Through the last decades several nonlocal models of linear elasticity have been introduced as enhancements of the Cauchy-elastic model, often with the purpose of providing an improved mechanical description of solids at the microscale level. Although many efforts have been devoted to the analytical formulation of these advanced constitutive models, a definitive interpretation of the relevant static quantities is still incomplete and Finite Element (FE) solvers are practically unavailable. In this thesis, after providing a mechanical interpretation to the static quantities involved in strain gradient (of Mindlin type) elastic materials, an overview on the possible quadrilateral Hermitian finite elements is given to treat quasi-static plane problems. Beside the classical finite elements inspired by those adopted for modeling Kirchhoff plates, an alternative quadrilateral self-constrained finite element formulated through Lagrange multipliers is also proposed. With reference to a hexagonal lattice structure, for which the equivalent constitutive tensors have been recently derived as closed-form expressions, the developed FE codes are exploited to assess the reliability of modelling lattices through higher-order constitutive equations. These analyses are developed for one-dimensional and two dimensional problems, where the former are considered for both homogeneous layers (with a finite size in one direction) and rod-type structures (with a finite uniform cross section along one direction). It is confirmed that higher-order modelling improves the mechanical description. In particular, the macroscale response is shown to be strongly affected by higher-order contributions in the presence of extreme elastic contrast between microstructural elements. Indeed, in this last case, only higher-order modeling captures a non-null residual stiffness, which vanishes in the framework of classical models. Therefore, higher-order modeling becomes important not only to describe the mechanical response at a microlevel, but also for macrolevel modelling, when extreme mechanical properties are addressed. The presented results pave the way to a refined modelling of architected materials leading to improved design of microstructures displaying innovative mechanical features.

There are a number of experiments showing that the ductility of aluminum alloys decreases during age-hardening heat treatment. Observing the grains of age-hardened aluminum alloys at the micron scale, one can notice that there are precipitate-free zones (PFZs) along the grain boundaries. PFZ has yield stress three times lower than the grain interior (bulk) due to absence of alloying elements. As a result, PFZ is suspected to be the reason for ductility reduction of alloys. On the other hand, a number of experiments performed on specimens with micron-scale dimensions have shown that the plastic deformation of crystalline materials is size-dependent. These micron-scale dimensions which can influence the mechanical behavior, such as yield stress or hardening, are not taken into account in the conventional plasticity theory, therefore another theory has been developed. That theory is Strain Gradient Plasticity (SGP). The specific SGP theory used here is a so called ‘higherorder theory’ in the sense that higher order stresses as well as additional boundary conditions are included in the theory. SGP theory also includes length scale parameters in order to be dimensionally consistent. On a recent study conducted by Fourmeau et al. (Fourmeau, 2015), transmission electron microscopy (TEM) is used to display the geometrical properties and the chemical composition of PFZ in the AA7075-T651 aluminum alloy. It is observed that the width of PFZ is about 20 to 40 nm. In the present thesis, the properties for PFZ and bulk material provided by that study are used for a micromechanical finite element model of a microstructure including the bulk, PFZ and the grain boundary (GB). A uniaxial loading condition is applied to the representative volume element (RVE) and SGP theory is hired in order to capture the plastic strain fields as well as the stress triaxiality in PFZ and bulk region. Moreover a damage criterion is employed and studied for models with PFZ and without PFZ to understand the role of PFZ in reduction of the ductility of aluminum alloys. It is found that the damage parameter is much higher in the presence of PFZ. Finally, the void growth is studied by adding voids at critical locations to the model.

A proper description of quasi-brittle failure within the frame of continuum Mechanics can only be achieved by models based on so-called generalised continua. This thesis focuses on a strain gradient generalised continuum and provides a specific methodology to derive corresponding models which account for the essential features of quasi-brittle failure. This methodology is discussed by means of four peer-reviewed journal articles. Furthermore, an extensive overview of the state of the art in the field of generalised continua is given at the beginning of the thesis. This overview discusses phenomenological extensions of standard Continuum Mechanics towards generalised continua together with corresponding homogenisation strategies for materials with periodic or random microstructure. / Eine geeignete, kontinuumsmechanische Beschreibung quasi-spröden Versagens ist nur unter Verwendung verallgemeinerter Kontinuumstheorien möglich. In dieser Habilitationsschrift stehen sogenannte Gradientenkontinua im Vordergrund. Für diese wird eine Methodik vorgeschlagen, welche die Herleitung von Modellen erlaubt, die in der Lage sind, quasi-sprödes Versagen adäquat abzubilden. Diese Methodik wird anhand von vier Publikationen dargestellt und diskutiert. Ein umfangreicher Überblick über den Stand der Forschung auf dem Gebiet der veralgemeinerten Kontinuumstheorien wird am Anfang der Habilitationschrift gegeben. Dabei werden neben phänomenologischen Ansätzen zur Ableitung verallgemeinerter Kontinuumstheorien auch die entsprechenden Homogenisierungskonzepte dargestellt. Letztere werden für Materialien mit periodischer Mikrostruktur und für Materialien mit zufälliger Mikrostruktur diskutiert.

Owing to continuous miniaturization, many modern high-technology applications such as medical and optical devices, thermal barrier coatings, electronics, micro- and nano-electro mechanical systems (MEMS and NEMS), gems industry and semiconductors increasingly use components with sizes down to a few micrometers and even smaller. Understanding their deformation mechanisms and assessing their mechanical performance help to achieve new insights or design new material systems with superior properties through controlled microstructure at the appropriate scales. However, a fundamental understanding of mechanical response in surface-dominated structures, different than their bulk behaviours, is still elusive. In this thesis, the size effect in a single-crystal Ti alloy (Ti15V3Cr3Al3Sn) is investigated. To achieve this, nanoindentation and micropillar (with a square cross-section) compression tests were carried out in collaboration with Swiss Federal Laboratories for Materials Testing and Research (EMPA), Switzerland. Three-dimensional finite element models of compression and indentation with an implicit time-integration scheme incorporating a strain-gradient crystal-plasticity (SGCP) theory were developed to accurately represent deformation of the studied body-centered cubic metallic material. An appropriate hardening model was implemented to account for strain-hardening of the active slip systems, determined experimentally. The optimized set of parameters characterizing the deformation behaviour of Ti alloy was obtained based on a direct comparison of simulations and the experiments. An enhanced model based on the SGCP theory (EMSGCP), accounting for an initial microstructure of samples in terms of different types of dislocations (statistically stored and geometrically necessary dislocations), was suggested and used in the numerical analysis. This meso-scale continuum theory bridges the gap between the discrete-dislocation dynamics theory, where simulations are performed at strain rates several orders of magnitude higher than those in experiments, and the classical continuum-plasticity theory, which cannot explain the dependence of mechanical response on a specimen s size since there is no length scale in its constitutive description. A case study was performed using a cylindrical pillar to examine, on the one hand, accuracy of the proposed EMSGCP theory and, on the other hand, its universality for different pillar geometries. An extensive numerical study of the size effect in micron-size pillars was also implemented. On the other hand, an anisotropic character of surface topographies around indents along different crystallographic orientations of single crystals obtained in numerical simulations was compared to experimental findings. The size effect in nano-indentation was studied numerically. The differences in the observed hardness values for various indenter types were investigated using the developed EMSGCP theory.

L'objectif principal du travail réalisé au cours de la thèse consistera à proposer une démarche théorique rigoureuse visant à intégrer les éléments microstructuraux et les gradients de déformation dans une approche micromécanique. La thèse comportera deux volets : - Dans une première partie, on s'attachera à établir un cadre théorique rigoureux permettant d'intégrer les effets du gradient de la déformation et les longueurs caractéristiques de la microstructure sur le comportement effectif des matériaux composites - L'approche par développement asymptotique conduit à la résolution d'une succession problèmes d'élasticité tridimensionnelle posée sur une cellule élémentaire du milieu périodique. La résolution de ces problèmes d'élasticité, et par conséquent la détermination des propriétés effectives du composite, nécessite la mise en œuvre d'une méthode de résolution numérique. Dans cette seconde partie du travail, il s'agira de proposer une méthode de résolution basée sur la transformée de Fourier rapide (Méthode FFT) / The main objective of the thesis is to provide a rigorous theoretical approach to integrating the microstructural effects and deformation gradients in a micromechanical approach. The thesis has two components:- In the first part, we will focus on establishing a rigorous theoretical framework for integrating the effects of the deformation gradient and the characteristic lengths of the microstructure on the effective behavior of composite materials - The asymptotic expansion approach leads to the resolution of a series of three-dimensional elasticity problems posed on a unit cell of the periodic medium. Solving these problems of elasticity, and therefore the determination of the effective properties of the composite, requires the implementation of a numerical method. In this second part of the work, it will propose a resolution method based on fast Fourier transform (FFT method)

L'irradiation peut modifier les propriétés mécaniques des aciers inoxydables austénitiques. Une diminution de la ténacité à la rupture des aciers en fonction de la dose est observée. La rupture ductile due à la croissance et la coalescence des cavités est toujours un mécanisme dominant dans les aciers irradiés jusqu'à 10 dpa. Des cavités peuvent être crées de manière différente : nucléées à partir des inclusions ou des précipités d'irradiation, ou créées directement par irradiation. Cette thèse a pour objectif d'étudier la rupture ductile des aciers irradiés due à la croissance et la coalescence des cavités intragranulaires. Basée sur la plasticité cristalline, des simulations en éléments finis sont effectuées sur les cellules unitaires pour étudier l'effet de l'orientation cristallographique et de la triaxialité de contraintes sur la croissance et la coalescence des cavités. L'effet de l'écrouissage post-irradiation sur la croissance et la coalescence des cavités est étudié avec un modèle de la plasticité cristalline prenant compte des défauts d'irradiation. En outre, un modèle élastomère-visco-plastique en grandes transformations est proposé pour décrire la croissance des cavités dans le monocristal. Le modèle est appliqué à la simulation de l'endommagement ductile dans le monocristal et le polycristal. Des cavités peuvent avoir des tailles différentes et la taille peut avoir une influence sur la ténacité à la rupture des aciers. Afin d'étudier cet effet, un modèle micromorphe de plasticité cristalline est proposé et appliqué à la simulation de la croissance et la coalescence des cavités intragranulaires de différentes tailles ainsi qu'aux phénomènes de localisation dans les monocristaux. / Irradiation causes drastic modifications of mechanical properties of austenitic stainless steels and a decrease in the fracture toughness with irradiation has been observed. Ductile fracture due to void growth and coalescence remains one dominant fracture mechanism for doses in the range of 0-10 dupa. Voids may have different origins : nucleated at inclusions or irradiation-induced precipitates during mechanical loading, or produced directly by irradiation. The present work is to investigate ductile fracture of irradiated steels due to growth and coalescence of intragranulaire voids. Based on continuum crystal plasticity theory, FE simulations are performed on unit cells for studying effects of lattice orientation and stress triaxiality on void growth and coalescence. The influence of post-irradiation hardening/softening on void growth ans coalescence is evaluated with a physically based crystal plasticity model. Besides, an elastoviscoplastic model at finite strains is proposed to describe void growth up to coalescence in single crystals, and is assessed based unit cell simulations. The model is then applied to simulate ductile damage in single crystals ans polycrystals. As voids in irradiated steels may have different origins, they may have different sizes, which potentially have an influence on ductile fracture process and fracture toughness of irradiated steels. In order to assess the size effect, a micromorphic crystal plasticity model is proposed and applied to simulate growth and coalescence of intragranular voids of different sizes.

Contrary to elastic deformation, plastic deformation of crystalline materials, such as metals, is size-dependent. Most commonly, this phenomenon is present but unnoticed, such as the effect of microstructural length scales. The grain size in metallic materials is a length scale that affects material parameters such as yield stress and hardening moduli. In addition, several experiments performed in recent years on specimens with geometrical dimensions on the micron scale have shown that these dimensions also influence the mechanical behaviour. The work presented in this thesis involves continuum modelling and simulation of size-dependent plastic deformation, with emphasis on thin films and the formulation of interface conditions. A recently published strain gradient plasticity framework for isotropic materials [Gudmundson, P., 2004. A unified treatment of strain gradient plasticity. Journal of the Mechanics and Physics of Solids 52, 1379-1406] is used as a basis for the work. The theory is higher-order in the sense that additional boundary conditions are required and, as a consequence, higher-order stresses appear in the theory. For dimensional consistency, length scale parameters enter the theory, which is not the case for conventional plasticity theory. In Paper A and B, interface conditions are formulated in terms of a surface energy. The surface energy is assumed to depend on the plastic strain state at the interface and different functional forms are investigated. Numerical results are generated with the finite element method and it is found that this type of interface condition can capture the boundary layers that develop at the substrate interface in thin films. Size-effects are captured in the hardening behaviour as well as the yield strength. In addition, it is shown that there is an equivalence between a surface energy varying linearly in plastic strain and a viscoplastic interface law for monotonous loading. In paper C, a framework of finite element equations is formulated, of which a plane strain version is implemented in a commercial finite element program. Results are presented for an idealized problem of a metal matrix composite and several element types are examined numerically. In paper D, the implementation is used in a numerical study of wedge indentation of a thin film on an elastic substrate. Several trends that have been observed experimentally are captured in the theoretical predictions. Increased hardness at shallow depths due to gradient effects as well as increased hardness at more significant depths due to the presence of the substrate are found. It is shown that the hardening behaviour of the film has a large impact on the substrate effect and that either pile-up or sink-in deformation modes may be obtained depending on the material length scale parameter. Finally, it is qualitatively demonstrated that the substrate compliance has a significant effect on the calculated hardness of the film. / QC 20100723

A proper description of quasi-brittle failure within the frame of continuum Mechanics can only be achieved by models based on so-called generalised continua. This thesis focuses on a strain gradient generalised continuum and provides a specific methodology to derive corresponding models which account for the essential features of quasi-brittle failure. This methodology is discussed by means of four peer-reviewed journal articles. Furthermore, an extensive overview of the state of the art in the field of generalised continua is given at the beginning of the thesis. This overview discusses phenomenological extensions of standard Continuum Mechanics towards generalised continua together with corresponding homogenisation strategies for materials with periodic or random microstructure.:1 Introduction 7 2 Generalised Continua - a journey 9 2.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 2.2 Principal classes of generalised continua . . . . . . . . . . . . . . . . . 10 2.2.1 Polar field theories and their relatives . . . . . . . . . . . . . . 10 2.2.2 Non-local continua . . . . . . . . . . . . . . . . . . . . . . . . 14 2.3 Generalised continua by explicit homogenisation . . . . . . . . . . . . 15 2.3.1 Random micro-structures . . . . . . . . . . . . . . . . . . . . . 15 2.3.2 Periodic micro-structures . . . . . . . . . . . . . . . . . . . . . 18 2.3.3 Generalised homogenisation based on polynomials . . . . . . 20 3 Modelling of quasi-brittle failure 25 3.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25 3.2 Methodology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 3.3 Discussion of main results . . . . . . . . . . . . . . . . . . . . . . . . . 26 3.4 Outlook . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28 Bibliography 29 4 Collection of articles reflecting the author’s contribution 35 / Eine geeignete, kontinuumsmechanische Beschreibung quasi-spröden Versagens ist nur unter Verwendung verallgemeinerter Kontinuumstheorien möglich. In dieser Habilitationsschrift stehen sogenannte Gradientenkontinua im Vordergrund. Für diese wird eine Methodik vorgeschlagen, welche die Herleitung von Modellen erlaubt, die in der Lage sind, quasi-sprödes Versagen adäquat abzubilden. Diese Methodik wird anhand von vier Publikationen dargestellt und diskutiert. Ein umfangreicher Überblick über den Stand der Forschung auf dem Gebiet der veralgemeinerten Kontinuumstheorien wird am Anfang der Habilitationschrift gegeben. Dabei werden neben phänomenologischen Ansätzen zur Ableitung verallgemeinerter Kontinuumstheorien auch die entsprechenden Homogenisierungskonzepte dargestellt. Letztere werden für Materialien mit periodischer Mikrostruktur und für Materialien mit zufälliger Mikrostruktur diskutiert.:1 Introduction 7 2 Generalised Continua - a journey 9 2.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 2.2 Principal classes of generalised continua . . . . . . . . . . . . . . . . . 10 2.2.1 Polar field theories and their relatives . . . . . . . . . . . . . . 10 2.2.2 Non-local continua . . . . . . . . . . . . . . . . . . . . . . . . 14 2.3 Generalised continua by explicit homogenisation . . . . . . . . . . . . 15 2.3.1 Random micro-structures . . . . . . . . . . . . . . . . . . . . . 15 2.3.2 Periodic micro-structures . . . . . . . . . . . . . . . . . . . . . 18 2.3.3 Generalised homogenisation based on polynomials . . . . . . 20 3 Modelling of quasi-brittle failure 25 3.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25 3.2 Methodology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 3.3 Discussion of main results . . . . . . . . . . . . . . . . . . . . . . . . . 26 3.4 Outlook . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28 Bibliography 29 4 Collection of articles reflecting the author’s contribution 35

The thesis presents a novel computational method for analysing the static and dynamic behaviour of a multi-damaged beam using local and non-local elasticity theories. Most of the lumped damage beam models proposed to date are based on slender beam theory in classical (local) elasticity and are limited by inaccuracies caused by the implicit assumption of the Euler-Bernoulli beam model and by the spring model itself, which simplifies the real beam behaviour around the crack. In addition, size effects and material heterogeneity cannot be taken into account using the classical elasticity theory due to the absence of any microstructural parameter. The proposed work is based on the inhomogeneous Euler-Bernoulli beam theory in which a Dirac's delta function is added to the bending flexibility at the position of each crack: that is, the severer the damage, the larger is the resulting impulsive term. The crack is assumed to be always open, resulting in a linear system (i.e. nonlinear phenomena associated with breathing cracks are not considered). In order to provide an accurate representation of the structure's behaviour, a new multi-cracked beam element including shear effects and rotatory inertia is developed using the flexibility approach for the concentrated damage. The resulting stiffness matrix and load vector terms are evaluated by the unit-displacement method, employing the closed-form solutions for the multi-cracked beam problem. The same deformed shapes are used to derive the consistent mass matrix, also including the rotatory inertia terms. The two-node multi-damaged beam model has been validated through comparison of the results of static and dynamic analyses for two numerical examples against those provided by a commercial finite element code. The proposed model is shown to improve the computational efficiency as well as the accuracy, thanks to the inclusion of both shear deformations and rotatory inertia. The inaccuracy of the spring model, where for example for a rotational spring a finite jump appears on the rotations' profile, has been tackled by the enrichment of the elastic constitutive law with higher order stress and strain gradients. In particular, a new phenomenological approach based upon a convenient form of non-local elasticity beam theory has been presented. This hybrid non-local beam model is able to take into account the distortion on the stress/strain field around the crack as well as to include the microstructure of the material, without introducing any additional crack related parameters. The Laplace's transform method applied to the differential equation of the problem allowed deriving the static closed-form solution for the multi-cracked Euler-Bernoulli beams with hybrid non-local elasticity. The dynamic analysis has been performed using a new computational meshless method, where the equation of motions are discretised by a Galerkin-type approximation, with convenient shape functions able to ensure the same grade of approximation as the beam element for the classical elasticity. The importance of the inclusion of microstructural parameters is addressed and their effects are quantified also in comparison with those obtained using the classical elasticity theory.

In this thesis, the focus has been on micro-mechanical mechanisms in polymer-based materials and structures. The first part of the thesis treats length-scale effects on polymer materials. Experiments have showed that the smaller the specimen, the stronger is the material. The length-scale effect was examined experimentally in two different polymers materials, polystyrene and epoxy. First micro-indentations to various depths were made on polystyrene. The experiments showed that length-scale effects in inelastic deformations exist in polystyrene. It was also possible to show a connection between the experimental findings and the molecular length. The second experimental study was performed on glass-sphere filled epoxy, where the damage development for tensile loading was investigated. It could be showed that the debond stresses increased with decreasing sphere diameter. The debonding grew along the interface and eventually these cracks kinked out into the matrix. It was found that the length to diameter ratio of the matrix cracks increased with increasing diameter. The experimental findings may be explained by a length-scale effect in the yield process which depends on the strain gradients. The second part of the thesis treats mechano-sorptive creep in paper, i.e. the acceleration of creep by moisture content changes. Paper can be seen as a polymer based composite that consists of a network of wood fibres, which in its turn are natural polymer composites. A simplified network model for mechano-sorptive creep has been developed. It is assumed that the anisotropic hygroexpansion of the fibres leads to large stresses at the fibre-fibre bonds when the moisture content changes. The resulting stress state will accelerate creep if the fibre material obeys a constitutive law that is non-linear in stress. Fibre kinks are included in order to capture experimental observations of larger mechano-sorptive creep effects in compression than in tension. Furthermore, moisture dependent material parameters and anisotropy are taken into account. Theoretical predictions based on the developed model are compared to experimental results for anisotropic paper both under tensile and compressive loading at varying moisture content. The important features in the experiments are captured by the model. Different kinds of drying conditions have also been examined. / QC 20100910