Effect of scanning speeds on electrochemical corrosion resistance of laser cladding TC4 alloy

In order to study the effect of scanning speed on the electrochemical corrosion resistance of laser cladding TC4 alloy in artificial seawater, the x-ray diffraction analysis, microstructure of cross-section, microhardness variation, and impedance spectrum have been studied in comparison with the TC4 titanium alloy. The results show that the main phase of cladding coating is α-Ti, and the change of scanning speed has no obvious effect on it; therefore, the supersaturated α-Ti solid solution is formed, and the acicular α martensite is obtained. As the scanning speed increases, the microstructure of cladding coating is orthogonal basket-weave, the crystal surface spacing decreases, and the average microhardness of laser cladding TC4 alloy slightly increases. When the scanning speed increases to 10 mm/s, the microhardness is about 14.71%higher than that of the substrate, and the electrochemical corrosion resistance of laser cladding TC4 alloy is also improved,which is about 2.48 times more than the substrate. Grain refinement has a great effect on enhancing the anti-electrochemical corrosion.     

Quadric surface projection model for fish-eye cameras

The curved surface projection model in fisheye image correction algorithm is presented. To analyze the causes of distortion in existing models, we establish an ideal surface projection model and compare its surface with the surfaces of existing models. Subsequently, feature points are obtained on the ideal surface according to the relationship of coordinates of fish-eye image points and their ideal three-dimentional (3D) points. Finally, the least square method is used to obtain a quadric surface and presents a quadric surface projection model. The experiment shows that the corrected image of the new model is more similar to the actual scene than the corrected images of previous models.     

First-principles study of the （001） surface of cubic PbHfO3 and BaHfO3

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.     

Step instability of the surface during Ino.2Gao.sAs （001） annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8As/GaAs（001） surface has been investigated by scanning tunneling microscopy （STM）. The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton Cabrer-Frank （BCF） model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

Step instability of the In_0.2Ga_0.8As （001） surface during annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8 As/GaAs(001) surface has been investigated by scanning tunneling microscopy (STM). The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton–Cabrera–Frank (BCF) model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

Step instability of the In0.2Ga0.8As （001） surface during annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8 As/GaAs(001) surface has been investigated by scanning tunneling microscopy (STM). The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton–Cabrera–Frank (BCF) model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.     

Effects of dielectric decrement on surface potential in a mixed electrolyte solution

Surface potential is an important parameter related to the physical and chemical properties of charged particles. A simple analytical model for the estimation of surface potential is established based on the Poisson–Boltzmann theory with the consideration of the dielectric decrement in mixed electrolyte. The analytical relationships between surface potential and charge density are derived in different mixed electrolytes with monovalent and bivalent ions. The dielectric decrease on the charged surface strongly affects the surface potential at a high charge density with different ion strengths and concentration ratios of counter-ions. The surface potential based on the Gouy–Chapman model is underestimated because of the dielectric decrement on the surface. The diffuse layer can be regarded as a continuous uniform medium only when the surface charge density is lower than 0.3 C·m~(-2). However, the surface charge densities of many materials in practical applications are higher than 0.3 C·m~(-2). The new model for the estimation of surface potential can return to the results obtained based on the Gouy–Chapman model at a low charge density. Therefore, it is implied that the established model that considers the dielectric decrement is valid and widely applicable.     

Structural and magnetic properties of turmeric functionalized CoFe_2O_4 nanocomposite powder

The structural and magnetic properties of the synthesized pure and functionalized CoFe_2O_4 magnetic nanoparticles(NPs) are studied by analyzing the results from the x-ray diffraction(XRD), transmission electron microscopy(TEM), FT–IR spectroscopy, thermogravimetry(TG), and vibrating sample magnetometer(VSM). To extract the structure and lattice parameters from the XRD analysis results, we first apply the pseudo-Voigt model function to the experimental data obtained from XRD analysis and then the Rietveld algorithm is used in order to optimize the model function to estimate the true intensity values. Our simulated intensities are in good agreement with the experimental peaks, therefore, all structural parameters such as crystallite size and lattice constant are achieved through this simulation. Magnetic analysis reveals that the synthesized functionalized NPs have a saturation magnetization almost equal to that of pure nanoparticles(PNPs). It is also found that the presence of the turmeric causes a small reduction in coercivity of the functionalized NPs in comparison with PNP. Our TGA and FTIR results show that the turmeric is bonded very well to the surface of the NPs. So it can be inferred that a nancomposite(NC) powder of turmeric and nanoparticles is produced. As an application, the anti-arsenic characteristic of turmeric makes the synthesized functionalized NPs or NC powder a good candidate for arsenic removal from polluted industrial waste water.     

The effect of surface roughness on thermal-elasto-hydrodynamic model of contact mechanical seals

In this paper,the effect of surface roughness on sealing clearance,pressure distribution,friction torque and leakage is studied by the thermal-elasto-hydrodynamic mixed lubrication model.A convergent nominal clearance is formed by the pressure deformation and thermal deformation of the seal faces.This causes more serious wear in the inner side than that of the outer side of the contact area.Mass leakage increases with the growing of the surface roughness.The temperature and thermal deformation on the seal surface increases substantially if the roughness is reduced.The contact mechanical seals have consistent performance when the standard deviation of surface roughness is approximately 0.2μm.In order to validate the theoretical analysis model,a method combining the measurement of three-dimensioned profile and Raman spectrum is proposed.     

Structural,electronic and magnetic properties of the Mn-Ni(110) c(2×2) surface alloy

<正>Using first-principles total energy method,we study the structural,the electronic and the magnetic properties of the MnNi(110) c(2×2) surface alloy.Paramagnetic,ferromagnetic,and antiferromagnetic surfaces in the top layer and the second layer are considered.It turns out that the substitutional alloy in the outermost layer with ferromagnetic surface is the most stable in all cases.The buckling of the Mn-Ni(110) c(2×2) surface alloy in the top layer is as large as 0.26 A(1 A=0.1 nm) and the weak rippling is 0.038 A in the third layer,in excellent agreement with experimental results.It is proved that the magnetism of Mn can stabilize this surface alloy.Electronic structures show a large magnetic splitting for the Mn atom,which is slightly higher than that of Mn-Ni(100) c(2×2) surface alloy(3.41 eV) due to the higher magnetic moment.A large magnetic moment for the Mn atom is predicted to be 3.81μB.We suggest the ferromagnetic order of the Mn moments and the ferromagnetic coupling to the Ni substrate,which confirms the experimental results.The magnetism of Mn is identified as the driving force of the large buckling and the work-function change.The comparison with the other magnetic surface alloys is also presented and some trends are predicted.     

Total Structural Energy of Top-Site-Adsorbed CO／Nix-CU1-x Systems

We construct an atomic group model of the disordered binary alloy Nix-Cu1-x for the cases that the surface composition segregation exists or not. According the model, we calculate the electronic structure in a top site of Nix-Cu1-x alloy surface by using the recursion method when CO absorbed on the Nix-Cu1-x surface under the condition of coverage 0.5. The calculation result indicates that chemical absorption of CO reduces the density of states of the disordered binary alloy Nix-Cu1-x, widens the energy band, and strengthens the covalent bonds between the d electron of Ni and s or p electron of CO. Chemisorption of CO inhibits the enrichment of atom Cu on the alloy surface especially when bulk Ni Concentration x is less than 0.8.     

Comparative study of adsorption characteristics of Cs on the GaN(0001) and GaN(000) surfaces

The adsorption characteristics of Cs on GaN(0001) and GaN(000) surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave ultrasoft pseudopotential method based on first-principles calculations.The results show that the most stable position of the Cs adatom on the GaN(0001) surface is at the N-bridge site for 1/4 monolayer coverage.As the coverage of Cs atoms at the N-bridge site is increased,the adsorption energy reduces.As the Cs atoms achieve saturation,the adsorption is no longer stable when the coverage is 3/4 monolayer.The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer,and then rises with Cs atomic coverage.The most stable position of Cs adatoms on the GaN(000) surface is at H3 site for 1/4 monolayer coverage.As the Cs atomic coverage at H3 site is increased,the adsorption energy reduces,and the adsorption is still stable when the Cs adatom coverage is 1 monolayer.The work function reduces persistently,and does not rise with the increase of Cs coverage.     

Comparative study of adsorption characteristics of Cs on the GaN （0001） and GaN （0001） surfaces

The adsorption characteristics of Cs on GaN （0001） and GaN （0001） surfaces with a coverage from 1/4 to 1 monolayer have been investigated using the density functional theory with a plane-wave uttrasoft pseudopotential method based on first-principles calculations. The results show that the most stable position of the Cs adatom on the GaN （0001） surface is at the N-bridge site for 1/4 monolayer coverage. As the coverage of Cs atoms at the N-bridge site is increased, the adsorption energy reduces. As the Cs atoms achieve saturation, the adsorption is no longer stable when the coverage is 3/4 monolayer. The work function achieves its minimum value when the Cs adatom coverage is 2/4 monolayer, and then rises with Cs atomic coverage. The most stable position of Cs adatoms on the GaN （000i） surface is at H3 site for 1/4 monolayer coverage. As the Cs atomic coverage at H3 site is increased, the adsorption energy reduces, and the adsorption is still stable when the Cs adatom coverage is 1 monolayer. The work function reduces persistently, and does not rise with the increase of Cs coverage.     

A New Approach for Residual Stress Analysis of GH3535 Alloy by Using Two-Dimensional Synchrotron X-Ray Diffraction

We propose a new method to evaluate residual stress based on the analysis of a portion of a Debye ring with two-dimensional synchrotron x-ray diffraction.The residual stress of a nickel-based alloy GH3535 evaluated by the proposed method is determined to be-1149 ± 34 MPa based on the quantitative analysis of the deformation of the(200) reflection,and the residual stress obtained by analyzing THE(111) plane is-933 ± 68 MPa.The results demonstrate that the GH3535 alloy surface is highly compressive,as expected for a polishing surface treatment.The proposed method provides insight into the field of residual stress measurement and quantitative understanding of the residual stress states in GH3535.     

Investigation of Ti6Al4V and AA7075 alloy embedded nanofluid flow over longitudinal porous fin in the presence of internal heat generation and convective condition

The thermal attributes of porous fin due to radiation and natural convection have been carried out in the presence of nanofluid flow. The geometry of the fin taken for the analysis is rectangular profiled longitudinal fin. The temperature-dependent internal heat generation condition is also considered along with Darcy's model. The two types of nanofluid containing titanium alloy(Ti6Al4V) and aluminium alloy(AA7075) immersed in water is considered for the investigation.The modelled nonlinear ordinary differential equation is numerically solved by the Runge–Kutta–Fehlberg technique. The impact of geometric parameter on the heat transfer analysis of the fin due to the flow of both nanofluids is plotted and consequences are physically interpreted. It is observed that the presence of the water-based titanium alloy better enhances the fin heat transfer rate.     

Surface diffusion of Si,Ge and C adatoms on Si （001） substrate studied the molecular dynamics simulation

Depositions of Si, Ge and C atoms onto a preliminary Si (001) substrate at different temperatures are investigated by using the molecular dynamics method. The mechanism of atomic self-assembling occurring locally on the flat terraces between steps is suggested. Diffusion and arrangement patterns of adatoms at different temperatures are observed. At 900 K, the deposited atoms are more likely to form dimers in the perpendicular [110] direction due to the more favourable movement along the perpendicular [110] direction. C adatoms are more likely to break or reconstruct the dimers on the substrate surface and have larger diffusion distances than Ge and Si adatoms. Exchange between C adatoms and substrate atoms are obvious and the epitaxial thickness is small. Total potential energies of adatoms and substrate atoms involved in the simulation cell are computed. When a newly arrived adatom reaches the stable position, the potential energy of the system will decrease and the curves turns into a ladder-like shape. It is found that C adatoms can lead to more reduction of the system energy and the potential energy of the system will increase as temperature increases.     

Structural, electronic and magnetic properties of the Mnben Ni(110) c(2×2) surface alloy

Using first-principles total energy method, we study the structural, the electronic and the magnetic properties of the MnNi(110) c(2×2) surface alloy. Paramagnetic, ferromagnetic, and antiferromagnetic surfaces in the top layer and the second layer are considered. It turns out that the substitutional alloy in the outermost layer with ferromagnetic surface is the most stable in all cases. The buckling of the Mn–Ni(110) c(2×2) surface alloy in the top layer is as large as 0.26á(1á=0.1 n13) and the weak rippling is 0.038 AA in the third layer, in excellent agreement with experimental results. It is proved that the magnetism of Mn can stabilize this surface alloy. Electronic structures show a large magnetic splitting for the Mn atom, which is slightly higher than that of Mn–Ni(100) c(2×2) surface alloy (3.41 eV) due to the higher magnetic moment. A large magnetic moment for the Mn atom is predicted to be 3.81 μ_B. We suggest the ferromagnetic order of the Mn moments and the ferromagnetic coupling to the Ni substrate, which confirms the experimental results. The magnetism of Mn is identified as the driving force of the large buckling and the work-function change. The comparison with the other magnetic surface alloys is also presented and some trends are predicted.     

Statistical model for combustion of high-metal magnesium-based hydro-reactive fuel

<正>We investigate experimentally and analytically the combustion behavior of a high-metal magnesium-based hydroreactive fuel under high temperature gaseous atmosphere.The fuel studied in this paper contains 73%magnesium powders.An experimental system is designed and experiments are carried out in both argon and water vapor atmospheres. It is found that the burning surface temperature of the fuel is higher in water vapor than that in argon and both of them are higher than the melting point of magnesium,which indicates the molten state of magnesium particles in the burning surface of the fuel.Based on physical considerations and experimental results,a mathematical one-dimensional model is formulated to describe the combustion behavior of the high-metal magnesium-based hydro-reactive fuel.The model enables the evaluation of the burning surface temperature,the burning rate and the flame standoff distance each as a function of chamber pressure and water vapor concentration.The results predicted by the model show that the burning rate and the surface temperature increase when the chamber pressure and the water vapor concentration increase,which are in agreement with the observed experimental trends.     

Estimation of luminescence lifetime in frequency domain

Absorption is the origin of luminescence. But it must be noticed that the lifetime of luminescence might reversely influence the rate of absorption. In this paper, it is reported that the luminescence intensity of copper and manganese changes with the driving frequency at constant voltage.The variation of luminescent intensity depends only on the lifetime of luminescence but not on the type of quenching or other factors. Generally the rate of absorption is dominantly determined by the material property and the lifetime of luminescence centres, the absorption of shorter lifetime centre will be larger than that of the longer lifetime centre at the same excited condition.     

Analysis of the injection layer of PTCDA in OLEDs using x-ray photoemission spectroscopy and atomic force microscopy

Through the investigation of the sample surface and interface of 3, 4, 9, 10-perylenetetracarboxylic dianhydride (PTCDA)/indium-tin-oxide (ITO) thin films using atomic force microscopy, it has been found that the surface is complanate, the growth is uniform and the defects cover basically the surface of ITO. Furthermore, the number of pinholes is small. The analysis of the sample surface and interface further verifies this result by using x-ray photoemission spectroscopy . At the same time, PTCDA is found to have the ability of restraining the diffusion of chemical constituents from ITO to the hole transport layer, which is beneficial to the improvement of the performance and the useful lifetime of the organic light emitting diodes (OLEDs).