Numerical simulation of group combustion of pulverized coal

A mathematical model for the group combustion of pulverized coal particles was developed in a previous work. It includes the Lagrangian description of the dehumidification, devolatilization and char gasification reactions of the coal particles in the homogenized gaseous environment resulting from the three fuels, CO, H2 and volatiles, supplied by the gasification of the particles and their simultaneous group combustion by the gas phase oxidation reactions, which are considered to be very fast. This model is complemented here with an analysis of the particle dynamics, determined principally by the effects of aerodynamic drag and gravity, and its dispersion based on a stochastic model. It is also extended to include two other simpler models for the gasification of the particles: the first one for particles small enough to extinguish the surrounding diffusion flames, and a second one for particles with small ash content when the porous shell of ashes remaining after gasification of the char, non structurally stable, is disrupted. As an example of the applicability of the models, they are used in the numerical simulation of an experiment of a non-swirling pulverized coal jet with a nearly stagnant air at ambient temperature, with an initial region of interaction with a small annular methane flame. Computational algorithms for solving the different stages undergone by a coal particle during its combustion are proposed. For the partial differential equations modeling the gas phase, a second order finite element method combined with a semi-Lagrangian characteristics method are used. The results obtained with the three versions of the model are compared among them and show how the first of the simpler models fits better the experimental results.

Microstructure-based numerical modeling of the mechanical behavior of Mg alloys

Dentro de los materiales estructurales, el magnesio y sus aleaciones están siendo el foco de una de profunda investigación. Esta investigación está dirigida a comprender la relación existente entre la microestructura de las aleaciones de Mg y su comportamiento mecánico. El objetivo es optimizar las aleaciones actuales de magnesio a partir de su microestructura y diseñar nuevas aleaciones. Sin embargo, el efecto de los factores microestructurales (como la forma, el tamaño, la orientación de los precipitados y la morfología de los granos) en el comportamiento mecánico de estas aleaciones está todavía por descubrir. Para conocer mejor de la relación entre la microestructura y el comportamiento mecánico, es necesaria la combinación de técnicas avanzadas de caracterización experimental como de simulación numérica, a diferentes longitudes de escala. En lo que respecta a las técnicas de simulación numérica, la homogeneización policristalina es una herramienta muy útil para predecir la respuesta macroscópica a partir de la microestructura de un policristal (caracterizada por el tamaño, la forma y la distribución de orientaciones de los granos) y el comportamiento del monocristal. La descripción de la microestructura se lleva a cabo mediante modernas técnicas de caracterización (difracción de rayos X, difracción de electrones retrodispersados, así como con microscopia óptica y electrónica). Sin embargo, el comportamiento del cristal sigue siendo difícil de medir, especialmente en aleaciones de Mg, donde es muy complicado conocer el valor de los parámetros que controlan el comportamiento mecánico de los diferentes modos de deslizamiento y maclado. En la presente tesis se ha desarrollado una estrategia de homogeneización computacional para predecir el comportamiento de aleaciones de magnesio. El comportamiento de los policristales ha sido obtenido mediante la simulación por elementos finitos de un volumen representativo (RVE) de la microestructura, considerando la distribución real de formas y orientaciones de los granos. El comportamiento del cristal se ha simulado mediante un modelo de plasticidad cristalina que tiene en cuenta los diferentes mecanismos físicos de deformación, como el deslizamiento y el maclado. Finalmente, la obtención de los parámetros que controlan el comportamiento del cristal (tensiones críticas resueltas (CRSS) así como las tasas de endurecimiento para todos los modos de maclado y deslizamiento) se ha resuelto mediante la implementación de una metodología de optimización inversa, una de las principales aportaciones originales de este trabajo. La metodología inversa pretende, por medio del algoritmo de optimización de Levenberg-Marquardt, obtener el conjunto de parámetros que definen el comportamiento del monocristal y que mejor ajustan a un conjunto de ensayos macroscópicos independientes. Además de la implementación de la técnica, se han estudiado tanto la objetividad del metodología como la unicidad de la solución en función de la información experimental. La estrategia de optimización inversa se usó inicialmente para obtener el comportamiento cristalino de la aleación AZ31 de Mg, obtenida por laminado. Esta aleación tiene una marcada textura basal y una gran anisotropía plástica. El comportamiento de cada grano incluyó cuatro mecanismos de deformación diferentes: deslizamiento en los planos basal, prismático, piramidal hc+ai, junto con el maclado en tracción. La validez de los parámetros resultantes se validó mediante la capacidad del modelo policristalino para predecir ensayos macroscópicos independientes en diferentes direcciones. En segundo lugar se estudió mediante la misma estrategia, la influencia del contenido de Neodimio (Nd) en las propiedades de una aleación de Mg-Mn-Nd, obtenida por extrusión. Se encontró que la adición de Nd produce una progresiva isotropización del comportamiento macroscópico. El modelo mostró que este incremento de la isotropía macroscópica era debido tanto a la aleatoriedad de la textura inicial como al incremento de la isotropía del comportamiento del cristal, con valores similares de las CRSSs de los diferentes modos de deformación. Finalmente, el modelo se empleó para analizar el efecto de la temperatura en el comportamiento del cristal de la aleación de Mg-Mn-Nd. La introducción en el modelo de los efectos non-Schmid sobre el modo de deslizamiento piramidal hc+ai permitió capturar el comportamiento mecánico a temperaturas superiores a 150_C. Esta es la primera vez, de acuerdo con el conocimiento del autor, que los efectos non-Schmid han sido observados en una aleación de Magnesio. The study of Magnesium and its alloys is a hot research topic in structural materials. In particular, special attention is being paid in understanding the relationship between microstructure and mechanical behavior in order to optimize the current alloy microstructures and guide the design of new alloys. However, the particular effect of several microstructural factors (precipitate shape, size and orientation, grain morphology distribution, etc.) in the mechanical performance of a Mg alloy is still under study. The combination of advanced characterization techniques and modeling at several length scales is necessary to improve the understanding of the relation microstructure and mechanical behavior. Respect to the simulation techniques, polycrystalline homogenization is a very useful tool to predict the macroscopic response from polycrystalline microstructure (grain size, shape and orientation distributions) and crystal behavior. The microstructure description is fully covered with modern characterization techniques (X-ray diffraction, EBSD, optical and electronic microscopy). However, the mechanical behaviour of single crystals is not well-known, especially in Mg alloys where the correct parameterization of the mechanical behavior of the different slip/twin modes is a very difficult task. A computational homogenization framework for predicting the behavior of Magnesium alloys has been developed in this thesis. The polycrystalline behavior was obtained by means of the finite element simulation of a representative volume element (RVE) of the microstructure including the actual grain shape and orientation distributions. The crystal behavior for the grains was accounted for a crystal plasticity model which took into account the physical deformation mechanisms, e.g. slip and twinning. Finally, the problem of the parametrization of the crystal behavior (critical resolved shear stresses (CRSS) and strain hardening rates of all the slip and twinning modes) was obtained by the development of an inverse optimization methodology, one of the main original contributions of this thesis. The inverse methodology aims at finding, by means of the Levenberg-Marquardt optimization algorithm, the set of parameters defining crystal behavior that best fit a set of independent macroscopic tests. The objectivity of the method and the uniqueness of solution as function of the input information has been numerically studied. The inverse optimization strategy was first used to obtain the crystal behavior of a rolled polycrystalline AZ31 Mg alloy that showed a marked basal texture and a strong plastic anisotropy. Four different deformation mechanisms: basal, prismatic and pyramidal hc+ai slip, together with tensile twinning were included to characterize the single crystal behavior. The validity of the resulting parameters was proved by the ability of the polycrystalline model to predict independent macroscopic tests on different directions. Secondly, the influence of Neodymium (Nd) content on an extruded polycrystalline Mg-Mn-Nd alloy was studied using the same homogenization and optimization framework. The effect of Nd addition was a progressive isotropization of the macroscopic behavior. The model showed that this increase in the macroscopic isotropy was due to a randomization of the initial texture and also to an increase of the crystal behavior isotropy (similar values of the CRSSs of the different modes). Finally, the model was used to analyze the effect of temperature on the crystal behaviour of a Mg-Mn-Nd alloy. The introduction in the model of non-Schmid effects on the pyramidal hc+ai slip allowed to capture the inverse strength differential that appeared, between the tension and compression, above 150_C. This is the first time, to the author's knowledge, that non-Schmid effects have been reported for Mg alloys.

Numerical Investigation of the Flow Features around Heave Plates Oscillating Close to a Free Surface or Seabed

Performance of heave plates used in offshore structures is strongly influenced by their added mass and damping, which are affected by proximity to a boundary. A previous paper by the authors presented numerical simulations of the flow around a circular solid disk oscillating at varying elevations from seabed [1]. The force calculated was used to evaluate the added mass and damping coefficients for the disk. The simulations suggest that as the structure moves closer to the seabed the added mass and damping coefficients (Ca and Cb) increases continuously. In order to understand the physics behind the added mass and damping trends, when a heave plate is moving near a seabed or closer to the free surface, the flow characteristics around the heave plate are examined numerically in this paper. Flow around oscillating disks is dominated by generation and development of phase-dependent vortical structures, characterized by the KC number and the distance from the seabed or free surface to the heave plate. Numerical calculations presented in this paper have comprised the qualitative analysis of the vortex shedding and the investigation of the links between such vortex shedding and, on one hand the damping coefficient, and on the other hand, pairing mechanisms such as the shedding angle.

A numerical study of the influence of microvoids in the transverse mechanical response of unidirectional composites

The effect of porosity on the transverse mechanical properties of unidirectional fiber-reinforced composites is studied by means of computational micromechanics. The composite behavior is simulated by the finite element analysis of a representative volume element of the composite microstructure in which the random distribution of fibers and the voids are explicitly included. Two types of voids – interfiber voids and matrix voids – were included in the microstructure and the actual damage mechanisms in the composite, namely matrix and interface failure, were accounted for. It was found that porosity (in the range 1–5%) led to a large reduction in the transverse strength and the influence of both types of voids in the onset and propagation of damage throughout the microstructure was studied under transverse tension and compression. Finally, the failure locus of the composite lamina under transverse tension/compression and out-of-plane shear was obtained by means of computational micromechanics and compared with the predictions of Puck’s model and with experimental data available in the literature. The results show that the strength of composites is significantly reduced by the presence of voids

An experimental and numerical study of ductile failure under quasi-static and impact loadings of Inconel 718 nickel-base superalloy

A numerical and experimental study of ballistic impacts at various temperatures on precipitation hardened Inconel 718 nickel-base superalloy plates has been performed. A coupled elastoplastic-damage constitutive model with Lode angle dependent failure criterion has been implemented in LS-DYNA non-linear finite element code to model the mechanical behaviour of such an alloy. The ballistic impact tests have been carried out at three temperatures: room temperature (25 °C), 400 °C and 700 °C. The numerical study showed that the mesh size is crucial to predict correctly the shear bands detected in the tested plates. Moreover, the mesh size convergence has been achieved for element sizes on the same order that the shear bands. The residual velocity as well as the ballistic limit prediction has been considered excellent for high temperature ballistic tests. Nevertheless, the model has been less accurate for the numerical simulations performed at room temperature, being though in reasonable agreement with the experimental data. Additionally, the influence that the Lode angle had on quasi-static failure patterns such as cup-cone and slanted failure has been studied numerically. The study has revealed that the combined action of weakened constitutive equations and Lode angle dependent failure criterion has been necessary to predict the previously-mentioned failure patterns

Numerical analysis of shell and spatial structures

Since the advent of the computer into the engineering field, the application of the numerical methods to the solution of engineering problems has grown very rapidly. Among the different computer methods of structural analysis the Finite Element (FEM) has been predominantly used. Shells and space structures are very attractive and have been constructed to solve a large variety of functional problems (roofs, industrial building, aqueducts, reservoirs, footings etc). In this type of structures aesthetics, structural efficiency and concept play a very important role. This class of structures can be divided into three main groups, namely continuous (concrete) shells, space frames and tension (fabric, pneumatic, cable etc )structures. In the following only the current applications of the FEM to the analysis of continuous shell structures will be discussed. However, some of the comments on this class of shells can be also applied to some extend to the others, but obviously specific computational problems will be restricted to the continuous shells. Different aspects, such as, the type of elements,input-output computational techniques etc, of the analysis of shells by the FEM will be described below. Clearly, the improvements and developments occurring in general for the FEM since its first appearance in the fifties have had a significative impact on the particular class of structures under discussion.

Numerical study of ultrasound induced non-linear shape and size bubble oscillations in viscoelastic media

The theoretical study of forced bubble oscillations is motivated by the importance of cavitation bubbles and oscillating encapsulated microbubbles (i.e. contrast agents) in medical sciences. In more details,theoretical studies on bubble dynamics addressing the sound-bubble interaction phenomenon provide the basis for understanding the dynamics of contrast agent microbubbles used in medical diagnosis and of non-linearly oscillating cavitation bubbles in the case of high-intensity ultrasound therapy. Moreover, the inclusion of viscoelasticity is of vital importance for an accurate theoretical analysis since most biological tissues and fluids exhibit non-Newtonian behavior.

Numerical Simulation of the Aerodynamic Behavior of High Velocity Trains under Synthetic Crosswinds of Different Shear and Turbulence Characteristics

A numerical simulation of the aerodynamic behavior of high-speed trains under synthetic crosswinds at a 90º yaw angle is presented. The train geometry is the aerodynamic train model (ATM). Flow description based on numerical simulations is obtained using large eddy simulation (LES) and the commercial code ANSYSFluent V14.5. A crosswind whose averaged velocity and turbulence characteristics change with distance to the ground is imposed. Turbulent fluctuations that vary temporally and spatially are simulated with TurbSim code. The crosswind boundary condition is calculated for the distance the train runs during a simulation period. The inlet streamwise velocity boundary condition is generated using Taylor?s frozen turbulence hypothesis. The model gives a time history of the force and moments acting on the train; this includes averaged values, standard deviations and extreme values. Of particular interest are the spectra of the forces and moments, and the admittance spectra. For comparison, results obtained with LES and a uniform wind velocity fluctuating in time, and results obtained with Reynolds averaged Navier Stokes equations (RANS), and the averaged wind conditions, are also presented.

A code for direct numerical simulation of turbulent boundary layers at high Reynolds numbers in BG/P supercomputers

A new high-resolution code for the direct numerical simulation of a zero pressure gradient turbulent boundary layers over a flat plate has been developed. Its purpose is to simulate a wide range of Reynolds numbers from Reθ = 300 to 6800 while showing a linear weak scaling up to 32,768 cores in the BG/P architecture. Special attention has been paid to the generation of proper inflow boundary conditions. The results are in good agreement with existing numerical and experimental data sets.

Experimental and numerical assessment of the aeroelastic stability of blade pair packages

The stabilizing effect of grouping rotor blades in pairs has been assessed both, numerically and experimentally. The bending and torsion modes of a low aspect ratio high speed turbine cascade tested in the non-rotating test facility at EPFL (Ecole Polytechnique Fédérale de Lausanne) have been chosen as the case study. The controlled vibration of 20 blades in travelling wave form was performed by means of an electromagnetic excitation system, enabling the adjustement of the vibration amplitude and inter blade phase at a given frequency. Unsteady pressure transducers located along the blade mid-section were used to obtain the modulus and phase of the unsteady pressure caused by the airfoil motion. The stabilizing effect of the torsion mode was clearly observed both in the experiments and the simulations, however the effect of grouping the blades in pairs in the minimum damping at the tested frequency was marginal in the bending mode. A numerical tool was validated using the available experimental data and then used to extend the results at lower and more relevant reduced frequencies. It is shown that the stabilizing effect exists for the bending and torsion modes in the frequency range typical of low-pressure turbines. It is concluded that the stabilizing effect of this configuration is due to the shielding effect of the pressure side of the airfoil that defines the passage of the pair on the suction side of the same passage, since the relative motion between both is null. This effect is observed both in the experiments and simulations.

Numerical analysis of air flow past the 2415-3S airfoil for an unmanned aerial vehicle with internal propulsion system

This paper deals with the prediction of pressure and velocity fields on the 2415-3S airfoil which will be used for and unmanned aerial vehicle with internal propulsion system and in this way analyze the air flow through an internal duct of the airfoil using computational fluid dynamics. The main objective is to evaluate the effect of the internal air flow past the airfoil and how this affects the aerodynamic performance by means of lift and drag forces. For this purpose, three different designs of the internal duct were studied; starting from the base 2415-3S airfoil developed in previous investigation, basing on the hypothesis of decreasing the flow separation produced when the propulsive airflow merges the external flow, and in this way obtaining the best configuration. For that purpose, an exhaustive study of the mesh sensitivity was performed. It was used a non-structured mesh since the computational domain is tridimensional and complex. The selected mesh contains approximately 12.5 million elements. Both the computational domain and the numerical solution were made with commercial CAD and CFD software respectively. Air, incompressible and steady was analyzed. The boundary conditions are in concordance with experimental setup in the AF 6109 wind tunnel. The k-ε model is utilized to describe the turbulent flow process as followed in references. Results allowed obtaining pressure and velocity contours as well as lift and drag coefficients and also the location of separation and reattachment regions in some cases for zero degrees of angle of attack on the internal and external surfaces of the airfoil. Finally, the selection of the configuration with the best aerodynamic performance was made, selecting the option without curved baffles.

Experimental and numerical study of wind flow behind windbreaks

The shelter effect of a windbreak protects aggregate piles and provides a reduction of particle emissions in harbours. RANS (Reynolds-averaged Navier–Stokes equations) simulations using three variants of k–ε (standard k–ε, RNG k–ε and realizable k–ε) turbulence closure models have been performed to analyse wind flow characteristics behind an isolated fence located on a flat surface without roughness elements. The performance of the three turbulence models has been assessed by wind tunnel experiments. Cases of fences with different porosities (φ) have been evaluated using wind tunnel experiments as well as numerical simulations. The aim is to determine an optimum porosity for sheltering effect of an isolated windbreak. A value of 0.35 was found as the optimum value among the studied porosities (φ=0, 0.1, 0.24, 0.35, 0.4, 0.5).

Direct numerical simulation of statistically stationary and homogeneous shear turbulence and its relation to other shear flows

Statistically stationary and homogeneous shear turbulence (SS-HST) is investigated by means of a new direct numerical simulation code, spectral in the two horizontal directions and compact-finite-differences in the direction of the shear. No remeshing is used to impose the shear-periodic boundary condition. The influence of the geometry of the computational box is explored. Since HST has no characteristic outer length scale and tends to fill the computational domain, long-term simulations of HST are “minimal” in the sense of containing on average only a few large-scale structures. It is found that the main limit is the spanwise box width, Lz, which sets the length and velocity scales of the turbulence, and that the two other box dimensions should be sufficiently large (Lx ≳ 2Lz, Ly ≳ Lz) to prevent other directions to be constrained as well. It is also found that very long boxes, Lx ≳ 2Ly, couple with the passing period of the shear-periodic boundary condition, and develop strong unphysical linearized bursts. Within those limits, the flow shows interesting similarities and differences with other shear flows, and in particular with the logarithmic layer of wall-bounded turbulence. They are explored in some detail. They include a self-sustaining process for large-scale streaks and quasi-periodic bursting. The bursting time scale is approximately universal, ∼20S−1, and the availability of two different bursting systems allows the growth of the bursts to be related with some confidence to the shearing of initially isotropic turbulence. It is concluded that SS-HST, conducted within the proper computational parameters, is a very promising system to study shear turbulence in general.

Coupling time-stepping numerical methods and standard aerodynamics codes for instability analysis of flows in complex geometries

The development of a global instability analysis code coupling a time-stepping approach, as applied to the solution of BiGlobal and TriGlobal instability analysis 1, 2 and finite-volume-based spatial discretization, as used in standard aerodynamics codes is presented. The key advantage of the time-stepping method over matrix-formulation approaches is that the former provides a solution to the computer-storage issues associated with the latter methodology. To-date both approaches are successfully in use to analyze instability in complex geometries, although their relative advantages have never been quantified. The ultimate goal of the present work is to address this issue in the context of spatial discretization schemes typically used in industry. The time-stepping approach of Chiba 3 has been implemented in conjunction with two direct numerical simulation algorithms, one based on the typically-used in this context high-order method and another based on low-order methods representative of those in common use in industry. The two codes have been validated with solutions of the BiGlobal EVP and it has been showed that small errors in the base flow do not have affect significantly the results. As a result, a three-dimensional compressible unsteady second-order code for global linear stability has been successfully developed based on finite-volume spatial discretization and time-stepping method with the ability to study complex geometries by means of unstructured and hybrid meshes

Application of global numerical procedures to the analysis of shells

Examples of global solutions of the shell equations are presented, such as the ones based on the well known Levy series expansion. Also discussed are some natural extensions of the Levy method as well as the inherent limitations of these methods concerning the shell model assumptions, boundary conditions and geometric regularity. Finally, some open additional design questions are noted mainly related to the simultaneous use in analysis of these global techniques and the local methods (like the finite elements) to finding the optimal shell shape, and to determining the reinforcement layout.