High-temperature kinetics of the reaction between CN and hydrocarbons using a novel high-enthalpy flow tube

More than 70 molecules of varied nature have been identified in the envelopes of carbon-rich stars through their spectral fingerprints in the microwave or far infrared regions. Many of them are carbon chain molecules and radicals, and a significant number are unique to the circumstellar medium. The determination of relevant laboratory kinetics data is critical to keep up with the development of the high spectral and spatial resolution observations and of the refinement of chemical models. Neutralneutral reactions of the CN radical with unsaturated hydrocarbons could be a dominant route in the formation of cyanopolyynes, even at low temperatures and deserve a detailed laboratory investigation. The approach we have developed aims to bridge the temperature gap between resistively heated flow tubes and shock tubes. The present kinetic measurements are obtained using a new reactor combining a high-enthalpy source with a flow tube and a pulsed laser photolysislaser-induced fluorescence system to probe the undergoing chemical reactions. The high-enthalpy flow tube has been used to measure the rate constant of the reaction of the CN radical with propane (C3H8), propene (C3H6), allene (C3H4), 1,3-butadiene (1,3-C4H6), and 1-butyne (C4H6) over a temperature range extending from 300 to 1200 K. All studied reactions of CN with unsaturated hydrocarbons are rapid, with rate coefficients greater than 10-10 cm3 center dot molecule-1 center dot s-1 and exhibit slight negative temperature dependence above room temperature. (c) 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 753766, 2012

Nodal length fluctuations for arithmetic random waves

Using the spectral multiplicities of the standard torus, we endow the Laplace eigenspaces with Gaussian probability measures. This induces a notion of random Gaussian Laplace eigenfunctions on the torus (''arithmetic random waves''). We study the distribution of the nodal length of random eigenfunctions for large eigenvalues, and our primary result is that the asymptotics for the variance is nonuniversal. Our result is intimately related to the arithmetic of lattice points lying on a circle with radius corresponding to the energy.

On the dynamic contact angle in simulation of impinging droplets with sharp interface methods

Effects of dynamic contact angle models on the flow dynamics of an impinging droplet in sharp interface simulations are presented in this article. In the considered finite element scheme, the free surface is tracked using the arbitrary Lagrangian-Eulerian approach. The contact angle is incorporated into the model by replacing the curvature with the Laplace-Beltrami operator and integration by parts. Further, the Navier-slip with friction boundary condition is used to avoid stress singularities at the contact line. Our study demonstrates that the contact angle models have almost no influence on the flow dynamics of the non-wetting droplets. In computations of the wetting and partially wetting droplets, different contact angle models induce different flow dynamics, especially during recoiling. It is shown that a large value for the slip number has to be used in computations of the wetting and partially wetting droplets in order to reduce the effects of the contact angle models. Among all models, the equilibrium model is simple and easy to implement. Further, the equilibrium model also incorporates the contact angle hysteresis. Thus, the equilibrium contact angle model is preferred in sharp interface numerical schemes.

Modeling the vulnerability of an urban groundwater system due to the combined impacts of climate change and management scenarios

Climate change impact on a groundwater-dependent small urban town has been investigated in the semiarid hard rock aquifer in southern India. A distributed groundwater model was used to simulate the groundwater levels in the study region for the projected future rainfall (2012-32) obtained from a general circulation model (GCM) to estimate the impacts of climate change and management practices on groundwater system. Management practices were based on the human-induced changes on the urban infrastructure such as reduced recharge from the lakes, reduced recharge from water and wastewater utility due to an operational and functioning underground drainage system, and additional water extracted by the water utility for domestic purposes. An assessment of impacts on the groundwater levels was carried out by calibrating a groundwater model using comprehensive data gathered during the period 2008-11 and then simulating the future groundwater level changes using rainfall from six GCMs Institute of Numerical Mathematics Coupled Model, version 3.0 (INM-CM. 3.0); L'Institut Pierre-Simon Laplace Coupled Model, version 4 (IPSL-CM4); Model for Interdisciplinary Research on Climate, version 3.2 (MIROC3.2); ECHAM and the global Hamburg Ocean Primitive Equation (ECHO-G); Hadley Centre Coupled Model, version 3 (HadCM3); and Hadley Centre Global Environment Model, version 1 (HadGEM1)] that were found to show good correlation to the historical rainfall in the study area. The model results for the present condition indicate that the annual average discharge (sum of pumping and natural groundwater outflow) was marginally or moderately higher at various locations than the recharge and further the recharge is aided from the recharge from the lakes. Model simulations showed that groundwater levels were vulnerable to the GCM rainfall and a scenario of moderate reduction in recharge from lakes. Hence, it is important to sustain the induced recharge from lakes by ensuring that sufficient runoff water flows to these lakes.

Analytical solutions for movement of cold water thermal front in a heterogeneous geothermal reservoir

In the present study an analytical model has been presented to describe the transient temperature distribution and advancement of the thermal front generated due to the reinjection of heat depleted water in a heterogeneous geothermal reservoir. One dimensional heat transport equation in porous media with advection and longitudinal heat conduction has been solved analytically using Laplace transform technique in a semi infinite medium. The heterogeneity of the porous medium is expressed by the spatial variation of the flow velocity and the longitudinal effective thermal conductivity of the medium. A simpler solution is also derived afterwards neglecting the longitudinal conduction depending on the situation where the contribution to the transient heat transport phenomenon in the porous media is negligible. Solution for a homogeneous aquifer with constant values of the rock and fluid parameters is also derived with an aim to compare the results with that of the heterogeneous one. The effect of some of the parameters involved, on the transient heat transport phenomenon is assessed by observing the variation of the results with different magnitudes of those parameters. Results prove the heterogeneity of the medium, the flow velocity and the longitudinal conductivity to have great influence and porosity to have negligible effect on the transient temperature distribution. (C) 2013 Elsevier Inc. All rights reserved.

Analytical solutions for transient temperature distribution in a geothermal reservoir due to cold water injection

An analytical solution to describe the transient temperature distribution in a geothermal reservoir in response to injection of cold water is presented. The reservoir is composed of a confined aquifer, sandwiched between rocks of different thermo-geological properties. The heat transport processes considered are advection, longitudinal conduction in the geothermal aquifer, and the conductive heat transfer to the underlying and overlying rocks of different geological properties. The one-dimensional heat transfer equation has been solved using the Laplace transform with the assumption of constant density and thermal properties of both rock and fluid. Two simple solutions are derived afterwards, first neglecting the longitudinal conductive heat transport and then heat transport to confining rocks. Results show that heat loss to the confining rock layers plays a vital role in slowing down the cooling of the reservoir. The influence of some parameters, e.g. the volumetric injection rate, the longitudinal thermal conductivity and the porosity of the porous media, on the transient heat transport phenomenon is judged by observing the variation of the transient temperature distribution with different values of the parameters. The effects of injection rate and thermal conductivity have been found to be profound on the results.

Frequency Domain Based Solution for Certain Class of Wave Equations: An exhaustive study of Numerical Solutions

The paper discusses the frequency domain based solution for a certain class of wave equations such as: a second order partial differential equation in one variable with constant and varying coefficients (Cantilever beam) and a coupled second order partial differential equation in two variables with constant and varying coefficients (Timoshenko beam). The exact solution of the Cantilever beam with uniform and varying cross-section and the Timoshenko beam with uniform cross-section is available. However, the exact solution for Timoshenko beam with varying cross-section is not available. Laplace spectral methods are used to solve these problems exactly in frequency domain. The numerical solution in frequency domain is done by discretisation in space by approximating the unknown function using spectral functions like Chebyshev polynomials, Legendre polynomials and also Normal polynomials. Different numerical methods such as Galerkin Method, Petrov- Galerkin method, Method of moments and Collocation method or the Pseudo-spectral method in frequency domain are studied and compared with the available exact solution. An approximate solution is also obtained for the Timoshenko beam with varying cross-section using Laplace Spectral Element Method (LSEM). The group speeds are computed exactly for the Cantilever beam and Timoshenko beam with uniform cross-section and is compared with the group speeds obtained numerically. The shear mode and the bending modes of the Timoshenko beam with uniform cross-section are separated numerically by applying a modulated pulse as the shear force and the corresponding group speeds for varying taper parameter in are obtained numerically by varying the frequency of the input pulse. An approximate expression for calculating group speeds corresponding to the shear mode and the bending mode, and also the cut-off frequency is obtained. Finally, we show that the cut-off frequency disappears for large in, for epsilon > 0 and increases for large in, for epsilon < 0.

A spectral multiscale method for wave propagation analysis: Atomistic-continuum coupled simulation

In this paper, we present a new multiscale method which is capable of coupling atomistic and continuum domains for high frequency wave propagation analysis. The problem of non-physical wave reflection, which occurs due to the change in system description across the interface between two scales, can be satisfactorily overcome by the proposed method. We propose an efficient spectral domain decomposition of the total fine scale displacement along with a potent macroscale equation in the Laplace domain to eliminate the spurious interfacial reflection. We use Laplace transform based spectral finite element method to model the macroscale, which provides the optimum approximations for required dynamic responses of the outer atoms of the simulated microscale region very accurately. This new method shows excellent agreement between the proposed multiscale model and the full molecular dynamics (MD) results. Numerical experiments of wave propagation in a 1D harmonic lattice, a 1D lattice with Lennard-Jones potential, a 2D square Bravais lattice, and a 2D triangular lattice with microcrack demonstrate the accuracy and the robustness of the method. In addition, under certain conditions, this method can simulate complex dynamics of crystalline solids involving different spatial and/or temporal scales with sufficient accuracy and efficiency. (C) 2014 Elsevier B.V. All rights reserved.

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.

Multi-transform based spectral element to include first order shear deformation in plates

For obtaining dynamic response of structure to high frequency shock excitation spectral elements have several advantages over conventional methods. At higher frequencies transverse shear and rotary inertia have a predominant role. These are represented by the First order Shear Deformation Theory (FSDT). But not much work is reported on spectral elements with FSDT. This work presents a new spectral element based on the FSDT/Mindlin Plate Theory which is essential for wave propagation analysis of sandwich plates. Multi-transformation method is used to solve the coupled partial differential equations, i.e., Laplace transforms for temporal approximation and wavelet transforms for spatial approximation. The formulation takes into account the axial-flexure and shear coupling. The ability of the element to represent different modes of wave motion is demonstrated. Impact on the derived wave motion characteristics in the absence of the developed spectral element is discussed. The transient response using the formulated element is validated by the results obtained using Finite Element Method (FEM) which needs significant computational effort. Experimental results are provided which confirms the need to having the developed spectral element for the high frequency response of structures. (C) 2015 Elsevier Ltd. All rights reserved.

Dynamic behavior of a cylindrical crack in a functionally graded interlayer under torsional loading

In this paper the problem of a cylindrical crack located in a functionally graded material (FGM) interlayer between two coaxial elastic dissimilar homogeneous cylinders and subjected to a torsional impact loading is considered. The shear modulus and the mass density of the FGM interlayer are assumed to vary continuously between those of the two coaxial cylinders. This mixed boundary value problem is first reduced to a singular integral equation with a Cauchy type kernel in the Laplace domain by applying Laplace and Fourier integral transforms. The singular integral equation is then solved numerically and the dynamic stress intensity factor (DSIF) is also obtained by a numerical Laplace inversion technique. The DSIF is found to rise rapidly to a peak and then reduce and tend to the static value almost without oscillation. The influences of the crack location, the FGM interlayer thickness and the relative magnitudes of the adjoining material properties are examined. It is found among others that, by increasing the FGM gradient, the DSIF can be greatly reduced.

黏弹性体界面裂纹的冲击响应

研究两半无限大黏弹性体界面Griffith裂纹在反平面剪切突加载荷下，裂纹尖端动应力强度因子的时间响应。首先，运用积分变换方法将黏弹性混合边值问题化成变换域上的对偶积分方程。通过引入裂纹位错密度函数进一步化成Cauchy型奇异积分方程。运用分片连续函数法数值求解奇异积分方程，得到变换域内的动应力强度因子。再用Laplace积分变换数值反演方法，将变换域的解反演到时间域内，最终求得动应力强度因子的时间响应，并对黏弹性参数的影响进行了分析。

粘弹性力学的对应原理及其数值反演方法

结合国内外的研究成果，就粘弹性力学中存在的各种对应原理及数值反演方法进行了归类和总结。结合在求解粘弹性边值问题中的应用，对各类方法的特点进行了评述，并指出存在的问题及发展新的数值方法的研究重点。

The effect of nucleation time on the growth of a microvoid in a viscoelastic material

In this paper, discussions are focused on the growth of a nucleated void in a viscoelastic material. The in situ tensile tests of specimens made of high-density polyethylene, filled with spherical glass beads (HDPE/GB) are carried out under SEM. The experimental result indicates that the microvoid nucleation is induced by the partially interfacial debonding of particles. By means of the Laplace transform and the Eshelby's equivalent inclusion method, a new analytical expression of the void strain at different nucleation times is derived. It can be seen that the strain of the nucleated void depends not only on the remote strain history, but also on the nucleation time. This expression is also illustrated by numerical examples, and is found to be of great usefulness in the study of damage evolution in viscoelastic materials.

Diffusive Wave Solutions for Open Channel Flows with Uniform and Concentrated Lateral Inflow

The diffusive wave equation with inhomogeneous terms representing hydraulics with uniform or concentrated lateral inflow intoa river is theoretically investigated in the current paper. All the solutions have been systematically expressed in a unified form interms of response function or so called K-function. The integration of K-function obtained by using Laplace transform becomesS-function, which is examined in detail to improve the understanding of flood routing characters. The backwater effects usuallyresulting in the discharge reductions and water surface elevations upstream due to both the downstream boundary and lateral infloware analyzed. With a pulse discharge in upstream boundary inflow, downstream boundary outflow and lateral inflow respectively,hydrographs of a channel are routed by using the S-functions. Moreover, the comparisons of hydrographs in infinite, semi-infiniteand finite channels are pursued to exhibit the different backwater effects due to a concentrated lateral inflow for various channeltypes.