Xianjun Hou , Chen Chu , Hua Jiang , Weiwei Guan , Mohamed Kamal Ahmed Ali
{"title":"利用分子动力学模拟揭示纳米碳化硅增强润滑油的导热性和黏性机理","authors":"Xianjun Hou , Chen Chu , Hua Jiang , Weiwei Guan , Mohamed Kamal Ahmed Ali","doi":"10.1016/j.ijthermalsci.2025.110020","DOIUrl":null,"url":null,"abstract":"<div><div>Enhancing the heat transfer capability and understanding the rheological properties of automotive lubricants are essential for improving engine performance and durability. This study investigated the important parameters influencing the above-mentioned performance, namely the thermal conductivity and dynamic viscosity of the nanofluid (NF) based on poly-α-olefin (PAO6) and nano-silicon carbide (SiC) via experiments and molecular dynamics (MD) simulations. The fascinating novelty of this approach lies in exploring the effects of the coating layer formed on nano-SiC within the lubricant interface, as well as its influence on viscosity and the mechanisms that facilitate enhanced heat conduction between lubricant layers. The experiment and MD simulation revealed that NF exhibited shear thinning behavior and the dynamic viscosity values of SiC NF from 20 °C to 60 °C were exponentially reduced. Moreover, the thermal conductivity of NF is improved by 4.7 % and 10.5 % than that of base oils for experiemnt and simulation outcomes, which were influenced by temperatures and nano-SiC concentrations. The distribution diagram of the atom radial distribution function (RDF), based on the structural and interactional data at the molecular level, indicates that the presence of nano-SiC transforms the microstructure from a liquid phase to a nanolaminar solid state. This alteration increases the orderliness of the NF molecules and facilitates more efficient energy exchange, thereby improving their thermal conductivity and viscosity. Finally, this study assists the design of NF in accordance with specified operating requirements.</div></div>","PeriodicalId":341,"journal":{"name":"International Journal of Thermal Sciences","volume":"215 ","pages":"Article 110020"},"PeriodicalIF":4.9000,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Revealing the thermal conductivity and viscosity mechanism of lubricating oil enhanced with nano-silicon carbide using molecular dynamics simulation\",\"authors\":\"Xianjun Hou , Chen Chu , Hua Jiang , Weiwei Guan , Mohamed Kamal Ahmed Ali\",\"doi\":\"10.1016/j.ijthermalsci.2025.110020\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Enhancing the heat transfer capability and understanding the rheological properties of automotive lubricants are essential for improving engine performance and durability. This study investigated the important parameters influencing the above-mentioned performance, namely the thermal conductivity and dynamic viscosity of the nanofluid (NF) based on poly-α-olefin (PAO6) and nano-silicon carbide (SiC) via experiments and molecular dynamics (MD) simulations. The fascinating novelty of this approach lies in exploring the effects of the coating layer formed on nano-SiC within the lubricant interface, as well as its influence on viscosity and the mechanisms that facilitate enhanced heat conduction between lubricant layers. The experiment and MD simulation revealed that NF exhibited shear thinning behavior and the dynamic viscosity values of SiC NF from 20 °C to 60 °C were exponentially reduced. Moreover, the thermal conductivity of NF is improved by 4.7 % and 10.5 % than that of base oils for experiemnt and simulation outcomes, which were influenced by temperatures and nano-SiC concentrations. The distribution diagram of the atom radial distribution function (RDF), based on the structural and interactional data at the molecular level, indicates that the presence of nano-SiC transforms the microstructure from a liquid phase to a nanolaminar solid state. This alteration increases the orderliness of the NF molecules and facilitates more efficient energy exchange, thereby improving their thermal conductivity and viscosity. Finally, this study assists the design of NF in accordance with specified operating requirements.</div></div>\",\"PeriodicalId\":341,\"journal\":{\"name\":\"International Journal of Thermal Sciences\",\"volume\":\"215 \",\"pages\":\"Article 110020\"},\"PeriodicalIF\":4.9000,\"publicationDate\":\"2025-05-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Thermal Sciences\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1290072925003436\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Thermal Sciences","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1290072925003436","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}
Revealing the thermal conductivity and viscosity mechanism of lubricating oil enhanced with nano-silicon carbide using molecular dynamics simulation
Enhancing the heat transfer capability and understanding the rheological properties of automotive lubricants are essential for improving engine performance and durability. This study investigated the important parameters influencing the above-mentioned performance, namely the thermal conductivity and dynamic viscosity of the nanofluid (NF) based on poly-α-olefin (PAO6) and nano-silicon carbide (SiC) via experiments and molecular dynamics (MD) simulations. The fascinating novelty of this approach lies in exploring the effects of the coating layer formed on nano-SiC within the lubricant interface, as well as its influence on viscosity and the mechanisms that facilitate enhanced heat conduction between lubricant layers. The experiment and MD simulation revealed that NF exhibited shear thinning behavior and the dynamic viscosity values of SiC NF from 20 °C to 60 °C were exponentially reduced. Moreover, the thermal conductivity of NF is improved by 4.7 % and 10.5 % than that of base oils for experiemnt and simulation outcomes, which were influenced by temperatures and nano-SiC concentrations. The distribution diagram of the atom radial distribution function (RDF), based on the structural and interactional data at the molecular level, indicates that the presence of nano-SiC transforms the microstructure from a liquid phase to a nanolaminar solid state. This alteration increases the orderliness of the NF molecules and facilitates more efficient energy exchange, thereby improving their thermal conductivity and viscosity. Finally, this study assists the design of NF in accordance with specified operating requirements.
期刊介绍:
The International Journal of Thermal Sciences is a journal devoted to the publication of fundamental studies on the physics of transfer processes in general, with an emphasis on thermal aspects and also applied research on various processes, energy systems and the environment. Articles are published in English and French, and are subject to peer review.
The fundamental subjects considered within the scope of the journal are:
* Heat and relevant mass transfer at all scales (nano, micro and macro) and in all types of material (heterogeneous, composites, biological,...) and fluid flow
* Forced, natural or mixed convection in reactive or non-reactive media
* Single or multi–phase fluid flow with or without phase change
* Near–and far–field radiative heat transfer
* Combined modes of heat transfer in complex systems (for example, plasmas, biological, geological,...)
* Multiscale modelling
The applied research topics include:
* Heat exchangers, heat pipes, cooling processes
* Transport phenomena taking place in industrial processes (chemical, food and agricultural, metallurgical, space and aeronautical, automobile industries)
* Nano–and micro–technology for energy, space, biosystems and devices
* Heat transport analysis in advanced systems
* Impact of energy–related processes on environment, and emerging energy systems
The study of thermophysical properties of materials and fluids, thermal measurement techniques, inverse methods, and the developments of experimental methods are within the scope of the International Journal of Thermal Sciences which also covers the modelling, and numerical methods applied to thermal transfer.