Molecular dynamic simulations based on a coarse-gralned, bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether （PFPE） on solid substrates. For nonfunction...Molecular dynamic simulations based on a coarse-gralned, bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether （PFPE） on solid substrates. For nonfunctional PFPE, the spreading generally exhibits a smooth profile with a precursor film. The spreading profiles on different substrates are compared, which indicate that the bead-substrate interaction has a significant effect on the spreading behaviour, especially on the formation of the precursor film. For functional PFPE, the spreading generally exhibits a complicated terraced profile. The spreading profiles with different endbeads are compared, which indicate that the endbead-substrate interaction and the endbead-endbead interaction, especially the latter, have a significant effect on the spreading behaviour.展开更多
Lubricant spreading on solid substrates has drawn considerable attention not only for the microscopic wetting theory but also for the dramatic application in head-disk interface of magnetic storage drive systems. Mole...Lubricant spreading on solid substrates has drawn considerable attention not only for the microscopic wetting theory but also for the dramatic application in head-disk interface of magnetic storage drive systems. Molecular dynamic simulation based on a coarse-grained bead-spring model has been used to study such a spreading process. The spreading profiles indicate that the hydrogen bonds among lubricant molecules and the hydrogen bonds between lubricant molecules and polar atoms of solid substrates will complicate the spreading process in a tremendous degree. The hydrogen bonds among lubricant molecules will strengthen the lubricant combination intensity, which may hinder most molecules from flowing down to the substrates and diffusing along the substrates. And the hydrogen bonds between lubricant molecules and polar atoms of solid substrates will confine the lubricant molecules around polar atoms, which may hinder the molecules from diffusing along the substrates and cause precursor film to vanish.展开更多
The growth of diamond-like carbon （DLC） films is studied using molecular dynamics simulations. The effect of impact angle on film structure is carefully studied, which shows that the transverse migration of the inci...The growth of diamond-like carbon （DLC） films is studied using molecular dynamics simulations. The effect of impact angle on film structure is carefully studied, which shows that the transverse migration of the incident atoms is the main channel of film relaxation. A transverse-migration-induced film relaxation model is presented to elucidate the process of film relaxation which advances the original model of subplantation. The process of DLC film growth on a rough surface is also investigated, as well as the evolution of microstructure and surface morphology of the film. A preferential-to-homogeneous growth mode and a smoothing of the film are observed, which are due to the transverse migration of the incident atoms.展开更多
Drag reducing and increasing mechanism on riblet surface has been studied through computational fluid dynamics(CFD).Drag reduction is achieved through the optimization of riblet geometry which would affect flow struct...Drag reducing and increasing mechanism on riblet surface has been studied through computational fluid dynamics(CFD).Drag reduction is achieved through the optimization of riblet geometry which would affect flow structure inside riblet grooves.Force and flow structure on riblet surface are analyzed and compared with those of smooth surface based on the k-εturbulence model.Drag reducing and increasing mechanism is proved to be related to microvortexes induced inside riblets which lead to Reynolds shear stress reduction significantly and is considered to be the dominant factor resulting in wall friction reduction.Simulation results also show that the pressure drag generating from the deviation of static pressure on the front and rear ends of riblets occurs and grows exponentially with Mach number,which can cause drag increasing.Furthermore,near-wall vortical structures,Reynolds shear stress and static pressure on riblet surfaces are also analyzed in detail.展开更多
基金Project supported by the National Natural Science Foundation of China （Grant No 50390060） and the State Key Development Program for Basic Research of China （Grant No 2003CB716201）.
文摘Molecular dynamic simulations based on a coarse-gralned, bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether （PFPE） on solid substrates. For nonfunctional PFPE, the spreading generally exhibits a smooth profile with a precursor film. The spreading profiles on different substrates are compared, which indicate that the bead-substrate interaction has a significant effect on the spreading behaviour, especially on the formation of the precursor film. For functional PFPE, the spreading generally exhibits a complicated terraced profile. The spreading profiles with different endbeads are compared, which indicate that the endbead-substrate interaction and the endbead-endbead interaction, especially the latter, have a significant effect on the spreading behaviour.
基金Project supported by the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No 20060003025)the Science Foundation for Post Doctoral Research from the Ministry of Science and Technology of China (Grant No 20070420017)the 111 Project (Grant No B08043) and the National Natural Science Foundation of China (Grant No 50705009)
文摘Lubricant spreading on solid substrates has drawn considerable attention not only for the microscopic wetting theory but also for the dramatic application in head-disk interface of magnetic storage drive systems. Molecular dynamic simulation based on a coarse-grained bead-spring model has been used to study such a spreading process. The spreading profiles indicate that the hydrogen bonds among lubricant molecules and the hydrogen bonds between lubricant molecules and polar atoms of solid substrates will complicate the spreading process in a tremendous degree. The hydrogen bonds among lubricant molecules will strengthen the lubricant combination intensity, which may hinder most molecules from flowing down to the substrates and diffusing along the substrates. And the hydrogen bonds between lubricant molecules and polar atoms of solid substrates will confine the lubricant molecules around polar atoms, which may hinder the molecules from diffusing along the substrates and cause precursor film to vanish.
基金Project supported by the National Natural Science Foundation of China （Grant Nos 50390060 and 50675111） and the State Key Development Program for Basic Research of China （Grant No 2003CB716201）.
文摘The growth of diamond-like carbon （DLC） films is studied using molecular dynamics simulations. The effect of impact angle on film structure is carefully studied, which shows that the transverse migration of the incident atoms is the main channel of film relaxation. A transverse-migration-induced film relaxation model is presented to elucidate the process of film relaxation which advances the original model of subplantation. The process of DLC film growth on a rough surface is also investigated, as well as the evolution of microstructure and surface morphology of the film. A preferential-to-homogeneous growth mode and a smoothing of the film are observed, which are due to the transverse migration of the incident atoms.
基金Supported by the Specialized Research Fund for the Doctoral Program of Higher Education(20130002120017)the Tribology Sciency Fund of State Key Laboratory of Tribology(SKLTKF12B16)
文摘Drag reducing and increasing mechanism on riblet surface has been studied through computational fluid dynamics(CFD).Drag reduction is achieved through the optimization of riblet geometry which would affect flow structure inside riblet grooves.Force and flow structure on riblet surface are analyzed and compared with those of smooth surface based on the k-εturbulence model.Drag reducing and increasing mechanism is proved to be related to microvortexes induced inside riblets which lead to Reynolds shear stress reduction significantly and is considered to be the dominant factor resulting in wall friction reduction.Simulation results also show that the pressure drag generating from the deviation of static pressure on the front and rear ends of riblets occurs and grows exponentially with Mach number,which can cause drag increasing.Furthermore,near-wall vortical structures,Reynolds shear stress and static pressure on riblet surfaces are also analyzed in detail.
