Numerical simulation of solidification of liquid aluminum alloy flowing on cooling slope

Preparation of semisolid slurry using a cooling slope is increasingly becoming popular, primarily because of the simplicity in design and ease control of the process. In this process, liquid alloy is poured down an inclined surface which is cooled from underneath. The cooling enables partial solidification and the incline provides the necessary shear for producing semisolid slurry. However, the final microstructure of the ingot depends on several process parameters such as cooling rate, incline angle of the cooling slope, length of the slope and initial melt superheat. In this work, a CFD model using volume of fluid (VOF) method for simulating flow along the cooling slope was presented. Equations for conservation of mass, momentum, energy and species were solved to predict hydrodynamic and thermal behavior, in addition to predicting solid fraction distribution and macrosegregation. Solidification was modeled using an enthalpy approach and a volume averaged technique for the different phases. The mushy region was modeled as a multi-layered porous medium consisting of fixed columnar dendrites and mobile equiaxed/fragmented grains. The alloy chosen for the study was aluminum alloy A356, for which adequate experimental data were available in the literature. The effects of two key process parameters, namely the slope angle and the pouring temperature, on temperature distribution, velocity distribution and macrosegregation were also studied.

Impurity effects on the critical behaviour of the electrical resistance of binary liquid mixtures

The electrical resistance of the binary liquid system cyclohexane + acetic anhydride is measured, in the critical region, both in the pure mixture and when the mixture is doped with small amounts (≈ 100 ppm) of H2O/D2O impurities.T c was approached to aboutt=3×10−6 wheret=(T −T c )/T c . The critical exponentb ≈ 0.35 in the fit of the resistance data to the equationdR/dT ∼t −b does not seem to be affected appreciably by the impurities. There is a sign reversal ofdR/dt in the non-critical region. Binary liquid systems seem to violate the universality of the critical resistivity.

Polarimetric Signatures in the Stratiform Region of a Mesoscale Convective System

Four polarimetric measurands were collected in the stratiform region of a mesoscale convective system. The four are the reflectivity factor, the differential reflectivity, the correlation coefficient between orthogonal copolar echoes, and the differential propagation constant. Most striking is a signature of large aggregates (about 10 mm in size) seen in the differential phase through the melting layer. Another significant feature is an abrupt notch in the correlation coefficient that occurs towards the bottom of the bright band. Aircraft observations and a one-dimensional cloud model are used to explain some polarimetric measurements and to infer the presence of aggregates, graupel, and supercooled cloud water in the stratiform region. These unique observations and model data provide inferences concerning the presence of graupel and the growth of large aggregates in the melting layer.

Critical exponent of the electrical conductivity in the paracoherence region of a thin film of YBa2Cu3O7?x

Critical exponent of the electrical conductivity in the paracoherence region (gamma) of the high temperature superconductor YBa2Cu3O7-x (YBCO) has been estimated for high quality thin film on ZrO2 substrate prepared by high pressure oxygen sputtering. High energy ion irradiation was carried out using 100 MeV O-16(7+) ions at liquid nitrogen to see the effects of disorder on the value of the exponent. The critical exponent from a value of about 2 to 1.62 upon irradiation. Studies were also carried film to see the effect of ageing and annealing.

Saturated liquid thermal conductivity correlations for some new refrigerants

This paper presents a set of linear equations describing the temperature dependence of the saturated liquid thermal conductivity covering the region of engineering importance for the new hydrofluorocarbons (HFC) 32, 125, 134a, 143a, 152a and hydrochlorofluorocarbons (HCFC) 123, 124, 141b and 142b. Available experimental data in the literature have been considered to arrive at a correlation of the form lambda = A - BT. It is observed that there exists an appreciable discrepancy between various sources of data in spite of the same purity of samples used and the same measurement technique being adopted. The correlations obtained here could be useful in engineering design applications. (C) 1998 John Wiley & Sons, Ltd.

A fixed-grid finite element based enthalpy formulation for generalized phase change problems: role of superficial mushy region

The enthalpy method is primarily developed for studying phase change in a multicomponent material, characterized by a continuous liquid volume fraction (phi(1)) vs temperature (T) relationship. Using the Galerkin finite element method we obtain solutions to the enthalpy formulation for phase change in 1D slabs of pure material, by assuming a superficial phase change region (linear (phi(1) vs T) around the discontinuity at the melting point. Errors between the computed and analytical solutions are evaluated for the fluxes at, and positions of, the freezing front, for different widths of the superficial phase change region and spatial discretizations with linear and quadratic basis functions. For Stefan number (St) varying between 0.1 and 10 the method is relatively insensitive to spatial discretization and widths of the superficial phase change region. Greater sensitivity is observed at St = 0.01, where the variation in the enthalpy is large. In general the width of the superficial phase change region should span at least 2-3 Gauss quadrature points for the enthalpy to be computed accurately. The method is applied to study conventional melting of slabs of frozen brine and ice. Regardless of the forms for the phi(1) vs T relationships, the thawing times were found to scale as the square of the slab thickness. The ability of the method to efficiently capture multiple thawing fronts which may originate at any spatial location within the sample, is illustrated with the microwave thawing of slabs and 2D cylinders. (C) 2002 Elsevier Science Ltd. All rights reserved.

Converging swirling liquid jets from pressure swirl atomizers: Effect of inner air pressure

Converging swirling liquid jets from pressure swirl atomizers injected into atmospheric air are studied experimentally using still and cine photographic techniques in the context of liquid-liquid coaxial swirl atomizers used in liquid rocket engines. The jet exhibits several interesting flow features in contrast to the nonswirling liquid jets (annular liquid jets) studied in the literature. The swirl motion creates multiple converging sections in the jet, which gradually collapse one after the other due to the liquid sheet breakup with increasing Weber number (We). This is clearly related to the air inside the converging jet which exhibits a peculiar variation of the pressure difference across the liquid sheet, DeltaP, with We. The variation shows a decreasing trend of DeltaP with We in an overall sense, but exhibits local maxima and minima at specific flow conditions. The number of maxima or minima observed in the curve depends on the number of converging sections seen in the jet at the lowest We. An interesting feature of this variation is that it delineates the regions of prominent jet flow features like the oscillating jet region, nonoscillating jet region, number of converging sections, and so on. Numerical predictions of the jet characteristics are obtained by modifying an existing nonswirling liquid jet model by including the swirling motion. The comparison between the experimental and numerical measurements shows that the pressure difference across the liquid sheet is important for the jet behavior and cannot be neglected in any theoretical analysis. (C) 2002 American Institute of Physics.

A numerical model of a liquid-feed solid polymer electrolyte DMFC and its experimental validation

A one-dimensional, biphasic, multicomponent steady-state model based on phenomenological transport equations for the catalyst layer, diffusion layer, and polymeric electrolyte membrane has been developed for a liquid-feed solid polymer electrolyte direct methanol fuel cell (SPE- DMFC). The model employs three important requisites: (i) implementation of analytical treatment of nonlinear terms to obtain a faster numerical solution as also to render the iterative scheme easier to converge, (ii) an appropriate description of two-phase transport phenomena in the diffusive region of the cell to account for flooding and water condensation/evaporation effects, and (iii) treatment of polarization effects due to methanol crossover. An improved numerical solution has been achieved by coupling analytical integration of kinetics and transport equations in the reaction layer, which explicitly include the effect of concentration and pressure gradient on cell polarization within the bulk catalyst layer. In particular, the integrated kinetic treatment explicitly accounts for the nonhomogeneous porous structure of the catalyst layer and the diffusion of reactants within and between the pores in the cathode. At the anode, the analytical integration of electrode kinetics has been obtained within the assumption of macrohomogeneous electrode porous structure, because methanol transport in a liquid-feed SPE- DMFC is essentially a single-phase process because of the high miscibility of methanol with water and its higher concentration in relation to gaseous reactants. A simple empirical model accounts for the effect of capillary forces on liquid-phase saturation in the diffusion layer. Consequently, diffusive and convective flow equations, comprising Nernst-Plank relation for solutes, Darcy law for liquid water, and Stefan-Maxwell equation for gaseous species, have been modified to include the capillary flow contribution to transport. To understand fully the role of model parameters in simulating the performance of the DMCF, we have carried out its parametric study. An experimental validation of model has also been carried out. (C) 2003 The Electrochemical Society.

Molecular Dynamics of Thermotropic Liquid Crystals: Anomalous relaxation dynamics of calamitic and discotic liquid crystals

Recent optical kerr effect (OKE) studies have demonstrated that orientational relaxation of rod-like nematogens exhibits temporal power law decay at intermediate times not only near the isotropic–nematic (I–N) phase boundary but also in the nematic phase. Such behaviour has drawn an intriguing analogy with supercooled liquids. We have investigated both collective and single-particle orientational dynamics of a family of model system of thermotropic liquid crystals using extensive computer simulations. Several remarkable features of glassy dynamics are on display including non-exponential relaxation, dynamical heterogeneity, and non-Arrhenius temperature dependence of the orientational relaxation time. Over a temperature range near the I–N phase boundary, the system behaves remarkably like a fragile glass-forming liquid. Using proper scaling, we construct the usual relaxation time versus inverse temperature plot and explicitly demonstrate that one can successfully define a density dependent fragility of liquid crystals. The fragility of liquid crystals shows a temperature and density dependence which is remarkably similar to the fragility of glass forming supercooled liquids. Energy landscape analysis of inherent structures shows that the breakdown of the Arrhenius temperature dependence of relaxation rate occurs at a temperature that marks the onset of the growth of the depth of the potential energy minima explored by the system. A model liquid crystal, consisting of disk-like molecules, has also been investigated in molecular dynamics simulations for orientational relaxation along two isobars starting from the high temperature isotropic phase. The isobars have been so chosen that the phase sequence isotropic (I)–nematic (N)–columnar (C) appears upon cooling along one of them and the sequence isotropic (I)–columnar(C) along the other. While the orientational relaxation in the isotropic phase near the I–N phase transition shows a power law decay at short to intermediate times, such power law relaxation is not observed in the isotropic phase near the I–C phase boundary. The origin of the power law decay in the single-particle second-rank orientational time correlation function (OTCF) is traced to the growth of the orientational pair distribution functions near the I–N phase boundary. As the system settles into the nematic phase, the decay of the single-particle second-rank orientational OTCF follows a pattern that is similar to what is observed with calamitic liquid crystals and supercooled molecular liquids.

Molecular probe dynamics reveals suppression of ice-like regions in strongly confined supercooled water

The structure of the hydrogen bond network is a key element for understanding water's thermodynamic and kinetic anomalies. While ambient water is strongly believed to be a uniform, continuous hydrogen-bonded liquid, there is growing consensus that supercooled water is better described in terms of distinct domains with either a low-density ice-like structure or a high-density disordered one. We evidenced two distinct rotational mobilities of probe molecules in interstitial supercooled water of polycrystalline ice Banerjee D, et al. (2009) ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water. Proc Natl Acad Sci USA 106: 11448-11453]. Here we show that, by increasing the confinement of interstitial water, the mobility of probe molecules, surprisingly, increases. We argue that loose confinement allows the presence of ice-like regions in supercooled water, whereas a tighter confinement yields the suppression of this ordered fraction and leads to higher fluidity. Compelling evidence of the presence of ice-like regions is provided by the probe orientational entropy barrier which is set, through hydrogen bonding, by the configuration of the surrounding water molecules and yields a direct measure of the configurational entropy of the same. We find that, under loose confinement of supercooled water, the entropy barrier surmounted by the slower probe fraction exceeds that of equilibrium water by the melting entropy of ice, whereas no increase of the barrier is observed under stronger confinement. The lower limit of metastability of supercooled water is discussed.

Near infrared detectors based on HgSe and HgCdSe quantum dots generated at the liquid-liquid interface

HgSe and Hg0.5Cd0.5Se quantum dos (QDs) are synthesized at room temperature by a novel liquid-liquid interface method and their photodetection properties in the near-IR region are investigated. The photodetection properties of our Te-free systems are found to be comparable to those of the previously reported high performance QD vis-IR detectors including HgTe. The present synthesis indicates the cost-effectiveness of selenium based IR detectors owing to the abundance and lower toxicity of selenium compared to tellurium.

Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water

The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments. (C) 2014 AIP Publishing LLC.

Variability of cloud liquid water and ice over South Asia from TMI estimates

In this study, the Tropical Rainfall Measurement Mission based Microwave Imager estimates (2A12) have been used to compare and contrast the characteristics of cloud liquid water and ice over the Indian land region and the ocean surrounding it, during the premonsoon (May) and monsoon (June-September) seasons. Based on the spatial homogeneity of rainfall, we have selected five regions for our study (three over ocean, two over land). Comparison across three ocean regions suggests that the cloud liquid water (CLW) over the orographically influenced Arabian Sea (close to the Indian west coast) behaves differently from the CLW over a trapped ocean (Bay of Bengal) or an open ocean (equatorial Indian Ocean). Specifically, the Arabian Sea region shows higher liquid water for a lower range of rainfall, whereas the Bay of Bengal and the equatorial Indian Ocean show higher liquid water for a higher range of rainfall. Apart from geographic differences, we also documented seasonal differences by comparing CLW profiles between monsoon and premonsoon periods, as well as between early and peak phases of the monsoon. We find that the CLW during the lean periods of rainfall (May or June) is higher than during the peak and late monsoon season (July-September) for raining clouds. As active and break phases are important signatures of the monsoon progression, we also analysed the differences in CLW during various phases of the monsoon, namely, active, break, active-to-break and break-to-active transition phases. We find that the cloud liquid water content during the break-to-active transition phase is significantly higher than during the active-to-break transition phase over central India. We speculate that this could be attributed to higher amount of aerosol loading over this region during the break phase. We lend credence to this aerosol-CLW/rain association by comparing the central Indian CLW with that over southeast Asia (where the aerosol loading is significantly smaller) and find that in the latter region, there are no significant differences in CLW during the different phases of the monsoon. While our hypothesis needs to be further investigated with numerical models, the results presented in this study can potentially serve as a good benchmark in evaluating the performance of cloud resolving models over the Indian region.

Gray to transmissive electrochromic switching based on electropolymerized PEDOT-ionic liquid functionalized graphene films

A supporting electrolyte based on lithium perchlorate has been functionalized with graphene (ionic liquid functionalized graphene (IFGR)) by facile electrochemical exfoliation of graphite rods in aq. LiClO4 solution. Poly(3,4-ethylenedioxythiophene) (PEDOT)-IFGR films were prepared by electropolymerization of EDOT monomer with IFGR as supporting electrolyte in ethanol at static potential of 1.5 V. The Raman, SEM, and XPS analysis of PEDOT-IFGR film confirmed the presence of functionalized graphene in the film. The PEDOT-IFGR films showed good electrochemical properties, better ionic and electrical conductivity, significant band gap, and excellent spectroelectrochemical and electrochromic properties. The electrical conductivity of PEDOT-IFGR film was measured as about 3968 S cm(-1). PEDOT-IFGR films at reduced state showed strong and broad absorption in the whole visible region and remarkable absorption at near-IR region. PEDOT-IFGR film showed electrochromic response between transmissive blue and darkish gray at redox potential. The color contrast (%T) between fully reduced and oxidized states of PEDOT-IFGR film is 25 % at lambda (max) of 485 nm. The optical switching stability of PEDOT-IFGR film has retained 80 % of its electroactivity even after 500 cycles.

Modeling of the non-isothermal liquid droplet impact on a heated solid substrate with heterogeneous wettability

A comprehensive numerical investigation on the impingement and spreading of a non-isothermal liquid droplet on a solid substrate with heterogeneous wettability is presented in this work. The time-dependent incompressible Navier-Stokes equations are used to describe the fluid flow in the liquid droplet, whereas the heat transfer in the moving droplet and in the solid substrate is described by the energy equation. The arbitrary Lagrangian-Eulerian (ALE) formulation with finite elements is used to solve the time-dependent incompressible Navier-Stokes equation and the energy equation in the time-dependent moving domain. Moreover, the Marangoni convection is included in the variational form of the Navier-Stokes equations without calculating the partial derivatives of the temperature on the free surface. The heterogeneous wettability is incorporated into the numerical model by defining a space-dependent contact angle. An array of simulations for droplet impingement on a heated solid substrate with circular patterned heterogeneous wettability are presented. The numerical study includes the influence of wettability contrast, pattern diameter, Reynolds number and Weber number on the confinement of the spreading droplet within the inner region, which is more wettable than the outer region. Also, the influence of these parameters on the total heat transfer from the solid substrate to the liquid droplet is examined. We observe that the equilibrium position depends on the wettability contrast and the diameter of the inner surface. Consequently. the heat transfer is more when the wettability contrast is small and/or the diameter of inner region is large. The influence of the Weber number on the total heat transfer is more compared to the Reynolds number, and the total heat transfer increases when the Weber number increases. (C) 2015 Elsevier Ltd. All rights reserved.