High pressure studies on the electrical resistivity of Ge-Te-Tl glasses

The variation of electrical resistivity in the system of glasses Ge17Te83-xTlx, with (1 <= x <= 13), has been studied as a function of high pressure for pressures up to 10 GPa. It is found that the normalized electrical resistivity decreases continuously with the increase in pressure and shows a sudden drop at a particular pressure (transition pressure), indicating the presence of a transition from semiconductor to near-metallic at these pressures which are in the range 3.0-5.0 GPa. This transition pressure is seen to decrease with the increase in the percentage content of thallium due to increasing metallicity of the thallium. The transition is reversible under application of pressure and X-ray diffraction of samples recovered after pressurization show that they remain amorphous after undergoing a pressurization decompression cycle.

Pressure induced manifold enhancement of Li-kinetics in FCC fullerene

The reduction of the diffusion energy barrier for Li in electrodes is one of the required criteria to achieve better performances in Li ion batteries. Using density functional theory based calculations, we report a pressure induced manifold enhancement of Li-kinetics in bulk FCC fullerene. Scanning of the potential energy surface reveals a diffusion path with a low energy barrier of 0.62 eV, which reduces further under the application of hydrostatic pressure. The pressure induced reduction in the diffusion barrier continues till a uniform volume strain of 17.7% is reached. Further enhancement of strain increases the barrier due to the repulsion caused by C-C bond formation between two neighbouring fullerenes. The decrease in the barrier is attributed to the combined effect of charge transfer triggered by the enhanced interaction of Li with the fullerene as well as the change in profile of the local potential, which becomes more attractive for Li. The lowering of the barrier leads to an enhancement of two orders of magnitude in Li diffusivity at room temperature making pressurized bulk fullerene a promising artificial solid electrolyte interface (SEI) for a faster rechargeable battery.

Experimental and theoretical studies on static and dynamic pressure-concentration isotherms of MmNi(5-x)Al(x) (x=0, 0.3, 0.5 and 0.8) hydrides

The static and dynamic pressure concentration isotherms (PCIs) of MmNi(5-x)Al(x). (x = 0, 0.3, 0.5 and 0.8) hydrides were measured at different temperatures using volumetric method. The effect of Al substitution on PCI and thermodynamic properties were studied. The plateau pressure and maximum hydrogen storage capacity decreased with Al content whereas reaction enthalpy increased. The plateau pressure, plateau slope and hysteresis effect was observed more for dynamic PCIs compared to static PCIs. Different mathematical models used for metal hydride-based thermodynamic devices simulation are compared to select suitable model for static and dynamic PCI simulation of MmNi(5)-based hydrides. Few important physical coefficients (partial molar volume, reaction enthalpy, reaction entropy, etc.) useful for development of thermodynamic devices were estimated. A relation has been proposed to correlate aluminium content and physical coefficients for the prediction of unknown PCI. The simulated and experimental PCIs were found matching closely for both static and dynamic conditions. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

Spiral-wave dynamics in ionically realistic mathematical models for human ventricular tissue: the effects of periodic deformation

We carry out an extensive numerical study of the dynamics of spiral waves of electrical activation, in the presence of periodic deformation (PD) in two-dimensional simulation domains, in the biophysically realistic mathematical models of human ventricular tissue due to (a) ten-Tusscher and Panfilov (the TP06 model) and (b) ten-Tusscher, Noble, Noble, and Panfilov (the TNNPO4 model). We first consider simulations in cable-type domains, in which we calculate the conduction velocity theta and the wavelength lambda of a plane wave; we show that PD leads to a periodic, spatial modulation of theta and a temporally periodic modulation of lambda; both these modulations depend on the amplitude and frequency of the PD. We then examine three types of initial conditions for both TP06 and TNNPO4 models and show that the imposition of PD leads to a rich variety of spatiotemporal patterns in the transmembrane potential including states with a single rotating spiral (RS) wave, a spiral-turbulence (ST) state with a single meandering spiral, an ST state with multiple broken spirals, and a state SA in which all spirals are absorbed at the boundaries of our simulation domain. We find, for both TP06 and TNNPO4 models, that spiral-wave dynamics depends sensitively on the amplitude and frequency of PD and the initial condition. We examine how these different types of spiral-wave states can be eliminated in the presence of PD by the application of low-amplitude pulses by square- and rectangular-mesh suppression techniques. We suggest specific experiments that can test the results of our simulations.

Investigations on pressure and thickness profiles in carbon fiber-reinforced polymers during vacuum assisted resin transfer molding

Systematic experiments have been carried out by monitoring the in-situ pressure and thickness profiles for three different configurations, viz., flat plate, flat plate with a central circular hole, and an L-section using vacuum assisted resin transfer molding (VARTM) process. The effect of anisotropy on resin flow has been quantified by considering uni-directional carbon fiber preforms with 0 degrees and 90 degrees orientation to the flow direction for each configuration. A quasi-isotropic 45 degrees/0 degrees/-45 degrees/90 degrees](S) layup has also been included for flat plate case. Additionally, the study has been extended to understand the effect of using high permeability medium for each configuration. Fluid pressure profiles and thickness variation profiles have been obtained using an array of pressure sensors and linear variable differential transformers for each configuration. Experimental data reveal that anisotropy (due to changing fiber orientations), configuration, and gravity significantly change fluid pressure and displacement fields obtained during VARTM.

On flame-turbulence interaction in constant-pressure expanding flames

In this paper we present one of the first high-speed particle image velocimetry measurements to quantify flame-turbulence interaction in centrally-ignited constant-pressure premixed flames expanding in nearisotropic turbulence. Measurements of mean flow velocity and rms of fluctuating flow velocity are provided over a range of conditions both in the presence and absence of the flame. The distributions of stretch rate contributions from different terms such as tangential straining, normal straining and curvature are also provided. It is found that the normal straining displays non-Gaussian pdf tails whereas the tangential straining shows near Gaussian behavior. We have further tracked the motion of the edge points that reside and co-move with the edge of the flame kernel during its evolution in time, and found that within the measurement conditions, on average the persistence time scales of stretch due to pure curvature exceed that due to tangential straining by at least a factor of two. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Pressure-Dependent Optical and Vibrational Properties of Mono layer Molybdenum Disulfide

Controlling the band gap by tuning the lattice structure through pressure engineering is a relatively new route for tailoring the optoelectronic properties of two-dimensional (2D) materials. Here, we investigate the electronic structure and lattice vibrational dynamics of the distorted monolayer 1T-MoS2 (1T') and the monolayer 2H-MoS2 via a diamond anvil cell (DAC) and density functional theory (DFT) calculations. The direct optical band gap of the monolayer 2H-MoS2 increases by 11.7% from 1.85 to 2.08 eV, which is the highest reported for a 2D transition metal dichalcogenide (TMD) material. DFT calculations reveal a subsequent decrease in the band gap with eventual metallization of the monolayer 2H-MoS2, an overall complex structureproperty relation due to the rich band structure of MoS2. Remarkably, the metastable 1T'-MoS2 metallic state remains invariant with pressure, with the J(2), A(1g), and E(2)g modes becoming dominant at high pressures. This substantial reversible tunability of the electronic and vibrational properties of the MoS2 family can be extended to other 2D TMDs. These results present an important advance toward controlling the band structure and optoelectronic properties of monolayer MoS2 via pressure, which has vital implications for enhanced device applications.

Thermally developing combined electroosmotic and pressure-driven flow of nanofluids in a microchannel under the effect of magnetic field

In the present study, the heat transfer characteristics of thermally developing magnetohydroclynamic flow of nanofluid through microchannel are delineated by following a semi analytical approach. The combined influences of pressure driven flow, electroosmotic transport and magnetic field is taken into account for the analysis of the complex microscale thermal transport processes. Solutions for the normalized temperature distributions and the Nusselt number variations, considering the simultaneous interplay of electrokinetic effects (electroosmosis), magnetic effects, Joule heating and viscous dissipation are obtained, for constant wall temperature condition. Particular attention is paid to assess the role of nanolluids in altering the transport phenomena, through variations in the effective nanoparticle volume fractions, as well as the aggregate structure of the particulate phases. It is observed that magnetohydrodynamic effect reduces advective transport of the liquid resulting in gradual reduction of heat transfer. Increase in nanoparticle volume fraction shows decrease in heat transfer. Similar effects are observed with increase in aggregate sizes of the nanoparticles. The effect of the nanofluids on system irreversibility is also studied through entropy generation analysis due to flow and heat transfer in the microchannel. Total entropy generation is found to be dominant at the thermally developing region of the microchannel, whereas it drops sharply at the thermally developed region. Presence of nanoparticles in the base fluid reduces the total entropy generation in the microchannel, thereby indicating decrease in thermodynamic irreversibility with increasing nanoparticle volume fraction. (C) 2014 Elsevier Ltd. All rights reserved.

Fully developed thermal transport in combined pressure and electroosmotically driven flow of nanofluid in a microchannel under the effect of a magnetic field

This paper critically analyzes, for the first time, the effect of nanofluid on thermally fully developed magnetohydrodynamic flows through microchannel, by considering combined effects of externally applied pressure gradient and electroosmosis. The classical boundary condition of uniform wall heat flux is considered, and the effects of viscous dissipation as well as Joule heating have been taken into account. Closed-form analytical expressions for the pertinent velocity and temperature distributions and the Nusselt number variations are obtained, in order to examine the role of nanofluids in influencing the fully developed thermal transport in electroosmotic microflows under the effect of magnetic field. Fundamental considerations are invoked to ascertain the consequences of particle agglomeration on the thermophysical properties of the nanofluid. The present theoretical formalism addresses the details of the interparticle interaction kinetics in tune with the pertinent variations in the effective particulate dimensions, volume fractions of the nanoparticles, as well as the aggregate structure of the particulate system. It is revealed that the inclusion of nanofluid changes the transport characteristics and system irreversibility to a considerable extent and can have significant consequences in the design of electroosmotically actuated microfluidic systems.

Stability of the flow in a soft tube deformed due to an applied pressure gradient

A linear stability analysis is carried out for the flow through a tube with a soft wall in order to resolve the discrepancy of a factor of 10 for the transition Reynolds number between theoretical predictions in a cylindrical tube and the experiments of Verma and Kumaran J. Fluid Mech. 705, 322 (2012)]. Here the effect of tube deformation (due to the applied pressure difference) on the mean velocity profile and pressure gradient is incorporated in the stability analysis. The tube geometry and dimensions are reconstructed from experimental images, where it is found that there is an expansion and then a contraction of the tube in the streamwise direction. The mean velocity profiles at different downstream locations and the pressure gradient, determined using computational fluid dynamics, are found to be substantially modified by the tube deformation. The velocity profiles are then used in a linear stability analysis, where the growth rates of perturbations are calculated for the flow through a tube with the wall modeled as a neo-Hookean elastic solid. The linear stability analysis is carried out for the mean velocity profiles at different downstream locations using the parallel flow approximation. The analysis indicates that the flow first becomes unstable in the downstream converging section of the tube where the flow profile is more pluglike when compared to the parabolic flow in a cylindrical tube. The flow is stable in the upstream diverging section where the deformation is maximum. The prediction for the transition Reynolds number is in good agreement with experiments, indicating that the downstream tube convergence and the consequent modification in the mean velocity profile and pressure gradient could reduce the transition Reynolds number by an order of magnitude.

Pressure-induced structural phase transitions and phonon anomalies in ReO3: Raman and first-principles study

We report high-pressure Raman-scattering studies on single-crystal ReO3 up to 26.9 GPa at room temperature, complemented by first-principles density functional calculations to assign the modes and to develop understanding of the subtle features of the low-pressure phase transition. The pressure (P) dependence of phonon frequencies (omega) reveals three phase transitions at 0.6, 3, and 12.5 GPa with characteristic splitting and changes in the slope of omega(P). Our first-principles theoretical analysis confirms the role of the rotational modes of ReO6, M-3, to the lowest pressure structural transition, and shows that the transition from the Pm3m to the Im3 structure is a weak first-order transition, originating from the strong anharmonic coupling of the M-3 modes with the acoustic modes (strain).

Variation of Electrical Resistivity with High Pressure in Ge-Te-Sn Glasses: A Composition Dependent Study

The variation of normalized electrical resistivity in the system of glasses Ge15Te85-xSnx with (1 <= x <= 5) has been studied as a function of high pressure for pressures up to 9.5 GPa. It is found that with the increase in pressure, the resistivity decreases initially and shows an abrupt fall at a particular pressure, indicating the phase transition from semiconductor to near metallic at these pressures, which lie in the range 1.5-2.5 GPa, and then continues being metallic up to 9.5 GPa. This transition pressure is seen to decrease with the increase in the percentage content of tin due to increasing metallicity of tin. The semiconductor to near metallic transition is exactly reversible and may have its origin in a reduction of the band gap due to high pressure.

A Comparative Study of Early Afterdepolarization-Mediated Fibrillation in Two Mathematical Models for Human Ventricular Cells

Early afterdepolarizations (EADs), which are abnormal oscillations of the membrane potential at the plateau phase of an action potential, are implicated in the development of cardiac arrhythmias like Torsade de Pointes. We carry out extensive numerical simulations of the TP06 and ORd mathematical models for human ventricular cells with EADs. We investigate the different regimes in both these models, namely, the parameter regimes where they exhibit (1) a normal action potential (AP) with no EADs, (2) an AP with EADs, and (3) an AP with EADs that does not go back to the resting potential. We also study the dependence of EADs on the rate of at which we pace a cell, with the specific goal of elucidating EADs that are induced by slow or fast rate pacing. In our simulations in two-and three-dimensional domains, in the presence of EADs, we find the following wave types: (A) waves driven by the fast sodium current and the L-type calcium current (Na-Ca-mediated waves); (B) waves driven only by the L-type calcium current (Ca-mediated waves); (C) phase waves, which are pseudo-travelling waves. Furthermore, we compare the wave patterns of the various wave-types (Na-Ca-mediated, Ca-mediated, and phase waves) in both these models. We find that the two models produce qualitatively similar results in terms of exhibiting Na-Ca-mediated wave patterns that are more chaotic than those for the Ca-mediated and phase waves. However, there are quantitative differences in the wave patterns of each wave type. The Na-Ca-mediated waves in the ORd model show short-lived spirals but the TP06 model does not. The TP06 model supports more Ca-mediated spirals than those in the ORd model, and the TP06 model exhibits more phase-wave patterns than does the ORd model.

Non-invasive pressure monitoring by hoop strain using Fiber Bragg Grating sensor

Non-invasive, real-time dynamic monitoring of pressure inside a column with the aid of Fiber Bragg Grating (FBG) sensor is presented in the present work. A bare FBG sensor is adhered on the circumference of a pressure column normal to its axis, which has the ability to acquire the hoop strain induced by the pressure variation inside the column. Pressure induced hoop strain response obtained using FBG sensor is validated against the pressure measurements obtained from conventional pressure gauge. Further, a protrusion setup on the outer surface of the column has been proposed over which a secondary FBG sensor is bonded normal to its axis, in order to increase the gauge length of this FBG sensor. This is carried out in order to validate the variation in sensitivity of the protrusion bonded FBG sensor compared to the bare FBG sensor bonded over the surface. A comparative study is done between the two FBG sensors and a conventional pressure gauge in order to establish the capacity of FBG sensor obtained hoop strain response for pressure monitoring inside the column.

Ultra-sensitive pressure dependence of bandgap of rutile-GeO2 revealed by many body perturbation theory

The reported values of bandgap of rutile GeO2 calculated by the standard density functional theory within local-density approximation (LDA)/generalized gradient approximation (GGA) show a wide variation (similar to 2 eV), whose origin remains unresolved. Here, we investigate the reasons for this variation by studying the electronic structure of rutile-GeO2 using many-body perturbation theory within the GW framework. The bandgap as well as valence bandwidth at Gamma-point of rutile phase shows a strong dependence on volume change, which is independent of bandgap underestimation problem of LDA/GGA. This strong dependence originates from a change in hybridization among O-p and Ge-(s and p) orbitals. Furthermore, the parabolic nature of first conduction band along X-Gamma-M direction changes towards a linear dispersion with volume expansion. (C) 2015 AIP Publishing LLC.