Preparation and Tribological Studies of Stearic Acid Self-Assembled Monolayers on Polymer-Coated Silicon Surface

We present a good alternative method to improve the tribological properties of polymer films by chemisorbing a long-chain monolayer on the functional polymer surface. Thus, a novel self-assembled monolayer is successfully prepared on a silicon substrate coated with amino-group-containing polyethyleneimine (PEI) by the chemical adsorption of stearic acid (STA) molecules. The formation and structure of the STA-PEI film are characterized by means of contact-angle measurement and ellipsometric thickness measurement, and of Fourier transformation infrared spectrometric and atomic force microscopic analyses. The micro- and macro-tribological properties of the STA-PEI film are investigated on an atomic force microscope (AFM) and a unidirectional tribometer, respectively. It has been found that the STA monolayer about 2.1-nm thick is produced on the PEI coating by the chemical reaction between the amino groups in the PEI and the carboxyl group in the STA molecules to form a covalent amide bond in the presence of N,N'-dicyclohexylcarbodiimide (DCCD) as a dehydrating regent. By introducing the STA monolayer, the hydrophilic PEI polymer surface becomes hydrophobic with a water contact angle to be about 105degrees. Study of the time dependence of the film formation shows that the adsorption of PEI is fast, whereas at least 24 h is needed to generate the saturated STA monolayer. Whereas the PEI coating has relatively high adhesion, friction, and poor anti-wear ability, the STA-PEI film possesses good adhesive resistance and high load-carrying capacity and anti-wear ability, which could be attributed to the chemical structure of the STA-PEI thin film. It is assumed that the hydrogen bonds between the molecules of the STA-PEI film act to stabilize the film and can be restored after breaking during sliding. Thus, the self-assembled STA-PEI thin film might find promising application in the lubrication of micro-electromechanical systems (MEMS).

Localized Solid-State Amorphization at Grain Boundaries in a Nanocrystalline Al Solid Solution Subjected to Surface Mechanical Attrition

Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by “GAMESS”, and the rest atoms are treated as MM part calculated by “TINKER”. The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with theQMpart with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(1 0 0) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the imidazole rings are attached to the substrate more tightly than other bases in this peptide.

On The Cyclic Bending Behaviour Of A Hard Coating On A Ductile Substrate With Periodic Surface Hardened Regions

A cyclic bending experiment is designed to investigate the interface fracture behaviour of a hard chromium coating on a ductile substrate with periodic surface hardened regions. The unique deflection pattern of the vertical cracks after they run through the coating and impinge at the interface is revealed experimentally. A simple double-layer elastic beam model is adopted to investigate the interfacial shear stresses analytically. A FE model is employed to compute the stresses of the tri-phase structure under a single round of bending, and to investigate the effect of the loading conditions on the deflection pattern of the vertical cracks at the interface. (C) 2008 Elsevier Ltd. All rights reserved.

Influence Of Free Surface Curvature Of A Liquid Layer On The Critical Marangoni Convection

The Pearson instability was suggested to discuss the onset of Marangoni convection in a liquid layer of large Prandtl number under an applied temperature difference perpendicular to the free surface in the microgravity environment. In this case, the temperature distribution on the curved free surface is nonuniform, and the thermocapillary convection is induced and coupled with the Marangoni convection. In the present paper the effect of volume ratio of the liquid layer on the critical Marangoni convection and the corresponding spatial variation of the convection structure in zero-gravity condition were numerically investigated by two-dimensional model. (C) 2008 Elsevier Ltd. All rights reserved.

Growth Mechanism And Joint Structure Of Zno Tetrapods

Regular zinc oxide (ZnO) tetrapods with a flat plane have been obtained on Si(1 0 0) substrate via the chemical vapour deposition approach. The x-ray diffraction result suggests that these tetrapods are all single crystals with a wurtzite structure that grow along the (0 0 0 1) direction and corresponding electron backscatter diffraction analysis reveals the crystal orientation of growth and exposed surface. Furthermore, we find some ZnO tetrapods with some legs off and the angles between every two legs are measured with the aid of scanning electron microscopy and image analysis, which benefit to reveal the structure of ZnO tetrapods joint. The structure model and growth mechanism of ZnO tetrapods are proposed. Besides, the stable model of the interface was obtained through the density-functional theory calculation and the energy needed to break the twin plane junction was calculated as 5.651 J m(-2).

Interface Layer Effect On The Stress Distribution Of A Wafer-Bonded Bilayer Structure

The interface layer plays an important role in stress transfer in composite structures. However, many interface layer properties such as the modulus, thickness, and uniformity are difficult to determine. The model developed in this article links the influence of the interface layer on the normal stress distribution along the layer thickness with the layer surface morphology before bonding. By doing so, a new method of determining the interfacial parameter(s) is suggested. The effects of the layer thickness and the surface roughness before bonding on the normal stress distribution and its depth profile are also discussed. For ideal interface case with no interfacial shear stress, the normal stress distribution pattern can only be monotonically decreased from the interface. Due to the presence of interfacial shear stress, the normal stress distribution is much more complex, and varies dramatically with changes in the properties of the interface layer, or the dimensions of the bonding layers. The consequence of this dramatic stress field change, such as the shift of the maximum stress from the interface is also addressed. The size-dependent stress distribution in the thickness direction due to the interface layer effect is presented. When the interfacial shear stress is reduced to zero, the model presented in this article is also demonstrated to have the same normal stress distribution as obtained by the previous model, which does not consider the interface layer effect.

Effect of surface tension on the mode selection of vertically excited surface waves in a circular cylindrical vessel

Singular perturbation theory of two-time-scale expansions was developed in inviscid fluids to investigate patternforming, structure of the single surface standing wave, and its evolution with time in a circular cylindrical vessel subject to a vertical oscillation. A nonlinear slowly varying complex amplitude equation, which involves a cubic nonlinear term, an external excitation and the influence of surface tension, was derived from the potential flow equation. Surface tension was introduced by the boundary condition of the free surface in an ideal and incompressible fluid. The results show that when forced frequency is low, the effect of surface tension on the mode selection of surface waves is not important. However, when the forced frequency is high, the surface tension cannot be neglected. This manifests that the function of surface tension is to cause the free surface to return to its equilibrium configuration. In addition, the effect of surface tension seems to make the theoretical results much closer to experimental results.

Deflections and curvatures of a film-substrate structure with the presence of gradient stress in MEMS applications

The close form solutions of deflections and curvatures for a film-substrate composite structure with the presence of gradient stress are derived. With the definition of more precise kinematic assumption, the effect of axial loading due to residual gradient stress is incorporated in the governing equation. The curvature of film-substrate with the presence of gradient stress is shown to be nonuniform when the axial loading is nonzero. When the axial loading is zero, the curvature expressions of some structures derived in this paper recover the previous ones which assume the uniform curvature. Because residual gradient stress results in both moment and axial loading inside the film-substrate composite structure, measuring both the deflection and curvature is proposed as a safe way to uniquely determine the residual stress state inside a film-substrate composite structure with the presence of gradient stress.

Mechanical and thermal structure of a cylindrical plume in the earth's mantle

A mantle plume is understood as a hot, narrow, upwelling flow in the earth's mantle and accompanied by an efficient transfer of mass and energy from deep to upper layer of the earth. The cylindrical plume in earth's mantle plays an important role in explaining the origin of the surface hot spots and linear island chains. From the basic hydrodynamical equations, the detailed mechanical and thermal structure of a cylindrical plume of Newtouian fluids with temperature and pressure-dependent viscosity are given in the present paper. For two sets of rheological parameters the radial profiles of upward velocity, temperature and viscosity in the plume and radiuses of the plume at various depths have been calculated.

On the magnetospheric structure of pulsars

The magnetospheric structure of a pulsar is discussed for a non-force-free magnetic field. The local solution to the axisymmetric equations of the pulsar is obtained by the method of expanding in the polar angle. Particular attention is given to the solutions near the polar axis and the equator. Near the pulsar surface, the magnetic field energy density is found to be larger than the other energy components; the gravitational potential and the kinetic energy are relatively larger far away from the pulsar surface. It is shown that these relations influence the mass distribution in the pulsar magnetosphere. The results also show that the plasma rotation may be nonrigid and, hence, that a corotational region with a closed magnetic field may not exist.

Formation and Structure of Composite Coating of HAD and Micro-Plasma Oxidation on A3 Steel

Composite coatings were obtained on A3 steel by hot dipping aluminum(HAD) at 720 degreesC for 6 min and micro-plasma oxidation (MPO) in alkali electrolyte. The surface morphology, element distribution and interface structure of composite coatings were studied by means of XRD, SEM and EDS. The results show that the composite coatings obtained through HAD/MPO on A3 steel consist of four layers. From the surface to the substrate, the layer is loose Al2O3 ceramic, compact Al2O3 ceramic, At and FeAl intermetallic compound layer in turn. The adhesions among all the layers are strengthened because the ceramic layer formed at the At surface originally, FeAl intermetallic compound layer and substrate are combined in metallurgical form through mutual diffusion during HAD process. Initial experiment results disclose that the anti-corrosion performance and wear resistance of composite coating are obviously improved through HAD/MPO treatment.

Numerical Analyses of Transonic Fluid/Structure interaction in Aircraft Engineering

Through the coupling between aerodynamic and structural governing equations, a fully implicit multiblock aeroelastic solver was developed for transonic fluid/stricture interaction. The Navier-Stokes fluid equations are solved based on LU-SGS (lower-upper symmetric Gauss-Seidel) Time-marching subiteration scheme and HLLEW (Harten-Lax-van Leer-Einfeldt-Wada) spacing discretization scheme and the same subiteration formulation is applied directly to the structural equations of motion in generalized coordinates. Transfinite interpolation (TFI) is used for the grid deformation of blocks neighboring the flexible surfaces. The infinite plate spline (IPS) and the principal of virtual work are utilized for the data transformation between fluid and structure. The developed code was fort validated through the comparison of experimental and computational results for the AGARD 445.6 standard aeroelastic wing. In the subsonic and transonic range, the calculated flutter speeds and frequencies agree well with experimental data, however, in the supersonic range, the present calculation overpredicts the experimental flutter points similar to other computations. Then the flutter character of a complete aircraft configuration is analyzed through the calculation of the change of structural stiffness. Finally, the phenomenon of aileron buzz is simulated for the weakened model of a supersonic transport wing/body model at Mach numbers of 0.98 and l.05. The calculated unsteady flow shows, on the upper surface, the shock wave becomes stronger as the aileron deflects downward, and the flow behaves just contrary on the lower surface of the wing. Corresponding to general theoretical analysis, the flow instability referred to as aileron buzz is induced by a stronger shock alternately moving on the upper and lower surfaces of wing. For the rigid structural model, the flow is stable at all calculated Mach numbers as observed in experiment

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by "GAMESS", and the rest atoms are treated as MM part calculated by "TINKER". The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with the QM part with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(100) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the in-tidazole rings are attached to the substrate more tightly than other bases in this peptide.

Processing Simulation of Virtual Manufacture in Laser Surface Treatmenthang

Processing simulation is at the bottom of the coral technology of VM and is also difficult due to the complexity of mechanism and diversity of parameters. Previously much research has been mainly carried out on the geometrical simulation or physical simulation respectively. The aim of this paper is to study the processing simulation in laser surface treatment based on the mechanism, put forward the architecture of the whole processing simulation and give the models of the processing. As a result the data structure layers in the whole simulation is presented.