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A combined multiscale modeling and experimental study on surface modification of high-volume micro-nanoparticles with atomic accuracy

引用

International Journal of Extreme Manufacturing 2022年第2期4卷 129-144页

作者： Zoushuang Li Junren Xiang Xiao Liu Xiaobo Li Lijie Li Bin Shan Rong Chen State Key Laboratory of Digital Manufacturing Equipment and Technology School of Mechanical Science and EngineeringHuazhong University of Science and Technology1037 Luoyu RoadWuhanHubei 430074People’s Republic of China School of Energy and Power Engineering Huazhong University of Science and TechnologyWuhanHubei 430074People’s Republic of China College of Engineering Swansea UniversitySA18EN SwanseaUnited Kingdom State Key Laboratory of Material Processing and Die and Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhanHubei 430074People’s Republic of China Wuhan University of Technology WuhanHubei 430063People’s Republic of China

Surface modification for micro-nanoparticles at the atomic and close-to-atomic scales is of great importance to enhance their performance in various applications,including high-volume battery,persistent luminescence,*** bed atomic layer deposition(FB-ALD)is a promising atomic-scale manufacturing technology that offers ultrathin films on large amounts of particulate ***,nanoparticles tend to agglomerate due to the strong cohesive forces,which is much unfavorable to the film conformality and also hinders their real *** this paper,the particle fluidization process in an ultrasonic vibration-assisted FB-ALD reactor is numerically investigated from micro-scale to macro-scale through the multiscale computational fluid dynamics and discrete element method(CFD-DEM)modeling with experimental *** vibration amplitudes and frequencies are investigated in terms of their effects on the fluid dynamics,distribution of particle velocity and solid volume fraction,as well as the size of *** show that the fluid turbulent kinetic energy,which is the key power source for the particles to obtain the kinetic energy for overcoming the interparticle agglomeration forces,can be strengthened obviously by the ultrasonic ***,the application of ultrasonic vibration is found to reduce the mean agglomerate size in the *** is bound to facilitate the heat transfer and precursor diffusion in the entire FB-ALD reactor and the agglomerates,which can largely shorten the coating time and improve the film conformality as well as precursor *** simulation results also agree well with our battery experimental results,verifying the validity of the multiscale CFD-DEM *** work has provided momentous guidance to the mass manufacturing of atomic-scale particle coating from lab-scale to industrial applications.

关键词： atomic scale manufacturing fluidized bed atomic layer deposition(FB-ALD) computational fluid dynamics and discrete element method(CFD-DEM) nanoparticle agglomerates ultrasonic vibration

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