Adaptive numerical simulation of reaction - diffusion systems

Fluidized beds, granulation, heat and mass transfer, calcium dynamics, stochastic process, finite element methods, Rosenbrock methods, multigrid methods, parallelization

Modelling the influence of microstructure on elastic properties and tensile damage behaviour of Mo-base silicide alloys

Mo-Si-B alloys, Real microstructures, Voronoi structures, Microstructural characterization, Modelling and finite element simulations, Effective material properties, Damage and Crack growth, tensile strength, fracture toughness

Parametric analysis of different compact tension specimens for fracture toughness characterisation in woven composite materials

Estudi elaborat a partir d’una estada a l’ Imperial College London, entre juliol i novembre de 2006. En aquest treball s’ha investigat la geometria més apropiada per a la caracterització de la tenacitat a fractura intralaminar de materials compòsits laminats amb teixit. L’objectiu és assegurar la propagació de l’esquerda sense que la proveta falli abans per cap altre mecanisme de dany per tal de permetre la caracterització experimental de la tenacitat a fractura intralaminar de materials compòsits laminats amb teixit. Amb aquesta fi, s’ha dut a terme l’anàlisi paramètrica de diferents tipus de provetes mitjançant el mètode dels elements finits (FE) combinat amb la virtual crack closure technique (VCCT). Les geometries de les provetes analitzades corresponen a la proveta de l’assaig compact tension (CT) i diferents variacions com la extended compact tension (ECT), la proveta widened compact tension (WCT), tapered compact tension (TCT) i doubly-tapered compact tension (2TCT). Com a resultat d’aquestes anàlisis s’han derivat diferents conclusions per obtenir la geometria de proveta més apropiada per a la caracterització de la tenacitat a fractura intralaminar de materials compòsits laminats amb teixit. A més, també s’han dut a terme una sèrie d’assaigs experimentals per tal de validar els resultats de les anàlisis paramètriques. La concordança trobada entre els resultats numèrics i experimentals és bona tot i la presència d’efectes no previstos durant els assaigs experimentals.

Una arqueometria del canvi tecnològic: producció i consum d'àmfores durant el canvi d'era en la zona nord de la costa catalana

L’objectiu de la recerca és definir un marc teòric i metodològic per a l’estudi del canvi tecnològic en Arqueologia. Aquest model posa èmfasi en caracteritzar els compromisos que configuren una tecnologia i avaluar-los en funció dels factors de situació —tècnics, econòmics, polítics, socials i ideològics. S’ha aplicat aquest model a un cas d’estudi concret: la producció d’àmfores romanes durant el canvi d’Era en la província Tarraconensis. L’estudi tecnològic dels envasos s’ha realitzat mitjançant diverses tècniques analítiques: Fluorescència de raigs X (FRX), Difracció de raigs X (DRX), Microscòpia òptica (MO) i Microscòpia electrònica de rastreig (MER). Les dades obtingudes permeten, a més, establir els grups de referència per a cada centre productor d’àmfores i, així, identificar la provinença dels individus recuperats en els centres consumidors. Donat que les àmfores en estudi són artefactes dissenyats específicament per a ser estibats en una nau i servir com a envàs de transport, l’estudi inclou la caracterització de les propietats mecàniques de resistència a la fractura i de tenacitat. En aquest sentit, i per primera vegada, s’ha aplicat l’Anàlisi d’Elements Finits (AEF) per a conèixer el comportament dels diferents dissenys d’àmfora en ésser sotmesos a diverses forces d’ús. L’AEF permet simular per ordinador les activitats en què les àmfores haurien participat durant el seu ús i avaluar-ne el seu comportament tècnic. Els resultats mostren una gran adequació entre les formulacions teòriques i el programa analític implementat per a aquest estudi. Respecte el cas d’estudi, els resultats mostren una gran variabilitat en les eleccions tecnològiques preses pels ceramistes de diferents tallers, però també al llarg del període de funcionament d’un mateix taller. L’aplicació del model ha permès proposar una explicació al canvi de disseny de les àmfores romanes.

Developing discontinuous Galerkin methods for the resolution of the incompressible Navier-Stokes equations

Informe de investigación elaborado a partir de una estancia en el Laboratorio de Diseño Computacional en Aeroespacial en el Massachusetts Institute of Technology (MIT), Estados Unidos, entre noviembre de 2006 y agosto de 2007. La aerodinámica es una rama de la dinámica de fluidos referida al estudio de los movimientos de los líquidos o gases, cuya meta principal es predecir las fuerzas aerodinámicas en un avión o cualquier tipo de vehículo, incluyendo los automóviles. Las ecuaciones de Navier-Stokes representan un estado dinámico del equilibrio de las fuerzas que actúan en cualquier región dada del fluido. Son uno de los sistemas de ecuaciones más útiles porque describen la física de una gran cantidad de fenómenos como corrientes del océano, flujos alrededor de una superficie de sustentación, etc. En el contexto de una tesis doctoral, se está estudiando un flujo viscoso e incompresible, solucionando las ecuaciones de Navier- Stokes incompresibles de una manera eficiente. Durante la estancia en el MIT, se ha utilizado un método de Galerkin discontinuo para solucionar las ecuaciones de Navier-Stokes incompresibles usando, o bien un parámetro de penalti para asegurar la continuidad de los flujos entre elementos, o bien un método de Galerkin discontinuo compacto. Ambos métodos han dado buenos resultados y varios ejemplos numéricos se han simulado para validar el buen comportamiento de los métodos desarrollados. También se han estudiado elementos particulares, los elementos de Raviart y Thomas, que se podrían utilizar en una formulación mixta para obtener un algoritmo eficiente para solucionar problemas numéricos complejos.

Predicting trabecular bone microdamage initiation and accumulation using a non-linear perfect damage model

Studies evaluating the mechanical behavior of the trabecular microstructure play an important role in our understanding of pathologies such as osteoporosis, and in increasing our understanding of bone fracture and bone adaptation. Understanding of such behavior in bone is important for predicting and providing early treatment of fractures. The objective of this study is to present a numerical model for studying the initiation and accumulation of trabecular bone microdamage in both the pre- and post-yield regions. A sub-region of human vertebral trabecular bone was analyzed using a uniformly loaded anatomically accurate microstructural three-dimensional finite element model. The evolution of trabecular bone microdamage was governed using a non-linear, modulus reduction, perfect damage approach derived from a generalized plasticity stress-strain law. The model introduced in this paper establishes a history of microdamage evolution in both the pre- and post-yield regions

Translation of biomechanical concepts in bone tissue engineering: from animal study to revision knee arthroplasty.

Bone defects in revision knee arthroplasty are often located in load-bearing regions. The goal of this study was to determine whether a physiologic load could be used as an in situ osteogenic signal to the scaffolds filling the bone defects. In order to answer this question, we proposed a novel translation procedure having four steps: (1) determining the mechanical stimulus using finite element method, (2) designing an animal study to measure bone formation spatially and temporally using micro-CT imaging in the scaffold subjected to the estimated mechanical stimulus, (3) identifying bone formation parameters for the loaded and non-loaded cases appearing in a recently developed mathematical model for bone formation in the scaffold and (4) estimating the stiffness and the bone formation in the bone-scaffold construct. With this procedure, we estimated that after 3 years mechanical stimulation increases the bone volume fraction and the stiffness of scaffold by 1.5- and 2.7-fold, respectively, compared to a non-loaded situation.

Simulations of parasitic and intrinsic capacitances related to Multiple-Gate-Field-Effect Transistor architectures

Report for the scientific sojourn carried out at the Université Catholique de Louvain, Belgium, from March until June 2007. In the first part, the impact of important geometrical parameters such as source and drain thickness, fin spacing, spacer width, etc. on the parasitic fringing capacitance component of multiple-gate field-effect transistors (MuGFET) is deeply analyzed using finite element simulations. Several architectures such as single gate, FinFETs (double gate), triple-gate represented by Pi-gate MOSFETs are simulated and compared in terms of channel and fringing capacitances for the same occupied die area. Simulations highlight the great impact of diminishing the spacing between fins for MuGFETs and the trade-off between the reduction of parasitic source and drain resistances and the increase of fringing capacitances when Selective Epitaxial Growth (SEG) technology is introduced. The impact of these technological solutions on the transistor cut-off frequencies is also discussed. The second part deals with the study of the effect of the volume inversion (VI) on the capacitances of undoped Double-Gate (DG) MOSFETs. For that purpose, we present simulation results for the capacitances of undoped DG MOSFETs using an explicit and analytical compact model. It monstrates that the transition from volume inversion regime to dual gate behaviour is well simulated. The model shows an accurate dependence on the silicon layer thickness,consistent withtwo dimensional numerical simulations, for both thin and thick silicon films. Whereas the current drive and transconductance are enhanced in volume inversion regime, our results show thatintrinsic capacitances present higher values as well, which may limit the high speed (delay time) behaviour of DG MOSFETs under volume inversion regime.

Innovació tecnològica a la construcció subterrània

Report for the scientific sojourn carried out in the International Center for Numerical Methods in Engineering (CIMNE) –state agency – from February until November 2007. The work within the project Technology innovation in underground construction can be grouped into the following tasks: development of the software for modelling underground excavation based on the discrete element method - the numerical algorithms have been implemented in the computer programs and applied to simulation of excavation using roadheaders and TBM-s -; coupling of the discrete element method with the finite element method; development of the numerical model of rock cutting taking into account of wear of rock cutting tools -this work considers a very important factor influencing effectiveness of underground works -.

Discontinuous Galerkin methods for the one-dimensional Vlasov-Poisson system

We construct a new family of semi-discrete numerical schemes for the approximation of the one-dimensional periodic Vlasov-Poisson system. The methods are based on the coupling of discontinuous Galerkin approximation to the Vlasov equation and several finite element (conforming, non-conforming and mixed) approximations for the Poisson problem. We show optimal error estimates for the all proposed methods in the case of smooth compactly supported initial data. The issue of energy conservation is also analyzed for some of the methods.

Behavior study of pipes after forming, coating and bending

A study of the main types of coatings and its processes that modern industry commonly apply to prevent to the corrosion due to the environmental effects to energetic market pipelines have been done. Extracting main time and temperature range values, coating heat treatment recreation have been applied to x65 pipelines steel grade samples obtained from a pipe which was formed using UOE forming process. Experimental tensile tests and Charpy V‐Notch Impact test have been carried out for a deeply knowledge of the influence on the steel once this recreations are applied. The Yield Strength and toughness have been improved despite lower values in rupture strain and ductile‐brittle temperature transition have been obtained. Finite Element Method have been applied to simulate the entirely pipe cold bending process to predict the mechanical properties and behaviour of the pipe made from x65 steel grade under different conditions.

Stabilized Petrov-Galerkin methods for the convection-diffusion-reaction and the Helmholtz equations

We present two new stabilized high-resolution numerical methods for the convection–diffusion–reaction (CDR) and the Helmholtz equations respectively. The work embarks upon a priori analysis of some consistency recovery procedures for some stabilization methods belonging to the Petrov–Galerkin framework. It was found that the use of some standard practices (e.g. M-Matrices theory) for the design of essentially non-oscillatory numerical methods is not feasible when consistency recovery methods are employed. Hence, with respect to convective stabilization, such recovery methods are not preferred. Next, we present the design of a high-resolution Petrov–Galerkin (HRPG) method for the 1D CDR problem. The problem is studied from a fresh point of view, including practical implications on the formulation of the maximum principle, M-Matrices theory, monotonicity and total variation diminishing (TVD) finite volume schemes. The current method is next in line to earlier methods that may be viewed as an upwinding plus a discontinuity-capturing operator. Finally, some remarks are made on the extension of the HRPG method to multidimensions. Next, we present a new numerical scheme for the Helmholtz equation resulting in quasi-exact solutions. The focus is on the approximation of the solution to the Helmholtz equation in the interior of the domain using compact stencils. Piecewise linear/bilinear polynomial interpolation are considered on a structured mesh/grid. The only a priori requirement is to provide a mesh/grid resolution of at least eight elements per wavelength. No stabilization parameters are involved in the definition of the scheme. The scheme consists of taking the average of the equation stencils obtained by the standard Galerkin finite element method and the classical finite difference method. Dispersion analysis in 1D and 2D illustrate the quasi-exact properties of this scheme. Finally, some remarks are made on the extension of the scheme to unstructured meshes by designing a method within the Petrov–Galerkin framework.

Discontinuous Galerkin methods for the Multi-dimensional Vlasov-Poisson problem

We introduce and analyze two new semi-discrete numerical methods for the multi-dimensional Vlasov-Poisson system. The schemes are constructed by combing a discontinuous Galerkin approximation to the Vlasov equation together with a mixed finite element method for the Poisson problem. We show optimal error estimates in the case of smooth compactly supported initial data. We propose a scheme that preserves the total energy of the system.

Anatomic shoulder arthroplasty: consequences of humeral head malposition

Purpose Third generation anatomic total shoulder prostheses offer a wide range of adaptability (size, thickness, retroversion and offset of the humeral head, cervico-diaphyseal angle) in order to reproduce anatomy and biomechanics of the shoulder as normal as possible. The large variability of the implants may also induce malposition. Our goal was to analyse the consequences of a humeral head malposition, which is one of the most frequent placement errors. Material and Methods A 3D finite element model of the glenohumeral joint, including the rotator cuff muscles and the deltoid, was used with the Aequalis anatomic prosthesis. Active abduction was simulated. Three humeral head placements were compared : anatomic positioning (A), 5 mm inferior positioning (B), 5 mm superior positioning (C). The effect of humeral head malposition was evaluated through the following quantities : the range of motion free of impingements, the glenohumeral contact pattern, and the stress within the polyethylene and the cement. Results Inferior positioning (B) of the humeral head produced a superior impingement before 90° of abduction, an inferior eccentric contact point on the glenoid, and 165% increase of cement stress. Superior positioning (C) of the humeral head produced a postero-superior eccentric contact point on the glenoid, 300% increase of glenohumeral contact pressure, 450% increase of polyethylene stress, and 207% increase of cement stress. Conclusion Malposition of the humeral head of anatomic prostheses induces biomechanical consequences that may preclude the glenoid survival. Particular attention must be paid to reproduce the humeral anatomy as normal as possible.

The borehole-fluid effect in electrical resistivity imaging

Fluid that fills boreholes in crosswell electrical resistivity investigations provides the necessary electrical contact between the electrodes and the rock formation but it is also the source of image artifacts in standard inversions that do not account for the effects of the boreholes. The image distortions can be severe for large resistivity contrasts between the rock formation and borehole fluid and for large borehole diameters. We have carried out 3D finite-element modeling using an unstructured-grid approach to quantify the magnitude of borehole effects for different resistivity contrasts, borehole diameters, and electrode configurations. Relatively common resistivity contrasts of 100:1 and borehole diameters of 10 and 20 cm yielded, for a bipole length of 5 m, apparent resistivity underestimates of approximately 12% and 32% when using AB-MN configurations and apparent resistivity overestimates of approximately 24% and 95% when using AM-BN configurations. Effects are generally more severe at shorter bipole spacings. We report the results obtained by either including or ignoring the boreholes in inversions of 3D field data from a test site in Switzerland, where approximately 10,000 crosswell resistivity-tomography measurements were made across six acquisition planes among four boreholes. Inversions of raw data that ignored the boreholes filled with low-resistivity fluid paradoxically produced high-resistivity artifacts around the boreholes. Including correction factors based on the modeling results fora ID model with and without the boreholes did not markedly improve the images. The only satisfactory approach was to use a 3D inversion code that explicitly incorporated the boreholes in the actual inversion. This new approach yielded an electrical resistivity image that was devoid of artifacts around the boreholes and that correlated well with coincident crosswell radar images.