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Droplet impact on wetted structured surfaces 被引量:1
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作者 M.MOHASAN A.B.AQEEL +2 位作者 Huiling DUAN Pengyu LYU Yantao YANG 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2022年第3期437-446,共10页
In this study,we numerically investigate the droplet impact onto a thin liquid film deposited on a structured surface with square pillars and cavities.The time evolution of crown geometry is strongly affected by the s... In this study,we numerically investigate the droplet impact onto a thin liquid film deposited on a structured surface with square pillars and cavities.The time evolution of crown geometry is strongly affected by the surface structure.When the thickness of the liquid film is larger than the structure height,the expanding speed of the crown base radius is independent of the structure width.However,if the liquid film thickness is equal to the structure height,the crown base expands slower as the structure width increases.Surface structures have strong effects on the crown height and radius,and can prevent ejected filament from breaking into satellite droplets for certain cases.For the liquid film with the thickness equal to the pillar height,both the crown height and the radius exhibit non-monotonic behaviors as the pillar width increases.There exists one pillar width which produces the smallest crown height and the largest crown radius. 展开更多
关键词 droplet impact structured surface liquid film crown formation
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Tuning the surface electronic structure of noble metal aerogels to promote the electrocatalytic oxygen reduction
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作者 Hongxing Yuan Wei Gao +2 位作者 Xinhao Wan Jianqi Ye Dan Wen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期557-564,I0013,共9页
The sluggish kinetics of the oxygen reduction reaction(ORR)is the bottleneck for various electrochemical energy conversion devices.Regulating the electronic structure of electrocatalysts by ligands has received partic... The sluggish kinetics of the oxygen reduction reaction(ORR)is the bottleneck for various electrochemical energy conversion devices.Regulating the electronic structure of electrocatalysts by ligands has received particular attention in deriving valid ORR electrocatalysts.Here,the surface electronic structure of Ptbased noble metal aerogels(NMAs)was modulated by various organic ligands,among which the electron-withdrawing ligand of 4-methylphenylene effectively boosted the ORR electrocatalysis.Theoretical calculations suggested the smaller energy barrier for the transformation of O^(*) to OH^(*) and downshift the d-band center of Pt due to the interaction between 4-methylphenylene and the surface metals,thus enhancing the ORR intrinsic activity.Both Pt3Ni and Pt Pd aerogels with 4-methylphenylene decoration performed significant enhancement in ORR activity and durability in different media.Remarkably,the 4-methylphenylene modified Pt Pd aerogel exhibited the higher halfwave potential of 0.952 V and the mass activity of 10.2 times of commercial Pt/C.This work explained the effect of electronic structure on ORR electrocatalytic properties and would promote functionalized NMAs as efficient ORR electrocatalysts. 展开更多
关键词 Noble metal aerogels surface electronic structure ORR ELECTROCATALYST Organic ligands
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Ultrafast dynamics of femtosecond laser-induced high spatial frequency periodic structures on silicon surfaces
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作者 Ruozhong Han Yuchan Zhang +6 位作者 Qilin Jiang Long Chen Kaiqiang Cao Shian Zhang Donghai Feng Zhenrong Sun Tianqing Jia 《Opto-Electronic Science》 2024年第3期33-46,共14页
Femtosecond laser-induced periodic surface structures(LIPSS)have been extensively studied over the past few decades.In particular,the period and groove width of high-spatial-frequency LIPSS(HSFL)is much smaller than t... Femtosecond laser-induced periodic surface structures(LIPSS)have been extensively studied over the past few decades.In particular,the period and groove width of high-spatial-frequency LIPSS(HSFL)is much smaller than the diffraction limit,making it a useful method for efficient nanomanufacturing.However,compared with the low-spatial-frequency LIPSS(LSFL),the structure size of the HSFL is smaller,and it is more easily submerged.Therefore,the formation mechanism of HSFL is complex and has always been a research hotspot in this field.In this study,regular LSFL with a period of 760 nm was fabricated in advance on a silicon surface with two-beam interference using an 800 nm,50 fs femtosecond laser.The ultrafast dynamics of HSFL formation on the silicon surface of prefabricated LSFL under single femtosecond laser pulse irradiation were observed and analyzed for the first time using collinear pump-probe imaging method.In general,the evolution of the surface structure undergoes five sequential stages:the LSFL begins to split,becomes uniform HSFL,degenerates into an irregular LSFL,undergoes secondary splitting into a weakly uniform HSFL,and evolves into an irregular LSFL or is submerged.The results indicate that the local enhancement of the submerged nanocavity,or the nanoplasma,in the prefabricated LSFL ridge led to the splitting of the LSFL,and the thermodynamic effect drove the homogenization of the splitting LSFL,which evolved into HSFL. 展开更多
关键词 laser-induced periodic surface structures(LIPSS) local field enhancement collinear pump-probe imaging silicon high spatial frequency periodic structures
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Two-dimensional laser-induced periodic surface structures formed on crystalline silicon by GHz burst mode femtosecond laser pulses 被引量:1
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作者 Shota Kawabata Shi Bai +2 位作者 Kotaro Obata Godai Miyaji Koji Sugioka 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2023年第1期212-220,共9页
Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that canno... Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that cannot be obtained by the conventional irradiation scheme of femtosecond laser pulses(single-pulse mode).However,most studies using the GHz burst mode femtosecond laser pulses focus on ablation of materials to achieve high-efficiency and high-quality material removal.In this study,we explore the ability of the GHz burst mode femtosecond laser processing to form laser-induced periodic surface structures(LIPSS)on silicon.It is well known that the direction of LIPSS formed by the single-pulse mode with linearly polarized laser pulses is typically perpendicular to the laser polarization direction.In contrast,we find that the GHz burst mode femtosecond laser(wavelength:1030 nm,intra-pulse duration:220 fs,intra-pulse interval time(intra-pulse repetition rate):205 ps(4.88 GHz),burst pulse repetition rate:200 kHz)creates unique two-dimensional(2D)LIPSS.We regard the formation mechanism of 2D LIPSS as the synergetic contribution of the electromagnetic mechanism and the hydrodynamic mechanism.Specifically,generation of hot spots with highly enhanced electric fields by the localized surface plasmon resonance of subsequent pulses in the bursts within the nanogrooves of one-dimensional LIPSS formed by the preceding pulses creates 2D LIPSS.Additionally,hydrodynamic instability including convection flow determines the final structure of 2D LIPSS. 展开更多
关键词 GHz burst laser-induced periodic surface structures(LIPSS) surface nanostructuring 2D nanostructures
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Laser-induced periodic surface structured electrodes with 45% energy saving in electrochemical fuel generation through field localization
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作者 Chaudry Sajed Saraj Subhash C.Singh +3 位作者 Gopal Verma Rahul A Rajan Wei Li Chunlei Guo 《Opto-Electronic Advances》 SCIE EI CAS 2022年第11期29-44,共16页
Electrochemical oxidation/reduction of radicals is a green and environmentally friendly approach to generating fuels.These reactions,however,suffer from sluggish kinetics due to a low local concentration of radicals a... Electrochemical oxidation/reduction of radicals is a green and environmentally friendly approach to generating fuels.These reactions,however,suffer from sluggish kinetics due to a low local concentration of radicals around the electrocatalyst.A large applied electrode potential can enhance the fuel generation efficiency via enhancing the radical concentration around the electrocatalyst sites,but this comes at the cost of electricity.Here,we report about a~45%saving in energy to achieve an electrochemical hydrogen generation rate of 3×10^(16) molecules cm^(–2)s^(–1)(current density:10 mA/cm^(2))through localized electric field-induced enhancement in the reagent concentration(LEFIRC)at laser-induced periodic surface structured(LIPSS)electrodes.The finite element model is used to simulate the spatial distribution of the electric field to understand the effects of LIPSS geometric parameters in field localization.When the LIPSS patterned electrodes are used as substrates to support Pt/C and RuO_(2) electrocatalysts,the η_(10) overpotentials for HER and OER are decreased by 40.4 and 25%,respectively.Moreover,the capability of the LIPSS-patterned electrodes to operate at significantly reduced energy is also demonstrated in a range of electrolytes,including alkaline,acidic,neutral,and seawater.Importantly,when two LIPSS patterned electrodes were assembled as the anode and cathode into a cell,it requires 330 mVs of lower electric potential with enhanced stability over a similar cell made of pristine electrodes to drive a current density of 10 mA/cm^(2).This work demonstrates a physical and versatile approach of electrode surface patterning to boost electrocatalytic fuel generation performance and can be applied to any metal and semiconductor catalysts for a range of electrochemical reactions. 展开更多
关键词 electric field localization hotspot formation laser-induced periodic surface structures electrochemical fuel generation overall water splitting
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Propagation of liquid surface waves over finite graphene structured arrays of cylinders
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作者 Xuemei Liu,1,2 Yong Wei,1 Sheng Li,1 Yousheng Xu,1,Detang Lu,3 and Boming Yu 4 1) Department of Physics,Zhejiang Normal University,Jinhua 321004,Zhejiang,China 2) Hangzhou No.14 Middle School,Hangzhou 310006,China 3) Department of Modern Mechanics,University of Science and Technology of China,Hefei 230027,China 4) School of Physics,Huazhong University of Science and Technology,Wuahn 430074,China 《Theoretical & Applied Mechanics Letters》 CAS 2011年第5期73-76,共4页
Based on the multiple scattering method,this paper investigates a benchmark problem of the propagation of liquid surface waves over finite graphene (or honeycomb) structured arrays of cylinders.Comparing the graphene ... Based on the multiple scattering method,this paper investigates a benchmark problem of the propagation of liquid surface waves over finite graphene (or honeycomb) structured arrays of cylinders.Comparing the graphene structured array with the square structured and with triangle structured arrays,it finds that the finite graphene structure can produce more complete band gaps than the other finite structures,and the finite graphene structure has less localized ability than the other finite structures. 展开更多
关键词 propagation liquid surface wave graphene structured array multiple scattering method
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Symmetry-breaking of LiMn_(6) hexatomic-ring in grain surface of Li_(2)MnO_(3)
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作者 Lihang Wang Shu Zhao +1 位作者 Boya Wang Haijun Yu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第6期110-117,I0004,共9页
LiMn_(6) hexatomic-rings act as functional units in Li-rich layered oxides(LLOs),which determine the capacity,voltage,and structural stability of LLOs.However,the symmetry of the LiMn_(6) hexatomic-ring is always brok... LiMn_(6) hexatomic-rings act as functional units in Li-rich layered oxides(LLOs),which determine the capacity,voltage,and structural stability of LLOs.However,the symmetry of the LiMn_(6) hexatomic-ring is always broken,especially in the grain surface of LLOs,which will greatly affect its electrochemical performance.Herein,the symmetry-breaking of LiMn_(6) hexatomic-ring in the grain surface of Li_(2)MnO_(3) was studied,and their effect on charge compensation mechanism and structure evolution behavior was thoroughly investigated.The results show that the electrochemical activity of the symmetry-broken LiMn_(6) hexatomic-ring is higher than that of the unbroken LiMn_(6),and the former is more favorable for spinelization on the grain surface.Furthermore,the exposure proportion of crystallographic planes with different symmetry-broken LiMn_(6) hexatomic-ring has also been discussed,which can be adjusted by changing the partial pressure of oxygen.The in-depth understanding of the symmetry-breaking of LiMn_(6) hexatomic-ring will provide more targeted strategies for designing high-performance LLOs cathodes for lithium-ion batteries. 展开更多
关键词 Li-rich layered oxides LiMn_(6)functional unit SYMMETRY-BREAKING surface structure Density functional theory
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Laser cleaning of steel structure surface for paint removal and repaint adhesion 被引量:24
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作者 Xiaoguang Li Tingting Huang +3 位作者 Ang Wei Chong Rui Zhou Yoo Sang Choo Minghui Hong 《光电工程》 CAS CSCD 北大核心 2017年第3期340-344,共5页
Paint removal from steel structure is executed for shipyards of marine and offshore engineering.Due to environmental unfriendliness and unhealthy drawbacks of sand blasting technique, laser ablation technique is propo... Paint removal from steel structure is executed for shipyards of marine and offshore engineering.Due to environmental unfriendliness and unhealthy drawbacks of sand blasting technique, laser ablation technique is proposed as a substituting method.By absorbing high energy of the 1064 nm pulsed laser, the paint is vaporized quickly.The ablated debris is then collected by using a suction pump.Initial metal surface of the steel is exposed when laser beam irradiates perpendicularly and scans over it.The cleaned surface fulfills the requirements of surface preparation standards ISO 8501 of SA2.The adhesion is further characterized with pull-off test after carrying out painting with Jotamastic 87 aluminum paint.The repainting can be embedded onto the laser cleaned surface to bond much more tightly.The excellent adhesion strength of 20 MPa between repainted coating and the substrate is achieved, which is higher than what is required by shipyards applications. 展开更多
关键词 LASER steel structure surface paint removal repainting adhesion
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Large-area straight,regular periodic surface structures produced on fused silica by the interference of two femtosecond laser beams through cylindrical lens 被引量:8
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作者 Long Chen Kaiqiang Cao +5 位作者 Yanli Li Jukun Liu Shian Zhang Donghai Feng Zhenrong Sun Tianqing Jia 《Opto-Electronic Advances》 SCIE EI 2021年第12期34-42,共9页
Inhomogeneity and low efficiency are two important factors that limit the application of laser-induced periodic surface structures(LIPSSs),especially on glass surfaces.In this study,two-beam interference(TBI)of femtos... Inhomogeneity and low efficiency are two important factors that limit the application of laser-induced periodic surface structures(LIPSSs),especially on glass surfaces.In this study,two-beam interference(TBI)of femtosecond lasers was used to produce large-area straight LIPSSs on fused silica using cylindrical lenses.Compared with those produced us-ing a single circular or cylindrical lens,the LIPSSs produced by TBI are much straighter and more regular.Depending on the laser fluence and scanning velocity,LIPSSs with grating-like or spaced LIPSSs are produced on the fused silica sur-face.Their structural colors are blue,green,and red,and only green and red,respectively.Grating-like LIPSS patterns oriented in different directions are obtained and exhibit bright and vivid colors,indicating potential applications in surface coloring and anti-counterfeiting logos. 展开更多
关键词 laser-induced periodic surface structures two-beam interference structural coloring fused silica cylindrical lens
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Experimental Study on Wear Performance and Oil Film Characteristics of Surface Textured Cylinder Liner in Marine Diesel Engine 被引量:5
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作者 Zhi-Wei Guo Cheng-Qing Yuan +1 位作者 Xiu-Qin Bai Xin-Ping Yan 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2018年第3期158-167,共10页
It is of a vital importance to reduce the frictional losses in marine diesel engines. Advanced surface textures have provided an e ective solution to friction performance of rubbing pairs due to the rapid development ... It is of a vital importance to reduce the frictional losses in marine diesel engines. Advanced surface textures have provided an e ective solution to friction performance of rubbing pairs due to the rapid development of surface engineering techniques. However,the mechanisms through which textured patterns and texturing methods prove beneficial remains unclear. To address this issue,the tribological system of the cylinder liner?piston ring(CLPR) is investigated in this work. Two types of surface textures(Micro concave,Micro V?groove) are processed on the cylinder specimen using di erent processing methods. Comparative study on the friction coe cients,worn surface texture features and oil film characteristics are performed. The results demonstrate that the processing method of surface texture a ect the performance of the CLPR pairs under the specific testing conditions. In addition the micro V?groove processed by CNCPM is more favorable for improving the wear performances at the low load,while the micro?con?cave processed by CE is more favorable for improving the wear performances at the high load. These findings are in helping to understand the e ect of surface texture on wear performance of CLPR. 展开更多
关键词 Cylinder liner?piston ring(CLPR) surface texture structure Frictional and wear characteristic Oil film characteristic
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Surface Texture Analysis after Hydrostatic Burnishing on X38CrMoV5-1 Steel 被引量:2
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作者 Slawomir Swirad 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2019年第6期164-173,共10页
Ball burnishing is a plastic deformation process used as a surface smoothing and surface improvement finishing treatment after turning or milling processes. This process changes the surface stereometrics of the previo... Ball burnishing is a plastic deformation process used as a surface smoothing and surface improvement finishing treatment after turning or milling processes. This process changes the surface stereometrics of the previously machining surface. Burnishing with hydrostatic tools can be easily and effectively used on both conventional and Computer Numeric Control(CNC) machines. The existing research of the burnishing process mainly focuses on the functional surface characterization, for example, surface roughness, wear resistance, surface layer hardness, etc. There is a lack of references reporting a detailed analysis of 3D parameters calculation with a mathematical model to evaluate the results of the ball burnishing. This paper presents the effect of ball burnishing process parameters with hydrostatic tools on the resulting surface structure geometry. The surface topography parameters were calculated using the Taly Map software. Studies were conducted based on Hartley’s static, determined plan. Such a plan can be built on a hypersphere or hypercube. In this work, a hypercube was used. In the case of Hartley’s plan makes it possible to define the regression equation in the form of a polynomial of the second degree. The input process parameters considered in this study include the burnishing rate, applied pressure, and line-to-line pitch. The significant influence of these parameters was confirmed and described as a mathematical power model. The results also showed a positive effect of hydrostatic burnishing on the roughness and geometric structure of the surface. 展开更多
关键词 Ball burnishing Hydrostatic burnishing surface structure
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Surface and Texture Properties of Tb-Doped Ceria-Zirconia Solid Solution Prepared by Sol-Gel Method 被引量:6
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作者 樊国栋 冯长根 张昭 《Journal of Rare Earths》 SCIE EI CAS CSCD 2007年第1期42-47,共6页
The three-way catalysts (TWCs) promoters Ce0.6Zr0.4- x TbxO2-y were prepared by sol-gel method. BET surface areas analysis indicated that an increase of the dopant Tb content from x = 0.05 to x = 0.15 favors an incr... The three-way catalysts (TWCs) promoters Ce0.6Zr0.4- x TbxO2-y were prepared by sol-gel method. BET surface areas analysis indicated that an increase of the dopant Tb content from x = 0.05 to x = 0.15 favors an increase of surface area from 66.8 to 80.4 m^2· g^-1 compared with the undoped sample Ce0 .6oZr0.40O2 65.1 m^2·g^- 1 after calcination at 650℃. Transmission electron microscopy (TEM) observation indicated that the doped samples have a higher thermal stability. The XRD and Raman spectra confirmed that the Ce0.6Zr0.4-xTbxO2-y cubic solid solution is formed. XPS analysis revealed that Ce and Tb mainly existed in the form of Ce^4+ and Tb^3 + , and Zr existed in the form of Zr^4+ on the surface of the samples. The doped samples were homogenous in composition ; the introduction of Tb into the CeO2-ZrO2 promoters resuited in the formation of a solid solution, and the concentration of surface lattice oxygen was increased. 展开更多
关键词 Ce0.6Zr0.4 - xTbxO2 - y solid solution three-way catalysts sol-gel method surface and texture structure rare earths
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The Influence of Various Structure Surface Boundary Conditions on Pressure Characteristics of Underwater Explosion 被引量:1
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作者 Yezhi Qin Ying Wang +1 位作者 Zhikai Wang Xiongliang Yao 《Computer Modeling in Engineering & Sciences》 SCIE EI 2021年第3期1093-1123,共31页
The shock wave of the underwater explosion can cause severe damage to the ship structure.The propagation characteristics of shock waves near the structure surface are complex,involving lots of complex phenomena such a... The shock wave of the underwater explosion can cause severe damage to the ship structure.The propagation characteristics of shock waves near the structure surface are complex,involving lots of complex phenomena such as reflection,transmission,diffraction,and cavitation.However,different structure surface boundaries have a significant effect on the propagation characteristics of pressure.This paper focuses on investigating the behavior of shock wave propagation and cavitation from underwater explosions near various structure surfaces.A coupled Runge–Kutta discontinuous Galerkin(RKDG)and finite elementmethod(FEM)is utilized to solve the problem of the complex waves of fluids and structure dynamic response,considering the fluid compressibility.The level set(LS)method and the ghost fluid(GF)method are combined to capture the moving interface and deal with the stability of the coupling between the shock wave and structure surface.Besides,a cut-off cavitation model is introduced to the RKDG method.The validation of the numerical calculation model is discussed by comparing it with the known solution to verify the numerical solutions.Then,crucial kinds of structure surface boundary conditions include shallow-water single layer elasticity plate,double-layer crevasse elasticity plate,single layer curved elasticity plate,and double-layer curved elasticity plates are analyzed and discussed.The results and analysis can provide references for underwater explosion pressure characteristics,the impacting response of different boundary structures,and designing structures. 展开更多
关键词 Underwater explosion pressure characteristics structure surface CAVITATION RKDG-FEM
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Preparation of Material Surface Structure Similarto Hydrophobic Structure of Lotus Leaf 被引量:1
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作者 CAO Feng GUAN Zisheng LI Dongxu 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2008年第4期513-517,共5页
Nano/micro replication, a technique widely applied in the microelectronics field, was introduced to prepare the hydrophobic bionics microstructure on material surface. Poly(vinyl alcohol) (PVA) and polystyrene (P... Nano/micro replication, a technique widely applied in the microelectronics field, was introduced to prepare the hydrophobic bionics microstructure on material surface. Poly(vinyl alcohol) (PVA) and polystyrene (PS) moulds of the mastoid microstructure on lotus leaf surface were prepared respectively by the nano/micro replication technology. And poly(dimethylsiloxane) (PDMS) replicas with the mastoid-like microstructure were prepared from these two kinds of polymer moulds. Scanning electronic microscope (SEM) was employed to investigate the morphology and microstructures on moulds and replicas. Both the static and dynamic contact angles between water droplet and PDMS replicas' surface were also measured. As a result, similar microstructure can be observed clearly on the surface of PDMS replicas and the static contact angle on PDMS replicas was enhanced dramatically by the existence of these microstructures. 展开更多
关键词 HYDROPHOBIC BIONICS surface structure nano/micro replication
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Irradiation effects of CO_2 laser parameters on surface morphology of fused silica 被引量:1
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作者 向霞 郑万国 +6 位作者 袁晓东 戴威 蒋勇 李熙斌 王海军 吕海兵 祖小涛 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第4期350-355,共6页
To understand the surface morphology evolution of fused silica induced by 10.6μm CO2 laser irradiation at different parameters, this paper reports that optical microscopy, profilometry, and hydrophilicity tests are u... To understand the surface morphology evolution of fused silica induced by 10.6μm CO2 laser irradiation at different parameters, this paper reports that optical microscopy, profilometry, and hydrophilicity tests are utilized to characterize the surface structure and roughness of the laser irradiated area. The results show that three typical surface morphologies and two typical hydrophilicity test images are observed at different laser powers and pulse durations. The correlations between surface temperature and surface morphology as well as hydrophilicity behaviours are presented. The different hydrophilicity behaviours are related to surface structures of the laser-induced crater and thermal diffusion area. The thermal diffusion length monotonously increases with increasing laser power and pulse duration. The crater width is almost determined by the laser beam size. The crater depth is more sensitive to the laser power and pulse duration than the crater width. 展开更多
关键词 CO2 laser irradiation fused silica surface structure HYDROPHILICITY
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Generalized model for laser-induced surface structure in metallic glass 被引量:1
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作者 叶林茂 武振伟 +2 位作者 刘凯欣 汤秀章 熊向明 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第6期557-562,共6页
The details of the special three-dimensional micro-nano scale ripples with a period of hundreds of microns on the surfaces of a Zr-based and a La-based metallic glass irradiated separately by single laser pulse are in... The details of the special three-dimensional micro-nano scale ripples with a period of hundreds of microns on the surfaces of a Zr-based and a La-based metallic glass irradiated separately by single laser pulse are investigated.We use the small-amplitude capillary wave theory to unveil the ripple formation mechanism through considering each of the molten metallic glasses as an incompressible viscous fluid.A generalized model is presented to describe the special morphology,which fits the experimental result well.It is also revealed that the viscosity brings about the biggest effect on the monotone decreasing nature of the amplitude and the wavelength of the surface ripples.The greater the viscosity is,the shorter the amplitude and the wavelength are. 展开更多
关键词 metallic glasses pulse laser processing micro-nano scale surface structure VISCOSITY
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First-principles study of the (001) surface of cubic PbHfO_3 and BaHfO_3 被引量:1
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作者 倪广鑫 王渊旭 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第3期1194-1200,共7页
Using first-principles techniques, we investigate the (001) surfaces of cubic PbHfO3 (PHO) and BaHfO3 (BHO) terminated with both AO (A=Pb and Ba) and HfO2. Surface structure, partial density of states, band st... Using first-principles techniques, we investigate the (001) surfaces of cubic PbHfO3 (PHO) and BaHfO3 (BHO) terminated with both AO (A=Pb and Ba) and HfO2. Surface structure, partial density of states, band structure, and surface energy are obtained. The BaO surface is found to be similar to its counterpart in BHO. For the HfO2-terminated surface of cubic PHO, the largest relaxation appears on the second-layer atoms but not on the first-layer ones. The analysis of the structure relaxation parameters reveals that the rumpling of the (001) surface for PHO is stronger than that for BHO. The surface thermodynamic stability is explored, and it is found that both the PbO- and the BaO-terminated surfaces are more stable than the HfO2-terminated surfaces for PHO and BHO, respectively. The surface energy calculations show that the (001) surface of PHO is more easily constructed than that of BHO. 展开更多
关键词 solid surface structure first-principles calculation electronic structure
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One Novel Mn(Ⅱ)Complex with 1-Substituted-1H-1,2,3-triazole-4-carboxylic Acid:Crystal Structure,Fluorescence and Hirshfeld Surface Analysis 被引量:3
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作者 赵红 朱毓卿 冯超 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第1期66-72,共7页
The crystal structure of one novel Mn(II) complex, [Mn(pmta)_3]_2[Mn(H_2O)_6]·4H_2O(1), is reported(Hpmta = 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid). In the title compound, the asymmetric ... The crystal structure of one novel Mn(II) complex, [Mn(pmta)_3]_2[Mn(H_2O)_6]·4H_2O(1), is reported(Hpmta = 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid). In the title compound, the asymmetric unit consists of a [Mn(pmta_)3]ˉ anion, half [Mn(H_2O)_6]^(2+) counter cation and two lattice H_2O molecules, and the intra- and intermolecular hydrogen bonds connect the complex into a supramolecular structure. The liquid-state fluorescence spectra of complex 1 have been determined. Hirshfeld surface analysis was also studied. The main intermolecular interactions in the complex are O···H and H···H contacts. 展开更多
关键词 Mn(Ⅱ) complex crystal structure supramolecular structure Hirshfeld surface
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One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis 被引量:1
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作者 冯超 黄欢欢 +1 位作者 张舵 赵红 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第9期1376-1382,共7页
One new polymer [Co(L)(H2O)2]n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H2L = 1-(carboxymethyl)-5-methyl-1H-1,... One new polymer [Co(L)(H2O)2]n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H2L = 1-(carboxymethyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid). The title complex performs a wave-like 2D framework and the ligand H2L demonstrates the coordination mode as μ4-η-2:η-1η-1:η-1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed. 展开更多
关键词 1H-1 2 3-triazole acid derivative crystal structure fluorescence Hirshfeld surface analysis
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Impact of Surface Passivation on the Electronic Structure and Optical Properties of the Si1-xGex Nanowires 被引量:1
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作者 赖信 张析 +1 位作者 张依兮 向钢 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第2期119-122,共4页
The electronic structures and optical properties of the [llO]-oriented Sil-xGex nanowires (NWs) passivated with different functional groups (-H, -F and-OH) are investigated by using first-principles calculations. ... The electronic structures and optical properties of the [llO]-oriented Sil-xGex nanowires (NWs) passivated with different functional groups (-H, -F and-OH) are investigated by using first-principles calculations. The results show that surface passivation influences the characteristics of electronic band structures significantly: the band gap widths and types (direct or indirect) of the Si1-xGe, NWs with different terminators show complex and robust variations, and the effective masses of the electrons in the NWs can be modulated dramatically by the terminators. The study of optical absorption shows that the main peaks of the parallel polarization component of Si1-x Gex NWs passivated with the functional groups exhibit prominent changes both in height and position, and are red-shifted with respect to those of corresponding pure Si NWs, indicating the importance of both the terminators and Ge concentrations. Our results demonstrate that the electronic and optical properties of Si1-xGex NWs can be tuned by utilizing selected functional groups as well as particular Ge concentrations for customizing purposes. 展开更多
关键词 110 OH x)Ge_x Nanowires Impact of surface Passivation on the Electronic Structure and Optical Properties of the Si Ge
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