Detailed investigation of contact deformation in ZrN/Zr multiplayer-understanding the role of volume fraction, bilayer spacing, and morphology of interfaces

A systematic study was done to understand the influence of volume fractions and bilayer spacings for metal/nitride multilayer coating using finite element method (FEM). An axisymmetric model was chosen to model the real situation by incorporating metal and substrate plasticity. Combinations of volume fractions and bilayer spacings were chosen for FEM analysis consistent with experimental results. The model was able to predict trends in cracking with respect to layer spacing and volume fraction. Metal layer plasticity is seen to greatly influence the stress field inside nitride. It is seen that the thicker metal induces higher tensile stresses inside nitride and hence leads to lower cracking loads. Thin metal layers < 10 nm were seen to have curved interfaces, and hence, the deformation mode was interfacial delamination in combination with edge cracking. There is an optimum seen with respect to volume fraction similar to 13% and metal layer thickness similar to 30 nm, which give maximum crack resistance.

Influence of surface area to volume ratio of fuel particles on gasification process in a fixed bed

The paper addresses the effect of particle size on tar generation in a fixed bed gasification system. Pyrolysis, a diffusion limited process, depends on the heating rate and the surface area of the particle influencing the release of the volatile fraction leaving behind residual char. The flaming time has been estimated for different biomass samples. It is found that the flaming time for wood flakes is almost one fourth than that of coconut shells for same equivalent diameter fuel samples. The particle density of the coconut shell is more than twice that of wood spheres, and almost four times compared with wood flakes; having a significant influence on the flaming time. The ratio of the particle surface area to that of an equivalent diameter is nearly two times higher for flakes compared with wood pieces. Accounting for the density effect, on normalizing with density of the particle, the flaming rate is double in the case of wood flakes or coconut shells compared with the wood sphere for an equivalent diameter. This is due to increased surface area per unit volume of the particle. Experiments are conducted on estimation of tar content in the raw gas for wood flakes and standard wood pieces. It is observed that the tar level in the raw gas is about 80% higher in the case of wood flakes compared with wood pieces. The analysis suggests that the time for pyrolysis is lower with a higher surface area particle and is subjected to fast pyrolysis process resulting in higher tar fraction with low char yield. Increased residence time with staged air flow has a better control on residence time and lower tar in the raw gas. (C) 2014 International Energy Initiative. Published by Elsevier Inc. All rights reserved.

Diffusing-wave spectroscopy in an inhomogeneous object: Local viscoelastic spectra from ultrasound-assisted measurement of correlation decay arising from the ultrasound focal volume

We demonstrate diffusing-wave spectroscopy (DWS) in a localized region of a viscoelastically inhomogeneous object by measurement of the intensity autocorrelation g(2)(tau)] that captures only the decay introduced by the temperature-induced Brownian motion in the region. The region is roughly specified by the focal volume of an ultrasound transducer which introduces region specific mechanical vibration owing to insonification. Essential characteristics of the localized non-Markovian dynamics are contained in the decay of the modulation depth M(tau)], introduced by the ultrasound forcing in the focal volume selected, on g(2)(tau). The modulation depth M(tau(i)) at any delay time tau(i) can be measured by short-time Fourier transform of g(2)(tau) and measurement of the magnitude of the spectrum at the ultrasound drive frequency. By following the established theoretical framework of DWS, we are able to connect the decay in M(tau) to the mean-squared displacement (MSD) of scattering centers and the MSD to G*(omega), the complex viscoelastic spectrum. A two-region composite polyvinyl alcohol phantom with different viscoelastic properties is selected for demonstrating local DWS-based recovery of G*(omega) corresponding to these regions from the measured region specific M(tau(i))vs tau(i). The ultrasound-assisted measurement of MSD is verified by simulating, using a generalized Langevin equation (GLE), the dynamics of the particles in the region selected as well as by the usual DWS experiment without the ultrasound. It is shown that whereas the MSD obtained by solving the GLE without the ultrasound forcing agreed with its experimental counterpart covering small and large values of tau, the match was good only in the initial transients in regard to experimental measurements with ultrasound.

A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume

Extensive molecular dynamics studies of 13 different silica polymorphs are reported in the isothermal-isobaric ensemble with the Parrinello-Rahman variable shape simulation cell. The van Beest-Kramer-van Santen (BKS) potential is shown to predict lattice parameters for most phases within 2%-3% accuracy, as well as the relative stabilities of different polymorphs in agreement with experiment. Enthalpies of high-density polymorphs - CaCl2-type, alpha-PbO2-type, and pyrite-type for which no experimental data are available as yet, are predicted here. Further, the calculated enthalpies exhibit two distinct regimes as a function of molar volume-for low and medium-density polymorphs, it is almost independent of volume, while for high-pressure phases a steep dependence is seen. A detailed analysis indicates that the increased short-range contributions to enthalpy in the high-density phases arise not only from an increased coordination number of silicon but also shorter Si-O bond lengths. Our results indicate that amorphous phases of silica exhibit better optimization of short-range interactions than crystalline phases at the same density while the magnitude of Coulombic contributions is lower in the amorphous phase. (C) 2014 AIP Publishing LLC.

Isotropic finite volume discretization

Finite volume methods traditionally employ dimension by dimension extension of the one-dimensional reconstruction and averaging procedures to achieve spatial discretization of the governing partial differential equations on a structured Cartesian mesh in multiple dimensions. This simple approach based on tensor product stencils introduces an undesirable grid orientation dependence in the computed solution. The resulting anisotropic errors lead to a disparity in the calculations that is most prominent between directions parallel and diagonal to the grid lines. In this work we develop isotropic finite volume discretization schemes which minimize such grid orientation effects in multidimensional calculations by eliminating the directional bias in the lowest order term in the truncation error. Explicit isotropic expressions that relate the cell face averaged line and surface integrals of a function and its derivatives to the given cell area and volume averages are derived in two and three dimensions, respectively. It is found that a family of isotropic approximations with a free parameter can be derived by combining isotropic schemes based on next-nearest and next-next-nearest neighbors in three dimensions. Use of these isotropic expressions alone in a standard finite volume framework, however, is found to be insufficient in enforcing rotational invariance when the flux vector is nonlinear and/or spatially non-uniform. The rotationally invariant terms which lead to a loss of isotropy in such cases are explicitly identified and recast in a differential form. Various forms of flux correction terms which allow for a full recovery of rotational invariance in the lowest order truncation error terms, while preserving the formal order of accuracy and discrete conservation of the original finite volume method, are developed. Numerical tests in two and three dimensions attest the superior directional attributes of the proposed isotropic finite volume method. Prominent anisotropic errors, such as spurious asymmetric distortions on a circular reaction-diffusion wave that feature in the conventional finite volume implementation are effectively suppressed through isotropic finite volume discretization. Furthermore, for a given spatial resolution, a striking improvement in the prediction of kinetic energy decay rate corresponding to a general two-dimensional incompressible flow field is observed with the use of an isotropic finite volume method instead of the conventional discretization. (C) 2014 Elsevier Inc. All rights reserved.

Effect of hydrogen on the yielding behavior and shear transformation zone volume in metallic glass ribbons

The effect of hydrogen (H) charging on the shear yield strength (tau(max)) and shear transformation zone volume (Omega) of Ni-Nb-Zr metallic glass ribbons, with varying Zr content, were studied through the first pop-in loads during nanoindentation. Weight gain measurements after H charging and desorption studies were utilized to identify how the total H absorbed during charging is partitioned into mobile and immobile (or trapped) parts. These, in turn, indicate the significant role of H mobility in the amorphous structure on the yielding behavior. In high-Zr alloys, tau(max) increases significantly whereas Omega decreases. In low-Zr alloys, a slight decrease in tau(max) and increase in Omega were noted. These experimental observations are rationalized in terms of the mobility of the absorbed H in the amorphous structure and the possible role of it in the shear transformation zone dynamics during deformation of the metallic glass. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Estimating the volume of glaciers in the Himalayan-Karakoram region using different methods

Ice volume estimates are crucial for assessing water reserves stored in glaciers. Due to its large glacier coverage, such estimates are of particular interest for the Himalayan-Karakoram (HK) region. In this study, different existing methodologies are used to estimate the ice reserves: three area-volume relations, one slope-dependent volume estimation method, and two ice-thickness distribution models are applied to a recent, detailed, and complete glacier inventory of the HK region, spanning over the period 2000-2010 and revealing an ice coverage of 40 775 km(2). An uncertainty and sensitivity assessment is performed to investigate the influence of the observed glacier area and important model parameters on the resulting total ice volume. Results of the two ice-thickness distribution models are validated with local ice-thickness measurements at six glaciers. The resulting ice volumes for the entire HK region range from 2955 to 4737 km(3), depending on the approach. This range is lower than most previous estimates. Results from the ice thickness distribution models and the slope-dependent thickness estimations agree well with measured local ice thicknesses. However, total volume estimates from area-related relations are larger than those from other approaches. The study provides evidence on the significant effect of the selected method on results and underlines the importance of a careful and critical evaluation.

Volume conservation issues in incompressible smoothed particle hydrodynamics

A divergence-free velocity field is usually sought in numerical simulations of incompressible fluids. We show that the particle methods that compute a divergence-free velocity field to achieve incompressibility suffer from a volume conservation issue when a finite time-step position update scheme is used. Further, we propose a deformation gradient based approach to arrive at a velocity field that reduces the volume conservation issues in free surface flows and maintains density uniformity in internal flows while retaining the simplicity of first order time updates. (C) 2015 Elsevier Inc. All rights reserved.

Role of the Molar Volume on Estimated Diffusion Coefficients

The role of the molar volume on the estimated diffusion parameters has been speculated for decades. The Matano-Boltzmann method was the first to be developed for the estimation of the variation of the interdiffusion coefficients with composition. However, this could be used only when the molar volume varies ideally or remains constant. Although there are no such systems, this method is still being used to consider the ideal variation. More efficient methods were developed by Sauer-Freise, Den Broeder, and Wagner to tackle this problem. However, there is a lack of research indicating the most efficient method. We have shown that Wagner's method is the most suitable one when the molar volume deviates from the ideal value. Similarly, there are two methods for the estimation of the ratio of intrinsic diffusion coefficients at the Kirkendall marker plane proposed by Heumann and van Loo. The Heumann method, like the Matano-Boltzmann method, is suitable to use only when the molar volume varies more or less ideally or remains constant. In most of the real systems, where molar volume deviates from the ideality, it is safe to use the van Loo method. We have shown that the Heumann method introduces large errors even for a very small deviation of the molar volume from the ideal value. On the other hand, the van Loo method is relatively less sensitive to it. Overall, the estimation of the intrinsic diffusion coefficient is more sensitive than the interdiffusion coefficient.

Mechanism of improvement in the strength and volume change behavior of lime stabilized soil

An attempt has been made to bring out the influence on strength and volume change behavior of fabric changes and new cementitious compound formation in a soil upon addition of various lime contents and with curing periods. The effects of changes in fabric of treatment with various lime contents (0, 2,4 and 6%) and with curing periods (0, 7, 14 and 28 days) have been evaluated by one-dimensional consolidation tests, in terms of void ratio changes and compressibility. The strength of soil treated with different lime contents with curing periods up to 28 days, and with the optimum lime content of 6% up to one year has been determined by unconfined compression tests. Comparison of effects of lime on the strength and volume change behavior of the soil brings out that the formation of flocculated fabric and cation exchange significantly reduces the compressibility of soil but marginally increases the strength. Cementation of soil particles and filling with cementitious compounds of the voids of flocculated fabric in the soil marginally reduces the compressibility but significantly increases the strength. Thus, the mechanism of volume change behavior of soil treated with lower lime content at short curing periods is distinctly different from that of the soil treated with optimum lime content at longer curing periods. This is consistent with the increase in the permeability caused by the addition from 2 to 4% lime and the decrease following the addition of 6% lime. Changes consistent with mechanical behavior have been determined by scanning electron microscope, X-ray diffraction and thermal analyses, energy dispersive X-ray spectrometer and pH value in microstructure, mineralogy, chemical composition and alkalinity, respectively. (C) 2015 Published by Elsevier B.V.

Volume change behavior of lime treated gypseous soil - influence of mineralogy and microstructure

Series of oedometer tests and micro-analytical studies (XRD, SEM and EDAX) have been carried out to investigate the influence of varying gypsum content on swell, compressibility and permeability of lime treated montmorillonitic soil after curing for different period. Immediate swell is observed on inundation of compacted samples with water and continuously increased with gypsum content. However, changes in swell are found to be marginal with curing. This is attributed to the formation and growth of ettringite crystals by ionic reactions of aluminum calcium-sulfate in the presence of water which is confirmed through detailed micro-analysis. The higher swell in uncured specimens and gradual reduction in swell with increase in curing periods are due to relative dominance of formation and growth of ettringite and cementitious compounds, respectively. Also, the ionic reaction products are found to bear a significant influence on the compressibility and permeability behavior. (C) 2015 Elsevier B.V. All rights reserved.

Limited-view light sheet fluorescence microscopy for three dimensional volume imaging

We propose and demonstrate a limited-view light sheet microscopy (LV-LSM) for three dimensional (3D) volume imaging. Realizing that longer and frequent image acquisition results in significant photo-bleaching, we have taken limited angular views (18 views) of the macroscopic specimen and integrated with maximum likelihood (ML) technique for reconstructing high quality 3D volume images. Existing variants of light-sheet microscopy require both rotation and translation with a total of approximately 10-fold more views to render a 3D volume image. Comparatively, LV-LSM technique reduces data acquisition time and consequently minimizes light-exposure by many-folds. Since ML is a post-processing technique and highly parallelizable, this does not cost precious imaging time. Results show noise-free and high contrast volume images when compared to the state-of-the-art selective plane illumination microscopy. (C) 2015 AIP Publishing LLC.