Reproduction de : Habilitation à diriger des recherches : Sciences mathématiques. Mécanique : Lille 1 : 2005. / N° d'ordre (Lille 1) : 486. Textes en français et en anglais. Titre provenant de la page de titre du document numérisé. Bibliogr. p. [117]-127.

Ce travail de thèse est une recherche sur l'interaction entre des états atomiques excités électroniquement et un environnement non réactif. Nous avons étudié théoriquement et expérimentalement des situations où un atome métallique (K et Ba) est placé dans un environnement de taille finie (agrégat d’argon). La présence de l'environnement affecte les niveaux électroniques de l'atome. En retour, l'excitation de l'atome induit une dynamique de relaxation de l'énergie électronique via les déformations du système atome-agrégat. La partie expérimentale du travail porte sur les deux aspects : spectroscopie et dynamique. Dans les deux cas un premier laser porte l'atome métallique dans un état électronique excité et un second l'ionise. L'observable est le spectre de photoélectrons enregistré après photo ionisation éventuellement complétée par des informations sur les photo-ions qui sont également produits. Cette technique à deux lasers conduit à des mesures de dynamique selon la technique pompe-sonde quand les lasers utilisés sont à impulsion ultracourte (60 fs). L'utilisation de lasers nanosecondes, conduit à des mesures de résonance non résolues temporellement qui donnent des informations spectroscopiques sur la position des niveaux d'énergie du système étudié. D’un point de vue théorique, les états excités du système M-Ar_n ont été calculés ab-initio en utilisant des pseudo-potentiels à grand cœur pour limiter les électrons actifs aux seuls électrons de valence du métal. L’étude d’un métal alcalin (potassium) rend cette méthode particulièrement attractive car un seul électron est actif. Le calcul ab-initio et une simulation Monte-Carlo ont été couplés pour optimiser la géométrie d'agrégats KAr_n (n=1-10) quand K est dans l'état fondamental, excité dans les états 4p ou 5s ou ionisé vers l'état fondamental de l'ion. Des calculs ont également été conduits en collaboration avec B. Gervais (CIMAP, Caen) sur des agrégats KAr_n comportant plusieurs dizaines d'atomes Ar. Des spectres d'absorption ont également été calculés. D’un point de vue expérimental, nous avons pu caractériser les niveaux électroniques excités du potassium et du baryum perturbés par l’agrégat. Dans les deux cas une bande ∏, liante, et une bande ∑, anti-liante, ont été observées. Dans le cas du potassium, nous avons montré que l’excitation dans la bande ∑ conduisait à une éjection de l’agrégat en 1-2 ps alors que pour le baryum, l’état électronique relaxe majoritairement sur l’état ∏ en ≈ 6 ps et ne conduit pas à une éjection. L’interprétation fait appel aux structures et aux potentiels calculés. Une étude équivalente a été conduite sur la molécule de DABCO déposée sur agrégat. Au contraire de K et Ba, le premier état excité de cette molécule a un fort caractère isotrope et diffus, ce qui confère un caractère particulier à la dynamique photoinduite. / This thesis is a study on the interaction between electronically excited atomic states and a non-reactive environment. We have theoretically and experimentally studied situations where a metal atom (Ba or K) is placed in a finite size environment (argon cluster). The presence of the medium affects the electronic levels of the atom. On the other side, the excitation of the atom induces a relaxation dynamics of the electronic energy through the deformation of the cluster. The experimental part of this work focuses on two aspects : the spectroscopy and the dynamics. In both cases a first laser electronically excites the metal atom and the second ionizes the excited system. The observable is the photoelectron spectrum recorded after photoionization and possibly information on the photoion which are also produced. This pump/probe technique, with also two lasers, provide the ultrafast dynamic when the lasers pulses used are of ultrashort (60 fs ). The use of nanosecond lasers leads to resonance spectroscopic measurement, unresolved temporally, which give information on the position of the energy levels of the studied system. From a theoretical point-of-view, the excited states of M-Ar_n were calculated at the ab initio level, using large core pseudo-potential to limit the active electrons of the metal to valence electrons. The study of alkali metals (potassium) is especially well adapted to this method since only one electron is active. The ab-initio calculation and a Monte-Carlo simulation where coupled to optimize the geometry of the KAr_n (n = 1-10) cluster when K is in the ground state of the neutral and the ion, or excited in the 4p or 5s state. Calculations were also conducted in collaboration with B. Gervais (CIMAP, Caen) on KAr_n clusters having several tens of argon atoms. Absorption spectra were also calculated. From an experimental point-of-view, we were able to characterize the excited states of potassium and barium perturbed by the clusters. In both cases a binding ∏-state, and an anti-binding ∑ -state were observed. In the case of potassium, we observered that the excitation on the ∑ -state leads to the ejection of the metal within 1-2 ps while for barium, the excited state relaxes mainly on the ∏-state within 6 ps and does not followed by an ejection. The interpretation of these results uses the structures and potential calculated. A similar study was conducted on the DABCO molecule deposited argon cluster. Instead of K and Ba, the first excited state of this molecule is a diffuse isotropic state, which gives a specific relaxation to the photoinduced dynamics.

Ce travail de thèse est une recherche sur l'interaction entre des états atomiques excités électroniquement et un environnement non réactif. Nous avons étudié théoriquement et expérimentalement des situations où un atome métallique (K et Ba) est placé dans un environnement de taille finie (agrégat d'argon). La présence de l'environnement affecte les niveaux électroniques de l'atome. En retour, l'excitation de l'atome induit une dynamique de relaxation de l'énergie électronique via les déformations du système atome-agrégat. La partie expérimentale du travail porte sur les deux aspects : spectroscopie et dynamique. Dans les deux cas un premier laser porte l'atome métallique dans un état électronique excité et un second l'ionise. L'observable est le spectre de photoélectrons enregistré après photo ionisation éventuellement complétée par des informations sur les photo-ions qui sont également produits. Cette technique à deux lasers conduit à des mesures de dynamique selon la technique pompe-sonde quand les lasers utilisés sont à impulsion ultracourte (60 fs). L'utilisation de lasers nanosecondes, conduit à des mesures de résonance non résolues temporellement qui donnent des informations spectroscopiques sur la position des niveaux d'énergie du système étudié. D'un point de vue théorique, les états excités du système M-Ar_n ont été calculés ab-initio en utilisant des pseudo-potentiels à grand cœur pour limiter les électrons actifs aux seuls électrons de valence du métal. L'étude d'un métal alcalin (potassium) rend cette méthode particulièrement attractive car un seul électron est actif. Le calcul ab-initio et une simulation Monte-Carlo ont été couplés pour optimiser la géométrie d'agrégats KAr_n (n=1-10) quand K est dans l'état fondamental, excité dans les états 4p ou 5s ou ionisé vers l'état fondamental de l'ion. Des calculs ont également été conduits en collaboration avec B. Gervais (CIMAP, Caen) sur des agrégats KAr_n comportant plusieurs dizaines d'atomes Ar. Des spectres d'absorption ont également été calculés. D'un point de vue expérimental, nous avons pu caractériser les niveaux électroniques excités du potassium et du baryum perturbés par l'agrégat. Dans les deux cas une bande ∏, liante, et une bande ∑, anti-liante, ont été observées. Dans le cas du potassium, nous avons montré que l'excitation dans la bande ∑ conduisait à une éjection de l'agrégat en 1-2 ps alors que pour le baryum, l'état électronique relaxe majoritairement sur l'état ∏ en ≈ 6 ps et ne conduit pas à une éjection. L'interprétation fait appel aux structures et aux potentiels calculés. Une étude équivalente a été conduite sur la molécule de DABCO déposée sur agrégat. Au contraire de K et Ba, le premier état excité de cette molécule a un fort caractère isotrope et diffus, ce qui confère un caractère particulier à la dynamique photoinduite.

Designing structures for lightness is an intelligent and responsible way for engineers and architects to conceive structural systems. Lightweight structures are able to bridge wide spans with a least amount of material. However, the quest for lightness remains an utopia without the driving constraints that give sense to contemporary structural design.<p><p>Previously proposed computational methods for designing lightweight structures focused either on finding an equilibrium shape, or are restricted to fairly small design applications. In this work, we aim to develop a general, robust, and easy-to-use method that can handle many design parameters efficiently. These considerations have led to truss layout optimization, whose goal is to find the best material distribution within a given design domain discretized by a grid of nodal points and connected by tentative bars. <p><p>This general approach is well established for topology optimization where structural component sizes and system connectivity are simultaneously optimized. The range of applications covers limit analysis and identification of failure mechanisms in soils and masonries. However, to fully realize the potential of truss layout optimization for the design of lightweight structures, the consideration of geometrical variables is necessary. <p><p>The resulting truss geometry and topology optimization problem raises several fundamental and computational challenges. Our strategy to address the problem combines mathematical programming and structural mechanics: the structural properties of the optimal solution are used for devising the novel formulation. To avoid singularities arising in optimal configurations, the present approach disaggregates the equilibrium equations and fully integrates their basic elements within the optimization formulation. The resulting tool incorporates elastic and plastic design, stress and displacements constraints, as well as self-weight and multiple loading.<p><p>Besides, the inherent slenderness of lightweight structures requires the study of stability issues. As a remedy, we develop a conceptually simple but efficient method to include local and nodal stability constraints in the formulation. Several numerical examples illustrate the impact of stability considerations on the optimal design.<p><p>Finally, the investigation on realistic design problems confirms the practical applicability of the proposed method. It is shown how we can generate a range of optimal designs by varying design settings. In that regard, the computational design method mostly requires the designer a good knowledge of structural design to provide the initial guess. / Doctorat en Sciences de l'ingénieur / info:eu-repo/semantics/nonPublished

The goal of this thesis is the development of theoretical methods targeting the implementation of topology optimization in structural engineering applications. In civil engineering applications, structures are typically assemblies of many standardized components, such as bars, where the largest gains in efficiency can be made during the preliminary design of the overall structure. The work is aimed mainly at truss-like structures in civil engineering applications, however several of the developments are general enough to encompass continuum structures and other areas of engineering research too. The research aims to address the following challenges:<p>- Discrete variable optimization, generally necessary for truss problems in civil engineering, tends to be computationally very expensive,<p>- the gap between industrial applications in civil engineering and optimization research is quite large, meaning that the developed methods are currently not fully embraced in practice, and<p>- industrial applications demand robust and reliable solutions to the real-world problems faced by the civil engineering profession.<p><p>In order to face these challenges, the research is divided into several research papers, included as chapters in the thesis.<p>Discrete binary variables in structural topology optimization often lead to very large computational cost and sometimes even failure of algorithm convergence. A novel method was developed for improving the performance of topology optimization problems in truss-like structures with discrete design variables, using so-called Kinematic Stability Repair (KSR). Two typical examples of topology optimization problems with binary variables are bracing systems and steel grid shell structures. These important industrial applications of topology optimization are investigated in the thesis. A novel method is developed for topology optimization of grid shells whose global shape has been determined by form-finding. Furthermore a novel technique for façade bracing optimization is developed. In this application a multiobjective approach was used to give the designers freedom to make changes, as the design advanced at various stages of the design process. The application of the two methods to practical<p>engineering problems, inspired a theoretical development which has wide-reaching implications for discrete optimization: the pitfalls of symmetry reduction. A seemingly self-evident method of cardinality reduction makes use of geometric symmetry reduction in structures in order to reduce the problem size. It is shown in the research that this assumption is not valid for discrete variable problems. Despite intuition to the contrary, for symmetric problems, asymmetric solutions may be more optimal than their symmetric counterparts. In reality many uncertainties exist on geometry, loading and material properties in structural systems. This has an effect on the performance (robustness) of the non-ideal, realized structure. To address this, a general robust topology optimization framework for both continuum and truss-like structures, developing a novel analysis technique for truss structures under material uncertainties, is introduced. Next, this framework is extended to discrete variable, multiobjective optimization problems of truss structures, taking uncertainties on the material stiffness and the loading into account. Two papers corresponding to the two chapters were submitted to the journal Computers and Structures and Structural and Multidisciplinary Optimization. Finally, a concluding chapter summarizes the main findings of the research. A number of appendices are included at the end of the manuscript, clarifying several pertinent issues. / Doctorat en Sciences de l'ingénieur / info:eu-repo/semantics/nonPublished

Though lots of numerical methods have been proposed in the literature to optimize me-chanical structures at the final stage of the design process, few designers use these tools since the first stage. However, a minor modification at the first step can bring significant change to the global performances of the structure. Usually, during the initial stage, models are based on theoretical and empirical equations, which are often characterized by mixed variables: continuous (e.g. geometrical dimensions), discrete (e.g. the cross section of a beam available in a catalogue) and/or integer (e.g. the number of layers in a composite material). Furthermore, the functions involved may be non differentiable, or even discontinuous. Therefore, classical algorithms based on the computation of sensi-tivities are no more applicable. <p><p>Consequently, to solve these problems, the most wide-spread meta-heuristic methods are evolutionary algorithms (EAs), which work as follows: the best individuals among an initial population of randomly generated potential solutions are favoured and com-bined (by specific operators like crossover and mutation) in order to create potentially better individuals at the next generation. The creation of new generations is repeated till the convergence is reached. The ability of EAs to explore widely the design space is useful to solve single-objective unconstrained optimization problems, because it gener-ally prevents from getting trapped into a local optimum, but it is also well known that they do not perform very efficiently in the presence of constraints. Furthermore, in many industrial applications, multiple objectives are pursued together. <p><p>Therefore, to take into account the constrained and multicriteria aspects of optimization problems in EAs, a new method called PAMUC (Preferences Applied to MUltiobjectiv-ity and Constraints) has been proposed in this dissertation. First the user has to assign weights to the m objectives. Then, an additional objective function is built by linearly aggregating the normalized constraints. Finally, a multicriteria decision aid method, PROMETHEE II, is used in order to rank the individuals of the population following the m+1 objectives. <p><p>PAMUC has been validated on standard multiobjective test cases, as well as on the pa-rametrical optimization of the purge valve and the feed valve of the Vinci engine, both designed by Techspace Aero for launcher Ariane 5.<p>\ / Doctorat en sciences appliquées / info:eu-repo/semantics/nonPublished