Peierls-Nabarro model of interfacial misfit dislocation: An analytic solution

We propose a method to treat the interfacial misfit dislocation array following the original Peierls-Nabarro's ideas. A simple and exact analytic solution is derived in the extended Peierls-Nabarro's model, and this solution reflects the core structure and the energy of misfit dislocation, which depend on misfit and bond strength. We also find that only with beta < 0.2 the structure of interface can be represented by an array of singular Volterra dislocations, which conforms to those of atomic simulation. Interfacial energy and adhesive work can be estimated by inputting ab initio calculation data into the model, and this shows the method can provide a correlation between the ab initio calculations and elastic continuum theory.

The modified Peierls-Nabarro model of interfacial misfit dislocation

The Peierls-Nabarro model of the interfacial misfit dislocation array is analytically extended to a family of dislocations of greater widths. By adjusting a parameter, the width of the misfit dislocations, the distribution of the shear stress, and the restoring force law can be systematically varied. The smaller the amplitude of the restoring force, the wider the misfit dislocations and the lower the interfacial energy.

Self-assembly of T-shaped rod-coil block copolymer melts

Self-assembled behavior of T-shaped rod-coil block copolymer melts is studied by applying self-consistent-field lattice techniques in three-dimensional space. Compared with rod-coil diblock copolymers with the anchor point positioned at one end, the copolymers with the anchor point at the middle of the rod exhibit significantly different phase behaviors. When the rod volume fraction is low, the steric hindrance of the lateral coils prevents the rods stacking into strip or micelle as that in rod-coil diblock copolymers. The competition between interfacial energy and entropy results in the formation of lamellar structures and the increasing thickness of the lamellar layer with increasing rod volume fraction.

A new model for the energy release rate of fibre/matrix interfacial fracture

On the basis of the well-known shear-lag analysis of fibre/matrix interface stresses and the assumption of identical axial strains in the fibre and matrix, a new model for predicting the energy release rate of interfacial fracture of the fibre pull-out test model is attempted. The expressions for stresses in the fibre, matrix and interface are derived. The formula for interfacial debonding energy release rate is given. Numerical calculations are conducted and the results obtained are compared with those of the existing models.

Electroluminescence behavior of ZnO/Si heterojunctions: Energy band alignment and interfacial microstructure

n-ZnO/p-Si heterojunction light-emitting diodes (LEDs) show weak defect-related electroluminescence (EL). In order to analyze the origin of the weak EL, the energy band alignment and interfacial microstructure of ZnO/Si heterojunction are investigated by x-ray photoelectron spectroscopy. The valence band offset (VBO) is determined to be 3.15 +/- 0.15 eV and conduction band offset is -0.90 +/- 0.15 eV, showing a type-II band alignment. The higher VBO means a high potential barrier for holes injected from Si into ZnO, and hence, charge carrier recombination takes place mainly on the Si side rather than the ZnO layer. It is also found that a 2.1 nm thick SiOx interfacial layer is formed at the ZnO/Si interface. The unavoidable SiOx interfacial layer provides to a large number of nonradiative centers at the ZnO/Si interface and gives rise to poor crystallinity in the ZnO films. The weak EL from the n-ZnO/p-Si LEDs can be ascribed to the high ZnO/Si VBO and existence of the SiOx interfacial layer.

Influences of Hydration Force and Elastic Strain Energy on the Stability of Solid Film in a Very Thin Solid-on-Liquid Structure

Since hydration forces become very strong at short range and are particularly important for determining the magnitude of the adhesion between two surfaces or interaction energy, the influences of the hydration force and elastic strain energy due to hydration-induced layering of liquid molecules close to a solid film surface on the stability of a solid film in a solid-on-liquid (SOL) nanostructure are studied in this paper. The liquid of this thin SOL structure is a kind of water solution. Since the surface forces play an important role in the structure, the total free energy change of SOL structures consists of the changes in the bulk elastic energy within the solid film, the surface energy at the solid-liquid interface and the solid-air interface, and highly nonlinear volumetric component associated with interfacial forces. The critical wavelength of one-dimensional undulation, the critical thickness of the solid film, and the critical thickness of the liquid layer are studied, and the stability regions of the solid film have been determined. Emphasis is placed on calculation of critical values, which are the basis of analyzing the stability of the very thin solid film.

Debonding and cracking energy release rate of the fiber/matrix interface

An investigation of fiber/matrix interfacial fracture energy is presented in this paper. Several existing theoretical expressions for the fracture energy of interfacial debonding are reviewed. For the single-fiber/matrix debonding and pull-out experimental model, a study is carried out on the effect of interfacial residual compressive stress and friction on interface cracking energy release rate.

Inverse Analysis Determining Interfacial Properties Between Metal Film And Ceramic Substrate With An Adhesive Layer

In the present study, peel tests and inverse analysis were performed to determine the interfacial mechanical parameters for the metal film/ceramic system with an epoxy interface layer between film and ceramic. Al films with a series of thicknesses between 20 and 250 mu m and three peel angles of 90 degrees, 135 degrees and 180 degrees were considered. A finite element model with the cohesive zone elements was used to simulate the peeling process. The finite element results were taken as the training data of a neural network in the inverse analysis. The interfacial cohesive energy and the separation strength can be determined based on the inverse analysis and peel experimental result.

On The Thermally Induced Interfacial Delamination Of A Segmented Coating

The thermally induced interfacial delamination problem of a segmented coating is investigated using finite element method (FEM). The coating-substrate system, modeled as a coated semi-infinite medium with periodic segmentation cracks within coating, is assumed to be exposed to convective cooling from surface. The failure criterion based on the interfacial fracture toughness is adopted, in which the energy release rate for an interface crack is considered to be the driving force for interfacial delamination extension. The results confirm that a segmented coating has higher delamination resistance than an intact one under the same thermal transients, as the segmentation crack spacing is smaller than a critical value. Based on dimensional analysis, sensitivity analyses of the crack driving force are also obtained as a function of various dimensionless parameters such as time, convection severity and material constants. These results may provide some helpful references for the integrity of coating-substrate systems under thermal loading. (C) 2007 Elsevier B.V. All rights reserved.

Determination Of Interfacial Properties Between Metal Film And Ceramic Substrate With An Adhesive Layer

Peel test measurements and inverse analysis to determine the interfacial mechanical parameters for the metal film/ceramic system are performed, considering that there exist an epoxy interface layer between film and ceramic. In the present investigation, Al films with a series of thicknesses between 20 and 250 mu m and three peel angles of 90, 135 and 180 degrees are considered. A finite element model with the cohesive zone elements is used to simulate the peel test process. The finite element results are taken as the training data of a neural network in the inverse analysis. The interfacial cohesive energy and the separation strength can be determined based on the inverse analysis and peel experimental result. (C) 2008 Elsevier Ltd. All rights reserved.

Effect of interfacial heat transfer on the onset of oscillatory convection in liquid bridge

In present study, effect of interfacial heat transfer with ambient gas on the onset of oscillatory convection in a liquid bridge of large Prandtl number on the ground is systematically investigated by the method of linear stability analyses. With both the constant and linear ambient air temperature distributions, the numerical results show that the interfacial heat transfer modifies the free-surface temperature distribution directly and then induces a steeper temperature gradient on the middle part of the free surface, which may destabilize the convection. On the other hand, the interfacial heat transfer restrains the temperature disturbances on the free surface, which may stabilize the convection. The two coupling effects result in a complex dependence of the stability property on the Biot number. Effects of melt free-surface deformation on the critical conditions of the oscillatory convection were also investigated. Moreover, to better understand the mechanism of the instabilities, rates of kinetic energy change and "thermal" energy change of the critical disturbances were investigated (C) 2009 Elsevier Ltd. All rights reserved.

Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores

The excess Helmholtz free energy functional for associating hard sphere fluid is formulated by using a modified fundamental measure theory [Y. X. Yu and J. Z. Wu, J. Chem. Phys. 117, 10156 (2002)]. Within the framework of density functional theory, the thermodynamic properties including phase equilibria for both molecules and monomers, equilibrium plate-fluid interfacial tensions and isotherms of excess adsorption, average molecule density, average monomer density, and plate-fluid interfacial tension for four-site associating hard sphere fluids confined in slit pores are investigated. The phase equilibria inside the hard slit pores and attractive slit pores are determined according to the requirement that temperature, chemical potential, and grand potential in coexistence phases should be equal and the plate-fluid interfacial tensions at equilibrium states are predicted consequently. The influences of association energy, fluid-solid interaction, and pore width on phase equilibria and equilibrium plate-fluid interfacial tensions are discussed.

Preparation and characterization of microencapsulated hexadecane used for thermal energy storage

Polyurea microcapsules about 2.5 mum in diameter containing phase change material for thermal energy storage application were synthesized and characterized by interfacial polycondensation method with toluene-2,4-diisocyanate and ethylenediamine as monomers in an emulsion system. Hexadecane was used as a phase change material and OP, which is nonionic surfactant, and used as an emulsifier. The chemical structure and thermal behavior of the microcapsules were investigated by FTIR and thermal analysis respectively. The results show encapsulated hexadecane has a good potential as a solar energy storage material.

Microencapsulation of n-eicosane as energy storage material

For heat energy storage application, polyurea. microcapsules containing phase change material, n-eicosane, were synthesized by using interfacial polymerization method with toluene- 2,4-diisocyanate (TDI) and diethylenetriamine (DETA) as monomers in an emulsion system. Poly(ethylene glycol)octyl-phenyl ether (OP), a nonionic surfactant, was the emulsifier for the system. The experimental result indicates that TDI was reacted with DETA in a mass ratio of 3 to 1. FT-IR spectra confirm the formation of wall material, polyurea, from the two monomers, TDI and DETA. Encapsulation efficiency of n-eicosane is about 75%. Microcapsule of n-eicosane melts at a temperature close to that of n-eicosane, while its stored heat energy varies with core material n-eicosane when wall material fixed. Thermo-gravimetric analysis shows that core material n-eicosane, micro-n-eicosane and wall material polyurea can withstand temperatures up to 130, 170 and 250 degreesC, respectively.

Effect of interfacial roughness on dewetting behavior of polystyrene/poly(methyl methacrylate) bilayer film

The dewetting behavior of polystyrene (PS) film on poly(methyl methacrylate) (PMMA) sublayer was investigated by changing the short-range roughness of the PMMA sublayer systemically. When the bilayer film was heated to the temperature above both Tgs, the protuberances formed in both layers to reduce the system energy. By tracing the dewetting process of the PS up-layer, the dewetting velocity was found to increase with the roughness of the sublayer.