Crack mechanical failure in lithium niobate crystal under ion irradiation; novel simulation by extended finite elements

Swift heavy ion irradiation (ions with mass heavier than 15 and energy exceeding MeV/amu) transfer their energy mainly to the electronic system with small momentum transfer per collision. Therefore, they produce linear regions (columnar nano-tracks) around the straight ion trajectory, with marked modifications with respect to the virgin material, e.g., phase transition, amorphization, compaction, changes in physical or chemical properties. In the case of crystalline materials the most distinctive feature of swift heavy ion irradiation is the production of amorphous tracks embedded in the crystal. Lithium niobate is a relevant optical material that presents birefringence due to its anysotropic trigonal structure. The amorphous phase is certainly isotropic. In addition, its refractive index exhibits high contrast with those of the crystalline phase. This allows one to fabricate waveguides by swift ion irradiation with important technological relevance. From the mechanical point of view, the inclusion of an amorphous nano-track (with a density 15% lower than that of the crystal) leads to the generation of important stress/strain fields around the track. Eventually these fields are the origin of crack formation with fatal consequences for the integrity of the samples and the viability of the method for nano-track formation. For certain crystal cuts (X and Y), these fields are clearly anisotropic due to the crystal anisotropy. We have used finite element methods to calculate the stress/strain fields that appear around the ion-generated amorphous nano-tracks for a variety of ion energies and doses. A very remarkable feature for X cut-samples is that the maximum shear stress appears on preferential planes that form +/-45º with respect to the crystallographic planes. This leads to the generation of oriented surface cracks when the dose increases. The growth of the cracks along the anisotropic crystal has been studied by means of novel extended finite element methods, which include cracks as discontinuities. In this way we can study how the length and depth of a crack evolves as function of the ion dose. In this work we will show how the simulations compare with experiments and their application in materials modification by ion irradiation.

Dynamic analysis using finite elements to calculate the critical wear section of the contact wire in suburban railway overhead conductor rails

The purpose of this study is to determine the critical wear levels of the contact wire of the catenary on metropolitan lines. The study has focussed on the zones of contact wire where localised wear is produced, normally associated with the appearance of electric arcs. To this end, a finite element model has been developed to study the dynamics of pantograph-catenary interaction. The model includes a zone of localised wear and a singularity in the contact wire in order to simulate the worst case scenario from the point of view of stresses. In order to consider the different stages in the wire wear process, different depths and widths of the localised wear zone were defined. The results of the dynamic simulations performed for each stage of wear let the area of the minimum resistant section of the contact wire be determined for which stresses are greater than the allowable stress. The maximum tensile stress reached in the contact wire shows a clear sensitivity to the size of the local wear zone, defined by its width and depth. In this way, if the wear measurements taken with an overhead line recording vehicle are analysed, it will be possible to calculate the potential breakage risk of the wire. A strong dependence of the tensile forces of the contact wire has also been observed. These results will allow priorities to be set for replacing the most critical sections of wire, thereby making maintenance much more efficient. The results obtained show that the wire replacement criteria currently borne in mind have turned out to be appropriate, although in some wear scenarios these criteria could be adjusted even more, and so prolong the life cycle of the contact wire.

On the Use of a 3-D Fundamental Solution for Axisymmetric Steady-State Dynamic Problems

The use of 3-D fundamental solution is some axisymmetric problems is straightforward. The resulting algorithms seem to work better than the usual ones (at least for static solutions) and for dynamic cases, than those presented in the previous paragraph. The robustness of the method allows the computations for very high and very low frequencies without any noticeable difficulty.

The effect of boundary conditions in the numerical solution of 3-D thermoelastic problems

After the extensive research on the capabilities of the Boundary Integral Equation Method produced during the past years the versatility of its applications has been well founded. Maybe the years to come will see the in-depth analysis of several conflictive points, for example, adaptive integration, solution of the system of equations, etc. This line is clear in academic research. In this paper we comment on the incidence of the manner of imposing the boundary conditions in 3-D coupled problems. Here the effects are particularly magnified: in the first place by the simple model used (constant elements) and secondly by the process of solution, i.e. first a potential problem is solved and then the results are used as data for an elasticity problem. The errors add to both processes and small disturbances, unimportant in separated problems, can produce serious errors in the final results. The specific problem we have chosen is especially interesting. Although more general cases (i.e. transient)can be treated, here the domain integrals can be converted into boundary ones and the influence of the manner in which boundary conditions are applied will reflect the whole importance of the problem.

Modelo de ISING en 3-d. aplicación a sensores magnéticos

El modelo de Ising es un problema de física estadística que tiene solución exacta en dos dimensiones, para el caso de tres dimensiones es preciso utilizar procedimientos de simulación. En este trabajo se ha utilizado un método de Monte Carlo para estudiar el comportamiento del sistema en distintas situaciones, siendo de especial interés el estudio del paso por la transición de fase a la temperatura crítica (Temperatura de Curie, Tc). Se ha estudiado la cinética de los dominios magnéticos, considerando la estructura de los dominios desde el punto de vista de la energía, y en consecuencia, hemos tenido en cuenta la energía de canje que tiende a mantener alineados los espines de los electrones en los materiales ferromagnéticos. Este término contribuye a hacer mayor el espesor de la pared, por la tendencia a que los espines de los átomos vecinos se mantengan alineados. Se ha considerado el ferromagnetismo desde el punto de vista cuántico y basado en las propiedades de simetría de las funciones de onda de los electrones, que se manifiestan en variaciones de la energía electrostática de un sistema en función de la orientación de sus espines. Se han estudiado los efectos de histéresis que resultan al aplicar un campo magnético externo a la red y la orientación de los espines de la misma a lo largo de su evolución. Para la determinación de las propiedades de los materiales ferromagnéticos se utiliza el ciclo de histéresis aunque algunas de las propiedades magnéticas, como la dirección de anisotropía, no pueden ser deducidas directamente de esta manera. Se utilizan distintos métodos para la determinación de la anisotropía de las muestras. El acoplamiento entre la magnetización en zonas próximas a la superficie y la magnetización en zonas internas de la muestra puede ser utilizado para obtener un ciclo de histéresis, que permita obtener sensores magnéticos adaptados a las medidas que se quieran realizar. Mediante el control del campo coercitivo y la susceptibilidad se abre una línea de investigación para el desarrollo de sensores magnéticos

Automatic mesh generation processor for 3-D parabolic boundary discretization

An automatic Mesh Generation Preprocessor for BE Programs with a considerable of capabilities has been developed. This program allows almost any kind of geometry and tipology to be defined with a small amount of external data, and with an important approximation of the boundary geometry. Also the error checking possibility is very important for a fast comprobation of the results.

A Case Study of Geometric Modelling via 3-D Point Interpolation for the Bathymetry of the Rabasa Lakes (Alicante, Spain)

The interpolation of points by means of Information Technology programs appears as a technical tool of some relevancy in the hydrogeology in general and in the study of the humid zones in particular. Our approach has been the determination of the 3-D geometry of the humid zones of major depth of the Rabasa Lakes. To estimate the topography of the lake bed, we proceed to acquire information in the field by means of sonar and GPS equipment. A total of 335 points were measured both on the perimeter and in the lake bed. In a second stage, this information was used in a kriging program to obtain the bathymetry of the wetland. This methodology is demonstrated as one of the most reliable and cost-efficient for the 3-D analysis of this type of water masses. The bathymetric study of the zone allows us to characterize the mid- and long-term hydrological evolution of the lakes by means of depth-area-volume curves.

B.I.E.M.in 3-D elasto-plastic problems

In this paper we present the application of BIEM to elastoplastic axysimetric problems. After a brief presentation of the basic integral formulation we introduce the discretizing and iterative process for its resolution. Simple problems are compared in order to test the possibilities of the method and we finish commenting on future research needs.

A Compact Formula for the Derivative of a 3-D Rotation in Exponential Coordinates

We present a compact formula for the derivative of a 3-D rotation matrix with respect to its exponential coordinates. A geometric interpretation of the resulting expression is provided, as well as its agreement with other less-compact but better-known formulas. To the best of our knowledge, this simpler formula does not appear anywhere in the literature. We hope by providing this more compact expression to alleviate the common pressure to reluctantly resort to alternative representations in various computational applications simply as a means to avoid the complexity of differential analysis in exponential coordinates.

Structure of Alluvial Valleys from 3-D Gravity Inversion: The Low Andarax Valley (Almería, Spain) Test Case

This paper presents a gravimetric study (based on 382 gravimetric stations in an area about 32 km2) of a nearly flat basin: the Low Andarax valley. This alluvial basin, close to its river mouth, is located in the extreme south of the province of Almería and coincides with one of the existing depressions in the Betic Cordillera. The paper presents new methodological work to adapt a published inversion approach (GROWTH method) to the case of an alluvial valley (sedimentary stratification, with density increase downward). The adjusted 3D density model reveals several features in the topography of the discontinuity layers between the calcareous basement (2,700 kg/m3) and two sedimentary layers (2,400 and 2,250 kg/m3). We interpret several low density alignments as corresponding to SE faults striking about N140?145°E. Some detected basement elevations (such as the one, previously known by boreholes, in Viator village) are apparently connected with the fault pattern. The outcomes of this work are: (1) new gravimetric data, (2) new methodological options, and (3) the resulting structural conclusions.

3-D modeling of perimeter recombination in GaAs diodes and its influence on concentrator solar cells

This paper describes a complete modelling of the perimeter recombination of GaAs diodes which solves most unknowns and suppresses the limitations of previous models. Because of the three dimensional nature of the implemented model, it is able to simulate real devices. GaAs diodes on two epiwafers with different base doping levels, sizes and geometries, namely square and circular are manufactured. The validation of the model is achieved by fitting the experimental measurements of the dark IV curve of the manufactured GaAs diodes. A comprehensive 3-D description of the occurring phenomena affecting the perimeter recombination is supplied with the help of the model. Finally, the model is applied to concentrator GaAs solar cells to assess the impact of their doping level, size and geometry on the perimeter recombination.

Impact And Explosive Loads On Concrete Buildings Using Shell And Beam Type Elements

The threat of impact or explosive loads is regrettably a scenario to be taken into account in the design of lifeline or critical civilian buildings. These are often made of concrete and not specifically designed for military threats. Numerical simulation of such cases may be undertaken with the aid of state of the art explicit dynamic codes, however several difficult challenges are inherent to such models: the material modeling for the concrete anisotropic failure, consideration of reinforcement bars and important structural details, adequate modeling of pressure waves from explosions in complex geometries, and efficient solution to models of complete buildings which can realistically assess failure modes. In this work we employ LS-Dyna for calculation, with Lagrangian finite elements and explicit time integration. Reinforced concrete may be represented in a fairly accurate fashion with recent models such as CSCM model [1] and segregated rebars constrained within the continuum mesh. However, such models cannot be realistically employed for complete models of large buildings, due to limitations of time and computer resources. The use of structural beam and shell elements for this purpose would be the obvious solution, with much lower computational cost. However, this modeling requires careful calibration in order to reproduce adequately the highly nonlinear response of structural concrete members, including bending with and without compression, cracking or plastic crushing, plastic deformation of reinforcement, erosion of vanished elements etc. The main objective of this work is to provide a strategy for modeling such scenarios based on structural elements, using available material models for structural elements [2] and techniques to include the reinforcement in a realistic way. These models are calibrated against fully three-dimensional models and shown to be accurate enough. At the same time they provide the basis for realistic simulation of impact and explosion on full-scale buildings

Coupled model of initiation and propagation of corrosion in reinforced concrete

Corrosion of reinforcing steel in concrete due to chloride ingress is one of the main causes of the deterioration of reinforced concrete structures. Structures most affected by such a corrosion are marine zone buildings and structures exposed to de-icing salts like highways and bridges. Such process is accompanied by an increase in volume of the corrosión products on the rebarsconcrete interface. Depending on the level of oxidation, iron can expand as much as six times its original volume. This increase in volume exerts tensile stresses in the surrounding concrete which result in cracking and spalling of the concrete cover if the concrete tensile strength is exceeded. The mechanism by which steel embedded in concrete corrodes in presence of chloride is the local breakdown of the passive layer formed in the highly alkaline condition of the concrete. It is assumed that corrosion initiates when a critical chloride content reaches the rebar surface. The mathematical formulation idealized the corrosion sequence as a two-stage process: an initiation stage, during which chloride ions penetrate to the reinforcing steel surface and depassivate it, and a propagation stage, in which active corrosion takes place until cracking of the concrete cover has occurred. The aim of this research is to develop computer tools to evaluate the duration of the service life of reinforced concrete structures, considering both the initiation and propagation periods. Such tools must offer a friendly interface to facilitate its use by the researchers even though their background is not in numerical simulation. For the evaluation of the initiation period different tools have been developed: Program TavProbabilidade: provides means to carry out a probability analysis of a chloride ingress model. Such a tool is necessary due to the lack of data and general uncertainties associated with the phenomenon of the chloride diffusion. It differs from the deterministic approach because it computes not just a chloride profile at a certain age, but a range of chloride profiles for each probability or occurrence. Program TavProbabilidade_Fiabilidade: carries out reliability analyses of the initiation period. It takes into account the critical value of the chloride concentration on the steel that causes breakdown of the passive layer and the beginning of the propagation stage. It differs from the deterministic analysis in that it does not predict if the corrosion is going to begin or not, but to quantifies the probability of corrosion initiation. Program TavDif_1D: was created to do a one dimension deterministic analysis of the chloride diffusion process by the finite element method (FEM) which numerically solves Fick’second Law. Despite of the different FEM solver already developed in one dimension, the decision to create a new code (TavDif_1D) was taken because of the need to have a solver with friendly interface for pre- and post-process according to the need of IETCC. An innovative tool was also developed with a systematic method devised to compare the ability of the different 1D models to predict the actual evolution of chloride ingress based on experimental measurements, and also to quantify the degree of agreement of the models with each others. For the evaluation of the entire service life of the structure: a computer program has been developed using finite elements method to do the coupling of both service life periods: initiation and propagation. The program for 2D (TavDif_2D) allows the complementary use of two external programs in a unique friendly interface: • GMSH - an finite element mesh generator and post-processing viewer • OOFEM – a finite element solver. This program (TavDif_2D) is responsible to decide in each time step when and where to start applying the boundary conditions of fracture mechanics module in function of the amount of chloride concentration and corrosion parameters (Icorr, etc). This program is also responsible to verify the presence and the degree of fracture in each element to send the Information of diffusion coefficient variation with the crack width. • GMSH - an finite element mesh generator and post-processing viewer • OOFEM – a finite element solver. The advantages of the FEM with the interface provided by the tool are: • the flexibility to input the data such as material property and boundary conditions as time dependent function. • the flexibility to predict the chloride concentration profile for different geometries. • the possibility to couple chloride diffusion (initiation stage) with chemical and mechanical behavior (propagation stage). The OOFEM code had to be modified to accept temperature, humidity and the time dependent values for the material properties, which is necessary to adequately describe the environmental variations. A 3-D simulation has been performed to simulate the behavior of the beam on both, action of the external load and the internal load caused by the corrosion products, using elements of imbedded fracture in order to plot the curve of the deflection of the central region of the beam versus the external load to compare with the experimental data.

Parametric analysis of gravity offshore structures: Part 1

The objective of this paper is to analyse the influence of the variation of some parameters used in the analysis of the dynamic response of offshore structures under the action of wind generated waves. The structural response has been obtained by stochastic methods using two discretization models. One with lumped parameters, using translational degrees of freedom (d.o.f.) and the other with one-dimensional finite elements. Using each of these methods the problem has been solved with several d.o.f., analysing the influence of the number of d.o.f. on the results.

Experimental and numerical analysis of reinforced concrete elements subjected to blast loading

El hormigón es uno de los materiales de construcción más empleados en la actualidad debido a sus buenas prestaciones mecánicas, moldeabilidad y economía de obtención, entre otras ventajas. Es bien sabido que tiene una buena resistencia a compresión y una baja resistencia a tracción, por lo que se arma con barras de acero para formar el hormigón armado, material que se ha convertido por méritos propios en la solución constructiva más importante de nuestra época. A pesar de ser un material profusamente utilizado, hay aspectos del comportamiento del hormigón que todavía no son completamente conocidos, como es el caso de su respuesta ante los efectos de una explosión. Este es un campo de especial relevancia, debido a que los eventos, tanto intencionados como accidentales, en los que una estructura se ve sometida a una explosión son, por desgracia, relativamente frecuentes. La solicitación de una estructura ante una explosión se produce por el impacto sobre la misma de la onda de presión generada en la detonación. La aplicación de esta carga sobre la estructura es muy rápida y de muy corta duración. Este tipo de acciones se denominan cargas impulsivas, y pueden ser hasta cuatro órdenes de magnitud más rápidas que las cargas dinámicas impuestas por un terremoto. En consecuencia, no es de extrañar que sus efectos sobre las estructuras y sus materiales sean muy distintos que las que producen las cargas habitualmente consideradas en ingeniería. En la presente tesis doctoral se profundiza en el conocimiento del comportamiento material del hormigón sometido a explosiones. Para ello, es crucial contar con resultados experimentales de estructuras de hormigón sometidas a explosiones. Este tipo de resultados es difícil de encontrar en la literatura científica, ya que estos ensayos han sido tradicionalmente llevados a cabo en el ámbito militar y los resultados obtenidos no son de dominio público. Por otra parte, en las campañas experimentales con explosiones llevadas a cabo por instituciones civiles el elevado coste de acceso a explosivos y a campos de prueba adecuados no permite la realización de ensayos con un elevado número de muestras. Por este motivo, la dispersión experimental no es habitualmente controlada. Sin embargo, en elementos de hormigón armado sometidos a explosiones, la dispersión experimental es muy acusada, en primer lugar, por la propia heterogeneidad del hormigón, y en segundo, por la dificultad inherente a la realización de ensayos con explosiones, por motivos tales como dificultades en las condiciones de contorno, variabilidad del explosivo, o incluso cambios en las condiciones atmosféricas. Para paliar estos inconvenientes, en esta tesis doctoral se ha diseñado un novedoso dispositivo que permite ensayar hasta cuatro losas de hormigón bajo la misma detonación, lo que además de proporcionar un número de muestras estadísticamente representativo, supone un importante ahorro de costes. Con este dispositivo se han ensayado 28 losas de hormigón, tanto armadas como en masa, de dos dosificaciones distintas. Pero además de contar con datos experimentales, también es importante disponer de herramientas de cálculo para el análisis y diseño de estructuras sometidas a explosiones. Aunque existen diversos métodos analíticos, hoy por hoy las técnicas de simulación numérica suponen la alternativa más avanzada y versátil para el cálculo de elementos estructurales sometidos a cargas impulsivas. Sin embargo, para obtener resultados fiables es crucial contar con modelos constitutivos de material que tengan en cuenta los parámetros que gobiernan el comportamiento para el caso de carga en estudio. En este sentido, cabe destacar que la mayoría de los modelos constitutivos desarrollados para el hormigón a altas velocidades de deformación proceden del ámbito balístico, donde dominan las grandes tensiones de compresión en el entorno local de la zona afectada por el impacto. En el caso de los elementos de hormigón sometidos a explosiones, las tensiones de compresión son mucho más moderadas, siendo las tensiones de tracción generalmente las causantes de la rotura del material. En esta tesis doctoral se analiza la validez de algunos de los modelos disponibles, confirmando que los parámetros que gobiernan el fallo de las losas de hormigón armado ante explosiones son la resistencia a tracción y su ablandamiento tras rotura. En base a los resultados anteriores se ha desarrollado un modelo constitutivo para el hormigón ante altas velocidades de deformación, que sólo tiene en cuenta la rotura por tracción. Este modelo parte del de fisura cohesiva embebida con discontinuidad fuerte, desarrollado por Planas y Sancho, que ha demostrado su capacidad en la predicción de la rotura a tracción de elementos de hormigón en masa. El modelo ha sido modificado para su implementación en el programa comercial de integración explícita LS-DYNA, utilizando elementos finitos hexaédricos e incorporando la dependencia de la velocidad de deformación para permitir su utilización en el ámbito dinámico. El modelo es estrictamente local y no requiere de remallado ni conocer previamente la trayectoria de la fisura. Este modelo constitutivo ha sido utilizado para simular dos campañas experimentales, probando la hipótesis de que el fallo de elementos de hormigón ante explosiones está gobernado por el comportamiento a tracción, siendo de especial relevancia el ablandamiento del hormigón. Concrete is nowadays one of the most widely used building materials because of its good mechanical properties, moldability and production economy, among other advantages. As it is known, it has high compressive and low tensile strengths and for this reason it is reinforced with steel bars to form reinforced concrete, a material that has become the most important constructive solution of our time. Despite being such a widely used material, there are some aspects of concrete performance that are not yet fully understood, as it is the case of its response to the effects of an explosion. This is a topic of particular relevance because the events, both intentional and accidental, in which a structure is subjected to an explosion are, unfortunately, relatively common. The loading of a structure due to an explosive event occurs due to the impact of the pressure shock wave generated in the detonation. The application of this load on the structure is very fast and of very short duration. Such actions are called impulsive loads, and can be up to four orders of magnitude faster than the dynamic loads imposed by an earthquake. Consequently, it is not surprising that their effects on structures and materials are very different than those that cause the loads usually considered in engineering. This thesis broadens the knowledge about the material behavior of concrete subjected to explosions. To that end, it is crucial to have experimental results of concrete structures subjected to explosions. These types of results are difficult to find in the scientific literature, as these tests have traditionally been carried out by armies of different countries and the results obtained are classified. Moreover, in experimental campaigns with explosives conducted by civil institutions the high cost of accessing explosives and the lack of proper test fields does not allow for the testing of a large number of samples. For this reason, the experimental scatter is usually not controlled. However, in reinforced concrete elements subjected to explosions the experimental dispersion is very pronounced. First, due to the heterogeneity of concrete, and secondly, because of the difficulty inherent to testing with explosions, for reasons such as difficulties in the boundary conditions, variability of the explosive, or even atmospheric changes. To overcome these drawbacks, in this thesis we have designed a novel device that allows for testing up to four concrete slabs under the same detonation, which apart from providing a statistically representative number of samples, represents a significant saving in costs. A number of 28 slabs were tested using this device. The slabs were both reinforced and plain concrete, and two different concrete mixes were used. Besides having experimental data, it is also important to have computational tools for the analysis and design of structures subjected to explosions. Despite the existence of several analytical methods, numerical simulation techniques nowadays represent the most advanced and versatile alternative for the assessment of structural elements subjected to impulsive loading. However, to obtain reliable results it is crucial to have material constitutive models that take into account the parameters that govern the behavior for the load case under study. In this regard it is noteworthy that most of the developed constitutive models for concrete at high strain rates arise from the ballistic field, dominated by large compressive stresses in the local environment of the area affected by the impact. In the case of concrete elements subjected to an explosion, the compressive stresses are much more moderate, while tensile stresses usually cause material failure. This thesis discusses the validity of some of the available models, confirming that the parameters governing the failure of reinforced concrete slabs subjected to blast are the tensile strength and softening behaviour after failure. Based on these results we have developed a constitutive model for concrete at high strain rates, which only takes into account the ultimate tensile strength. This model is based on the embedded Cohesive Crack Model with Strong Discontinuity Approach developed by Planas and Sancho, which has proved its ability in predicting the tensile fracture of plain concrete elements. The model has been modified for its implementation in the commercial explicit integration program LS-DYNA, using hexahedral finite elements and incorporating the dependence of the strain rate, to allow for its use in dynamic domain. The model is strictly local and does not require remeshing nor prior knowledge of the crack path. This constitutive model has been used to simulate two experimental campaigns, confirming the hypothesis that the failure of concrete elements subjected to explosions is governed by their tensile response, being of particular relevance the softening behavior of concrete.