Study of band offsets at the Cu2SnS3/In2O3: Sn interface using x-ray photoelectron spectroscopy

Cu2SnS3 thins films were deposited onto In2O3: Sn coated soda lime glass substrates by spin coating technique. The films have been structurally characterized using x-ray Diffraction (XRD) and Atomic Force Microscopy (AFM). The morphology of the films was studied using Field Emission Scanning Electron Microscopy (FESEM). The optical properties of the films were determined using UV-vis-NIR spectrophotometer. The electrical properties were measured using Hall effect measurements. The energy band offsets at the Cu2SnS3/In2O3: Sn interface were calculated using x-ray photoelectron spectroscopy (XPS). The valence band offset was found to be -3.4 +/- 0.24 eV. From the valence band offset value, the conduction band offset is calculated to be -1.95 +/- 0.34 eV. The energy band alignment indicates a type-II misaligned heterostructure formation.

Study of band offsets at the Cu2SnS3/In2O3: Sn interface using x-ray photoelectron spectroscopy

Cu2SnS3 thins films were deposited onto In2O3: Sn coated soda lime glass substrates by spin coating technique. The films have been structurally characterized using x-ray Diffraction (XRD) and Atomic Force Microscopy (AFM). The morphology of the films was studied using Field Emission Scanning Electron Microscopy (FESEM). The optical properties of the films were determined using UV-vis-NIR spectrophotometer. The electrical properties were measured using Hall effect measurements. The energy band offsets at the Cu2SnS3/In2O3: Sn interface were calculated using x-ray photoelectron spectroscopy (XPS). The valence band offset was found to be -3.4 +/- 0.24 eV. From the valence band offset value, the conduction band offset is calculated to be -1.95 +/- 0.34 eV. The energy band alignment indicates a type-II misaligned heterostructure formation.

Density functional theory based study of chlorine doped WS2-metal interface

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS2 with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS2 supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS2. (C) 2016 AIP Publishing LLC.

Effect of particle size of sand and surface asperities of reinforcement on their interface shear behaviour

This paper investigates the effect of particle size of sand and the surface asperities of reinforcing material on their interlocking mechanism and its influence on the interfacial shear strength under direct sliding condition. Three sands of different sizes with similar morphological characteristics and four different types of reinforcing materials with different surface features were used in this study. Interface direct shear tests on these materials were performed in a specially developed symmetric loading interface direct shear test setup. Morphological characteristics of sand particles were determined from digital image analysis and the surface roughness of the reinforcing materials was measured using an analytical expression developed for this purpose. Interface direct shear tests at three different normal stresses were carried out by shearing the sand on the reinforcing material fixed to a smooth surface. Test results revealed that the peak interfacial friction and dilation angles are hugely dependent upon the interlocking between the sand particles and the asperities of reinforcing material, which in turn depends on the relative size of sand particles and asperities. Asperity ratio (AS/D-50) of interlocking materials, which is defined as the ratio of asperity spacing of the reinforcing material and the mean particle size of sand was found to govern the interfacial shear strength with highest interfacial strength measured when the asperity ratio was equal to one, which represents the closest fitting of sand particles into the asperities. It was also understood that the surface roughness of the reinforcing material influences the shear strength to an extent, the influence being more pronounced in coarser particles. Shear bands in the interface shear tests were analysed through image segmentation technique and it was observed that the ratio of shear band thickness (t) to the median particle size (D-50) was maximum when the AS/D-50 was equal to one. (C) 2015 Elsevier Ltd. All rights reserved.

Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision

Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecular viewers Jmol and JSmol to visualize the hydrogen-bond interactions. The proposed server is freely available and accessible via the World Wide Web at http://bioserver1.physics.iisc.ernet.in/hbcs/.

Stress-strain fields and the effectiveness shear properties for three-phase composites with imperfect interface

Based on the 'average stress in the matrix' concept of Mori and Tanaka (:Mori, T., Tanaka, K., 1973. Average stress in matrix and average elastic energy of materials with misfitting inclusion. Acta Metall. 21, 571-580) a micromechanical model is presented for the prediction of the elastic fields in coated inclusion composites with imperfect interfaces. The solutions of the effective elastic moduli for this kind of composite are also obtained. In two kinds of composites with coated particulates and fibers, respectively, the interface imperfections are takes to the assumption that the interface displacement discontinues are linearly related to interface tractions like a spring layer of vanishing thickness. The resulting effective shear modulus for each material and the stress fields in the composite are presented under a transverse shear loading situation.

An experimental study on turbulent coherent structures near a sheared air-water interface

The turbulence structures near a sheared air-water interface were experimentally investigated with the hydrogen bubble visualization technique. Surface shear was imposed by an airflow over the water flow which was kept free from surface waves. Results show that the wind shear has the main influence on coherent structures under air-water interfaces. Low- and high- speed streaks form in the region close to the interface as a result of the imposed shear stress. When a certain airflow velocity is reached, "turbulent spots" appear randomly at low-speed streaks with some characteristics of hairpin vortices. At even higher shear rates, the flow near the interface is dominated primarily by intermittent bursting events. The coherent structures observed neat sheared air-water interfaces show qualitative similarities with those occurring in near-wall turbulence. However, a few distinctive phenomena were also observed, including the fluctuating thickness of the instantaneous boundary layer and vertical vortices in bursting processes, which appear to be associated with the characteristics of air-water interfaces.

Thermal-mechanical interface crack behaviour of a surface mount solder joint

The effect of thermal-mechanical loading on a surface mount assembly with interface cracks between the solder and the resistor and between the solder and the printed circuit board (PCB) was studied using a non-linear thermal finite element analysis. The thermal effect was taken as cooling from the solder eutectic temperature to room temperature. Mechanical loading at the ends of the PCB was also applied. The results showed that cooling had the effect of causing large residual shear displacement at the region near the interface cracks. The mechanical loading caused additional crack opening displacements. The analysis on the values of J-integral for the interface cracks showed that J-integral was approximately path independent, and that the effect of crack at the solder/PCB interface is much more serious than that between the component and solder.

Application of laser cladding technology to improve the interface of thermal barrier coatings

The present study is focused on improvement of the adhesion properties of the interface between plasma-sprayed coatings and substrates by laser cladding technology (LCT), Within the laser-clad layer there is a gradient distribution in chemical composition and mechanical properties that has been confirmed by SEM observation and microhardness measurement. The residual stress due to mismatches in thermal and mechanical properties between coatings and substrates can be markedly reduced and smoothed out. To examine the changes of microstructure and crack propagation in the coating and interface during loading, the three-point bending test has been carried out in SEM with a loading device. Analysis of the distribution of shear stress near the interface under loading has been made using the FEM code ANSYS, The experimental results show clearly that the interface adhesion can be improved with LCT pretreatment, and the capability of the interface to withstand the shear stress as well as to resist microcracking has been enhanced.

A Crack Perpendicular to the Bimaterial Interface in Finite Solid

The dislocation simulation method is used in this paper to derive the basic equations for a crack perpendicular to the bimaterial interface in a finite solid. The complete solutions to the problem, including the T stress and the stress intensity factors are obtained. The stress field characteristics are investigated in detail. It is found that when the crack is within a weaker material, the stress intensity factor is smaller than that in a homogeneous material and it decreases when the distance between the crack tip and interface decreases. When the crack is within a stiffer material, the stress intensity factor is larger than that in a homogeneous material and it increases when the distance between the crack tip and interface decreases. In both cases, the stress intensity factor will increase when the ratio of the size of a sample to the crack length decreases. A comparison of stress intensity factors between a finite problem and an infinite problem has been given also. The stress distribution ahead of the crack tip, which is near the interface, is shown in details and the T stress effect is considered.

Concentration distribution in solution crystal growth: effect of moving interface conditions

The linear diffusion-reaction theory with finite interface kinetics is employed to describe the dissolution and the growth processes. The results show that it is imperative to consider the effect of the moving interfaces on the concentration distribution at the growth interface for some cases. For small aspect ratio and small gravity magnitude, the dissolution and the growth interfaces must be treated as the moving boundaries within an angle range of 0 degrees < gamma < 50 degrees in this work. For large aspect ratio or large gravity magnitude, the effect of the moving interfaces on the concentration distribution at the growth interface can be neglected except for gamma < - 50 degrees.

Dynamic SIF of interface crack between two dissimilar viscoelastic bodies under impact loading

In this paper, the transient dynamic stress intensity factor (SIF) is determined for an interface crack between two dissimilar half-infinite isotropic viscoelastic bodies under impact loading. An anti-plane step loading is assumed to act suddenly on the surface of interface crack of finite length. The stress field incurred near the crack tip is analyzed. The integral transformation method and singular integral equation approach are used to get the solution. By virtue of the integral transformation method, the viscoelastic mixed boundary problem is reduced to a set of dual integral equations of crack open displacement function in the transformation domain. The dual integral equations can be further transformed into the first kind of Cauchy-type singular integral equation (SIE) by introduction of crack dislocation density function. A piecewise continuous function approach is adopted to get the numerical solution of SIE. Finally, numerical inverse integral transformation is performed and the dynamic SIF in transformation domain is recovered to that in time domain. The dynamic SIF during a small time-interval is evaluated, and the effects of the viscoelastic material parameters on dynamic SIF are analyzed.

Marangoni-Benard instability with the exchange of evaporation at liquid-vapour interface

A new two-sided model rather than the one-sided model in previous works is put forward. The linear instability analysis is performed on the Marangoni-Benard convection in the two-layer system with an evaporation interface. We define a new evaporation Biot number which is different from that in the one-sided model, and obtain the curves of critical Marangoni number versus wavenumber. The influence of evaporation velocity and Biot number on the system is discussed and a new phenomenon uninterpreted before is now explained from our numerical results.

A crack perpendicular to and terminating at a bimaterial interface

Using dislocation simulation approach, the basic equation for a finite crack perpendicular to and terminating at a bimaterial interface is formulated. A novel expansion method is proposed for solving the problem. The complete solution to the problem, including the explicit formulae for the T stresses ahead of the crack tip and the stress intensity factors are presented. The stress held characteristics are analysed in detail. It is found that normal stresses sigma(x) and sigma(y) ahead of the crack tip, are characterised by Q fields if the crack is within a stiff material and the parameters \p(T)\ and \q(T)\ are very small, where Q is a generalised stress intensity factor for a crack normal to and terminating at the interface. If the crack is within a weak material, the normal stresses sigma(x) and sigma(y) are dominated by the Q field plus T stress.