Tu, JieSong ;
Li, Jian .
SCIENCE CHINA-TECHNOLOGICAL SCIENCES, 2017, 60 (02) :299-305