Effect of contact stresses on shape recovery of NiTiCu thin films

Permanent plastic deformation induced by mechanical contacts affects the shape recovery of shape memory alloys. To understand the shape recovery of NiTiCu thin films subjected to local contact stresses, systematic investigations are carried out by inducing varying levels of contact stresses using nanoindentation. The resulting indents are located precisely for imaging using a predetermined array consisting of different sized indents. Morphology and topography of these indents before and after shape recovery are characterized using Scanning Electron Microscope and Atomic Force Microscope quantitatively. Shape recovery is found to be dependent on the contact stresses at the low loads while the recovery ratio remains constant at 0.13 for higher loads. Shape recovery is found to occur mainly in depth direction of the indent, while far field residual stresses play very little role in the recovery. (C) 2014 Elsevier B.V. All rights reserved.

Effect of Rayleigh numbers on the evolution of double-diffusive salt fingers

This is a transient two-dimensional numerical study of double-diffusive salt fingers in a two-layer heat-salt system for a wide range of initial density stability ratio (R-rho 0) and thermal Rayleigh numbers (Ra-T similar to 10(3) - 10(11)). Salt fingers have been studied for several decades now, but several perplexing features of this rich and complex system remain unexplained. The work in question studies this problem and shows the morphological variation in fingers from low to high thermal Rayleigh numbers, which have been missed by the previous investigators. Considerable variations in convective structures and evolution pattern were observed in the range of Ra-T used in the simulation. Evolution of salt fingers was studied by monitoring the finger structures, kinetic energy, vertical profiles, velocity fields, and transient variation of R-rho(t). The results show that large scale convection that limits the finger length was observed only at high Rayleigh numbers. The transition from nonlinear to linear convection occurs at about Ra-T similar to 10(8). Contrary to the popular notion, R-rho(t) first decrease during diffusion before the onset time and then increase when convection begins at the interface. Decrease in R-rho(t) is substantial at low Ra-T and it decreases even below unity resulting in overturning of the system. Interestingly, all the finger system passes through the same state before the onset of convection irrespective of Rayleigh number and density stability ratio of the system. (C) 2014 AIP Publishing LLC.

Effect of thermal annealing on dual photoluminescence emission characteristics of chemically synthesized uncapped Mn2+ doped ZnS quantum dots

Dual photoluminescence (PL) emission characteristics of Mn2+ doped ZnS (ZnS:Mn) quantum dots (QDs) have drawn a lot of attention recently. However, here we report the effect of thermal annealing on the PL emission characteristics of uncapped ZnS:Mn QDs of average sizes similar to 2-3 nm, synthesized by simple chemical precipitation method by using de-ionized (DI) water at room temperature. As-synthesized samples show dual PL emissions, having one UV PL band centred at similar to 400 nm and the other in the visible region similar to 610 nm. But when the samples are isochronally annealed for 2 h at 100-600 degrees C temperature range in air, similar to 90% quenching of Mn2+ related visible PL emission intensity takes place at the annealing temperature of 600 degrees C. X-ray diffraction data show that the as-synthesized cubic ZnS has been converted to wurtzite ZnO at 600 degrees C annealing temperature. The nanostructural properties of the samples are also determined by transmission electron micrograph, electron probe micro-analyser and UV-vis spectrophotometry. The photocatalytic property of the annealed ZnS:Mn sample has been demonstrated and photo-degradation efficiency of the as-synthesized and 600 degrees C annealed ZnS:Mn sample has been found out to be similar to 35% and similar to 61%, respectively, for the degradation of methylene blue dye under visible light irradiation. The synthesized QDs may find significant applications in future optoelectronic devices. (C) 2014 Elsevier B.V. All rights reserved.

Low-Density Steels: The Effect of Al Addition on Microstructure and Properties

Density reduction of automotive steels is needed to reduce fuel consumption, thereby reducing greenhouse gas emissions. Aluminum addition has been found to be effective in making steels lighter. Such an addition does not change the crystal structure of the material. Steels modified with aluminum possess higher strength with very little compromise in ductility. In this work, different compositions of Fe-Al systems have been studied so that the desired properties of the material remain within the limit. A density reduction of approximately 10% has been achieved. The specific strength of optimal Fe-Al alloys is higher than conventional steels such as ultra-low-carbon steels.

Effect of Groundwater Seepage on Uplift Resistance of Buried Pipelines

The uplift resistance of pipelines buried in sands, in the presence of inclined groundwater flow, considering both upward and downward flow directions, has been determined by using the lower bound finite elements limit analysis in conjunction with nonlinear optimization. A correction factor (f (gamma) ), which needs to be multiplied with the uplift factor (F (gamma) ), has been computed to account for groundwater seepage. The variation of f (gamma) has been obtained as a function of i(gamma (w) /gamma (sub) ) for different horizontal inclinations (theta) of groundwater flow; where i = absolute magnitude of hydraulic gradient along the direction of flow, gamma (w) is the unit weight of water and gamma (sub) is the submerged unit weight of soil mass. For a given magnitude of i, there exists a certain critical value of theta for which the magnitude of f (gamma) becomes the minimum. An example has also been presented to illustrate the application of the results obtained for designing pipelines in presence of groundwater seepage.

Effect of functional groups on separating carbon dioxide from CO2/N-2 gas mixtures using edge functionalized graphene nanoribbons

Development of microporous adsorbents for separation and sequestration of carbon dioxide from flue gas streams is an area of active research. In this study, we assess the influence of specific functional groups on the adsorption selectivity of CO2/N-2 mixtures through Grand Canonical Monte Carlo (GCMC) simulations. Our model system consists of a bilayer graphene nanoribbon that has been edge functionalized with OH, NH2, NO2, CH3 and COOH. Ab initio Moller-Plesset (MP2) calculations with functionalized benzenes are used to obtain binding energies and optimized geometries for CO2 and N-2. This information is used to validate the choice classical forcefields in GCMC simulations. In addition to simulations of adsorption from binary mixtures of CO2 and N-2, the ideal adsorbed solution theory (IAST) is used to predict mixture isotherms. Our study reveals that functionalization always leads to an increase in the adsorption of both CO2 and N-2 with the highest for COOH. However, significant enhancement in the selectivity for CO2 is only seen with COOH functionalized nanoribbons. The COOH functionalization gives a 28% increase in selectivity compared to H terminated nanoribbons, whereas the improvement in the selectivity for other functional groups are much Enure modest. Our study suggests that specific functionalization with COOH groups can provide a material's design strategy to improve CO2 selectivity in microporous adsorbents. Synthesis of graphene nanoplatelets with edge functionalized COOH, which has the potential for large scale production, has recently been reported (Jeon el, al., 2012). (C) 2014 Elsevier Ltd. All rights reserved,

Effect of epitaxial strain on phase separation in thin films

In epitaxially grown alloy thin films, spinodal decomposition may be promoted or suppressed depending on the sign of the epitaxial strain. We study this asymmetry by extending Cahn's linear theory of spinodal decomposition to systems with a composition dependent lattice parameter and modulus (represented by Vegard's law coefficients, GRAPHICS] and y, respectively), and an imposed (epitaxial) strain (e). We show analytically (and confirm using simulations) that the asymmetric effect of epitaxial strains arises only in elastically inhomogeneous systems. Specifically, we find good agreement between analytical and simulation results for the wave number GRAPHICS] of the fastest growing composition fluctuation. The asymmetric effect due to epitaxial strain also extends to microstructure formation: our simulations show islands of elastically softer (harder) phase with (without) a favourable imposed strain. We discuss the implications of these results to GeSi thin films on Si and Ge substrates, as well as InGaAs films on GaAs substrates.

The effect of Cu addition on the thermoelectric properties of Cu2CdGeSe4

Recently, research in copper based quaternary chalcogenide materials has focused on the study of thermoelectric properties due to the complexity in the crystal structure. In the present work, stoichiometric quaternary chalcogenide compounds Cu2+xCd1-x,GeSe4 (x = 0, 0.025, 0.05, 0.075, 0.1, 0.125) were prepared by solid state synthesis. The powder X-ray diffraction patterns of all the samples showed a tetragonal crystal structure with the space group I-42m of the main phase, whereas the samples with x = 0 and x = 0.025 revealed the presence of an orthorhombic phase in addition to the main phase as confirmed by Rietveld analysis. The elemental composition of all the samples characterized by Electron Probe Micro Analyzer showed a slight deviation from the nominal composition. The transport properties were measured in the temperature range of 300 K-723 K. The electrical conductivity of all the samples increased with increasing Cu content due to the enhancement of the hole concentration caused by the substitution of Cd (divalent) by Cu (monovalent). The positive Seebeck coefficient of all the samples in the entire temperature ranges indicates that holes are the majority carriers. The Seebeck coefficient of all the samples decreased with increasing Cu content and showed a reverse trend to the electrical conductivity. The total thermal conductivity of all the samples decreased with increasing temperature which was dominated by the lattice contribution. The maximum figure of merit ZT = 0.42 at 723 K was obtained for the compound Cu2.1Cd0.9GeSe4. (C) 2014 Elsevier Ltd. All rights reserved.

Effect of Line Defects on the Electrical Transport Properties of Monolayer MoS2 Sheet

We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental observations, are considered herein. We employ the density functional tight-binding (DFTB) method with a Slater-Koster-type DFTB-CP2K basis set for evaluating the material properties of perfect and the various defective MoS2 sheets. The transmission spectra are computed with a DFTB-non-equilibrium Green's function formalism. We also perform a detailed analysis of the carrier transmission pathways under a small bias and investigate the phase of the transmission eigenstates of the defective MoS2 sheets. Our simulations show a two to four fold decrease in carrier conductance of MoS2 sheets in the presence of line defects as compared to that for the perfect sheet.

Effect of extrusion ratio on the microstructure, texture and mechanical properties of (Mg/AZ91)(m)-SiCp composite

Cast Mg/SiCp and AZ91/SiCp composites were successfully hot extruded vis-a-vis cast and unreinforced Mg and AZ91 alloy up to low (R=15:1) and high (R=54:1) extrusion ratios at 350 degrees C. Significant matrix grain refinement was noticed after extrusion due to dynamic recrystallization; the degree of refinement being relatively higher for the two composites. The AZ91 based materials (AZ91 and AZ91/SiCp) exhibited comparatively finer grain size both in cast condition and after extrusion due to strong pinning effect from alloying elements as well as Mg17Al12 intermetallic phase. Compositional analyses eliminated the possibility of any interfacial reaction between matrix (Mg/AZ91) and second phase reinforcement (SiCp) in case of the composites. Texture evolution shows the formation of < 10 (1) over bar0 >parallel to ED texture fibre for all the materials after extrusion irrespective of SiCp addition or alloying which is primarily due to the deformation of the matrix phase. Micro-hardness did not significantly increased on extrusion in comparison to the respective cast materials for both composites and unreinforced alloys. Dynamic mechanical analysis, however, confirmed that the damping properties were affected by the extrusion ratio and to a lesser extent, due to the presence of second phase at room temperature as well as at higher temperature (300 degrees C). (C) 2014 Elsevier B.V. All rights reserved.

Effect of measurement noise on Granger causality

Most of the signals recorded in experiments are inevitably contaminated by measurement noise. Hence, it is important to understand the effect of such noise on estimating causal relations between such signals. A primary tool for estimating causality is Granger causality. Granger causality can be computed by modeling the signal using a bivariate autoregressive (AR) process. In this paper, we greatly extend the previous analysis of the effect of noise by considering a bivariate AR process of general order p. From this analysis, we analytically obtain the dependence of Granger causality on various noise-dependent system parameters. In particular, we show that measurement noise can lead to spurious Granger causality and can suppress true Granger causality. These results are verified numerically. Finally, we show how true causality can be recovered numerically using the Kalman expectation maximization algorithm.

Effect of oxygen vacancies on the elastic properties of zinc oxide: A first-principles investigation

The effect of oxygen vacancies on the elastic properties of zinc oxide (ZnO) is examined using first-principles calculations based on density functional theory. Formation energies of vacancies in different types of oxygen deficient structures were analyzed to ascertain their stability. This analysis reveals that the doubly-charged oxygen vacancy under zinc-rich growth conditions is the most stable. Results show considerable degradation of some of the elastic moduli due to the presence of oxygen vacancies, which is in agreement with recent experiments. The decrease observed in elastic constants is more pronounced with increase in vacancy concentration. Further, the charge state of the defect structure was found to influence the shear elastic constants. Evaluation of elastic anisotropy of stoichiometric and oxygen deficient ZnO indicates the significant anisotropy in elastic properties and stiff c-axis orientation. (C) 2014 Elsevier B.V. All rights reserved.

Effect of Pt doping on the gas sensing properties of porous chromium oxide films through a kinetic response analysis approach

The effect of doping trace amounts of noblemetals (Pt) on the gas sensing properties of chromium oxide thin films, is studied. The sensors are fabricated by depositing chromium oxide films on a glass substrate using a modified spray pyrolysis technique and characterized using X-ray diffraction, scanning electron microscopy, transmission electron microscopy and X-ray photoelectron spectroscopy. The films are porous and nanocrystalline with an average crystallite size of similar to 30 nm. The typical p-type conductivity arises due to the presence of Cr vacancies, formed as a result of Cr non-stoichiometry, which is found to vary upon Pt doping. In order to analyze the effect of doping on the gas sensing properties, we have adopted a kinetic response analysis approach, which is based on Langmuir Adsorption isotherm (LA) theory. The sensor response is analyzed with equations obtained from LA theory and time constants as well as energies of adsorption-desorption are evaluated. It is seen that, Pt doping lowers the Schottky barrier height of the metal oxide semiconductor sensor from 222 meV to 172 meV. Subsequently the reduction in adsorption and desorption energies led to enhancement in sensor response and improvement in the kinetics of the sensor response i.e. the response time as well as recovery times of the sensor.

Effect of compositional variations on the optical properties of SbxSe60-xS40 thin films

Thin films of SbxSe60-xS40( x= 10, 20, 30, and 40) were deposited by thermal evaporation from the prepared bulk materials on glass substrates held at room temperature. The film compositions were confirmed by using energy dispersive X-ray spectroscopy. X-ray diffraction studies revealed that all the as- deposited films have amorphous structure. The optical constants ( n, k, E-g, E-e, B-1/2) of the films were determined from optical transmittance data, in the spectral range 500-1200 nm, using the Swanepoel method. An analysis of the optical absorption spectra revealed an Urbach's tail in the low absorption region, while in the high absorption region an indirect band gap characterizes the films with different compositions. It was found that the optical band gap energy decreases as the Sb content increases. Finally, in terms of the chemical bond approach, degree of disorderness has been applied to interpret the decrease in the optical gap with increasing Sb content in SbxSe60-xS40 thin films. The changes in X-ray photo electron spectra and Raman shift in the films show compositional dependence. (C) 2015 Elsevier B.V. All rights reserved.

Effect of sputtering parameters on the structure, microstructure and magnetic properties of Tb-Fe films

The effect of sputtering parameters such as gas pressure and power on the structure, microstructure and magnetic properties of sputtered Tb-Fe thin films was investigated. X-ray diffraction and transmission electron microscopy studies showed that all the films were amorphous in nature irrespective of the sputtering parameters. A fine island kind of morphology was observed at low sputtering power whereas large clusters were seen at higher sputtering power. While the composition of Tb-Fe films remained constant with increasing sputtering power, the magnetic behaviour was found to change from superparamagnetic to ferromagnetic. On the other hand, the increase in argon gas pressure was found to deplete the iron concentration in Tb-Fe thin films, which in turn reduced the anisotropy and Curie temperature. Annealing of the films at 773 K did not result in any crystallization and the magnetic properties were also found to remain unchanged. (C) 2015 Elsevier B.V. All rights reserved.