Numerical modeling of the non-isothermal liquid droplet impact on a hot solid substrate

The heat transfer from a solid phase to an impinging non-isothermal liquid droplet is studied numerically. A new approach based on an arbitrary Lagrangian-Eulerian (ALE) finite element method for solving the incompressible Navier Stokes equations in the liquid and the energy equation within the solid and the liquid is presented. The novelty of the method consists in using the ALE-formulation also in the solid phase to guarantee matching grids along the liquid solid interface. Moreover, a new technique is developed to compute the heat flux without differentiating the numerical solution. The free surface and the liquid solid interface of the droplet are represented by a moving mesh which can handle jumps in the material parameter and a temperature dependent surface tension. Further, the application of the Laplace-Beltrami operator technique for the curvature approximation allows a natural inclusion of the contact angle. Numerical simulation for varying Reynold, Weber, Peclet and Biot numbers are performed to demonstrate the capabilities of the new approach. (C) 2014 Elsevier Ltd. All rights reserved.

Fracture behavior of magnesium alloys - Role of tensile twinning

In this work, Mode-I fracture experiments are conducted using notched compact tension specimens machined from a rolled AZ31 Mg alloy plate having near-basal texture with load applied along rolling direction (RD) and transverse direction (TD). Moderately high notched fracture toughness of J(C) similar to 46 N/mm is obtained in both RD and TD specimens. Fracture surface shows crack tunneling at specimen mid-thickness and extensive shear lips near the free surface. Dimples are observed from SEM fractographs suggesting ductile fracture. EBSD analysis shows profuse tensile twinning in the ligament ahead of the notch. It is shown that tensile twinning plays a dual role in enhancing the toughness in the notched fracture specimens with reduced triaxiality. It provides significant dissipation in the background plastic zone and imparts hardening to the material surrounding the fracture process zone via operation of several mechanisms which retards micro-void growth and coalescence. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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.

EFFECT OF PLUME DYNAMICS FOR HEAT TRANSFER ENHANCEMENT AT SOLID-LIQUID INTERFACE

The present paper analyzes the effects of plumes for heat transfer enhancement at solid-liquid interface taking both smooth and grooved surfaces. The experimental setup consists of a tank of dimensions 265 x 265 x 300 (height) containing water. The bottom surface was heated and free surface of the water was left open to the ambient. In the experiments, the bottom plate had either a smooth surface or a grooved surface. We used 90 V-grooved rough surfaces with two groove heights, 10mm and 3mm. The experiment was done with water layer depths of 90mm and 140mm, corresponding to values of aspect ratio(AR) equal to 2.9 and 1.8 respectively. Thymol blue, a pH sensitive dye, was used to visualize the flow near the heated plate. The measured heat transfer coefficients over the grooved surfaces were higher compared that over the smooth surface. The enhanced heat transport in the rough cavities cannot be ascribed to the increase in the contact area, rather it must be the local dynamics of the thermal boundary layer that changes the heat transport over the rough surface.

Kinematic flow patterns in slow deformation of a dense granular material

The kinematic flow pattern in slow deformation of a model dense granular medium is studied at high resolution using in situ imaging, coupled with particle tracking. The deformation configuration is indentation by a flat punch under macroscopic plane-strain conditions. Using a general analysis method, velocity gradients and deformation fields are obtained from the disordered grain arrangement, enabling flow characteristics to be quantified. The key observations are the formation of a stagnation zone, as in dilute granular flow past obstacles; occurrence of vortices in the flow immediately underneath the punch; and formation of distinct shear bands adjoining the stagnation zone. The transient and steady state stagnation zone geometry, as well as the strength of the vortices and strain rates in the shear bands, are obtained from the experimental data. All of these results are well-reproduced in exact-scale non-smooth contact dynamics simulations. Full 3D numerical particle positions from the simulations allow extraction of flow features that are extremely difficult to obtain from experiments. Three examples of these, namely material free surface evolution, deformation of a grain column below the punch and resolution of velocities inside the primary shear band, are highlighted. The variety of flow features observed in this model problem also illustrates the difficulty involved in formulating a complete micromechanical analytical description of the deformation.

Simulations of impinging droplets with surfactant-dependent dynamic contact angle

An arbitrary Lagrangian-Eulerian (ALE) finite element scheme for computations of soluble surfactant droplet impingement on a horizontal surface is presented. The numerical scheme solves the time-dependent Navier-Stokes equations for the fluid flow, scalar convection-diffusion equation for the surfactant transport in the bulk phase, and simultaneously, surface evolution equations for the surfactants on the free surface and on the liquid-solid interface. The effects of surfactants on the flow dynamics are included into the model through the surface tension and surfactant-dependent dynamic contact angle. In particular, the dynamic contact angle (theta(d)) of the droplet is defined as a function of the surfactant concentration at the contact line and the equilibrium contact angle (theta(0)(e)) of the clean surface using the nonlinear equation of state for surface tension. Further, the surface forces are included into the model as surface divergence of the surface stress tensor that allows to incorporate the Marangoni effects without calculating the surface gradient of the surfactant concentration on the free surface. In addition to a mesh convergence study and validation of the numerical results with experiments, the effects of adsorption and desorption surfactant coefficients on the flow dynamics in wetting, partially wetting and non-wetting droplets are studied in detail. It is observed that the effects of surfactants are more in wetting droplets than in the non-wetting droplets. Further, the presence of surfactants at the contact line reduces the equilibrium contact angle further when theta(0)(e) is less than 90 degrees, and increases it further when theta(0)(e) is greater than 90 degrees. Nevertheless, the presence of surfactants has no effect on the contact angle when theta(0)(e) = 90 degrees. The numerical study clearly demonstrates that the surfactant-dependent contact angle has to be considered, in addition to the Marangoni effect, in order to study the flow dynamics and the equilibrium states of surfactant droplet impingement accurately. The proposed numerical scheme guarantees the conservation of fluid mass and of the surfactant mass accurately. (C) 2015 Elsevier Inc. All rights reserved.

Investigation of Annealing Induced Yttria Segregation in Sputtered Yttria-Stabilized Zirconia Thin Films

8mol% yttria-stabilized zirconia (8YSZ) is an extensively studied solid electrolyte. But there is no consistency in the reported ionic conductivity values of 8YSZ thin films. Interfacial segregation in YSZ thin films can affect its ionic conductivity by locally altering the surface chemistry. This article presents the effects of annealing temperature and film thickness on free surface yttria segregation behavior in 8YSZ thin film by Angle Resolved XPS and its influence on the ionic conductivity of sputtered 8YSZ thin films. Surface yttria concentration of about 32, 20, and 9mol% have been found in 40nm 8YSZ films annealed at 1273, 1173, and 1073K, respectively. Yttria segregation is found to increase with increase in annealing temperature and film thickness. Ionic conductivities of 0.23, 0.16, and 0.08Scm(-1) are observed at 923K for 40nm 8YSZ films annealed at 1073, 1173, and 1273K, respectively. The decrease in conductivity with increase in annealing temperature is attributed to the increased yttria segregation with annealing. Neither segregation nor film thickness is found to affect the activation energy of oxygen ion conduction. Target purity is found to play a key role in determining free surface yttria segregation in 8YSZ thin films.

Time-dependent nanoscale plasticity in nanocrystalline nickel rods and tubes

Time-dependent nanoscale plasticity of nanocrystalline nickel at room temperature was critically explored through a series of micropillar creep and quasi-static compression experiments on rod and tube specimens fabricated by electron beam lithography and electroplating. Enhanced creep rates in tubes as compared to rods, establishes the facilitating role played by the free surface in time-dependent deformation. Creep stress exponent, n, and strain-rate sensitivity, m, were compared to examine connections between creep and the rate-dependent plasticity, if any. (C) 2015 Elsevier Ltd. All rights reserved.

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.

An alternative approach to study nonlinear inviscid flow over arbitrary bottom topography

This paper deals with a new approach to study the nonlinear inviscid flow over arbitrary bottom topography. The problem is formulated as a nonlinear boundary value problem which is reduced to a Dirichlet problem using certain transformations. The Dirichlet problem is solved by applying Plemelj-Sokhotski formulae and it is noticed that the solution of the Dirichlet problem depends on the solution of a coupled Fredholm integral equation of the second kind. These integral equations are solved numerically by using a modified method. The free-surface profile which is unknown at the outset is determined. Different kinds of bottom topographies are considered here to study the influence of bottom topography on the free-surface profile. The effects of the Froude number and the arbitrary bottom topography on the free-surface profile are demonstrated in graphical forms for the subcritical flow. Further, the nonlinear results are validated with the results available in the literature and compared with the results obtained by using linear theory. (C) 2015 Elsevier Inc. All rights reserved.

In-situ study of microscale fracture of diffusion aluminide bond coats: Effect of platinum

The influence of Pt layer thickness on the fracture behavior of PtNiAl bond coats was studied in situ using clamped micro-beam bend tests inside a scanning electron microscope (SEM). Clamped beam bending is a fairly well established micro-scale fracture test geometry that has been previously used in determination of fracture toughness of Si and PtNiAl bond coats. The increasing amount of Pt in the bond coat matrix was accompanied by several other microstructural changes such as an increase in the volume fraction of alpha-Cr precipitate particles in the coating as well as a marginal decrease in the grain size of the matrix. In addition, Pt alters the defect chemistry of the B2-NiAl structure, directly affecting its elastic properties. A strong correlation was found between the fracture toughness and the initial Pt layer thickness associated with the bond coat. As the Pt layer thickness was increased from 0 to 5 mu m, resulting in increasing Pt concentration from 0 to 14.2 at.% in the B2-NiAl matrix and changing alpha-Cr precipitate fraction, the initiation fracture toughness (K-IC) was seen to rise from 6.4 to 8.5 MPa.m(1/2). R-curve behavior was observed in these coatings, with K-IC doubling for a crack propagation length of 2.5 mu m. The reasons for the toughening are analyzed to be a combination of material's microstructure (crack kinking and bridging due to the precipitates) as well as size effects, as the crack approaches closer to the free surface in a micro-scale sample.

Material processing and surface reaction studies in free piston driven shock tube

Recently established moderate size free piston driven hypersonic shock tunnel HST3 along with its calibration is described here. The extreme thermodynamic conditions prevalent behind the reflected shock wave have been utilized to study the catalytic and non-catalytic reactions of shock heated test gases like Ar, N2 or O2 with different material like C60 carbon, zirconia and ceria substituted zirconia. The exposed test samples are investigated using different experimental methods. These studies show the formation of carbon nitride due to the non-catalytic interaction of shock heated nitrogen gas with C60 carbon film. On the other hand, the ZrO2 undergoes only phase transformation from cubic to monoclinic structure and Ce0.5Zr0.5O2 in fluorite cubic phase changes to pyrochlore (Ce2Zr2O7±δ) phase by releasing oxygen from the lattice due to heterogeneous catalytic surface reaction.

Free convection heat transfer from vertical cylinders part I: Power law surface temperature variation

This paper reports on the investigations of laminar free convection heat transfer from vertical cylinders and wires whose surface temperature varies along the height according to the relation TW - T∞ = Nxn. The set of boundary layer partial differential equations and the boundary conditions are transformed to a more amenable form and solved by the process of successive substitution. Numerical solutions of the first approximated equations (two-point nonlinear boundary value type of ordinary differential equations) bring about the major contribution to the problem (about 95%), as seen from the solutions of higher approximations. The results reduce to those for the isothermal case when n=0. Criteria for classifying the cylinders into three broad categories, viz., short cylinders, long cylinders and wires, have been developed. For all values of n the same criteria hold. Heat transfer correlations obtained for short cylinders (which coincide with those of flat plates) are checked with those available in the literature. Heat transfer and fluid flow correlations are developed for all the regimes.

Free convection heat transfer from vertical cylinders part II: Exponential surface temperature variation

Investigation on laminar free convection heat transfer from vertical cylinders and wires having a surface temperature variation of the form TW - T∞ = M emx are presented. As in Part I for power law surface temperature variation, the axisymmetric boundary layer equations of mass, momentum and energy are transformed to more convenient forms and solved numerically. The second approximation refines the results of the first upto a maximum of only 2%. Analysis of the results indicates that cylinders can be classified into the same three categories as in Part I, namely, short cylinders, long cylinders, and wires, heat transfer and fluid flow correlations being developed for each case.

Temperature dependent free energy surface of polymer folding from equilibrium and quench studies

Langevin dynamics simulation studies have been employed to calculate the temperature dependent free energy surface and folding characteristics of a 500 monomer long linear alkane (polyethylene) chain with a realistic interaction potential. Both equilibrium and temperature quench simulation studies have been carried out. Using the shape anisotropy parameter (S) of the folded molecule as the order parameter, we find a weakly first order phase transition between the high-temperature molten globule and low-temperature rodlike crystalline states separated by a small barrier of the order of k(B)T. Near the melting temperature (580 K), we observe an intriguing intermittent fluctuation with pronounced ``1/f noise characteristics'' between these two states with large difference in shape and structure. We have also studied the possibilities of different pathways of folding to states much below the melting point. At 300 K starting from the all-trans linear configuration, the chain folds stepwise into a very regular fourfold crystallite with very high shape anisotropy. Whereas, when quenched from a high temperature (900 K) random coil regime, we identify a two step transition from the random coiled state to a molten globulelike state and, further, to a anisotropic rodlike state. The trajectory reveals an interesting coupling between the two order parameters, namely, radius of gyration (R-g) and the shape anisotropy parameter (S). The rodlike final state of the quench trajectory is characterized by lower shape anisotropy parameter and significantly larger number of gauche defects as compared to the final state obtained through equilibrium simulation starting from all-trans linear chain. The quench study shows indication of a nucleationlike pathway from the molten globule to the rodlike state involving an underlying rugged energy landscape. (C) 2010 American Institute of Physics. doi:10.1063/1.3509398]