Дисертації з теми "Surfaces – Texture – Simulation, Méthodes de"
Оформте джерело за APA, MLA, Chicago, Harvard та іншими стилями
Ознайомтеся з топ-27 дисертацій для дослідження на тему "Surfaces – Texture – Simulation, Méthodes de".
Біля кожної праці в переліку літератури доступна кнопка «Додати до бібліографії». Скористайтеся нею – і ми автоматично оформимо бібліографічне посилання на обрану працю в потрібному вам стилі цитування: APA, MLA, «Гарвард», «Чикаго», «Ванкувер» тощо.
Також ви можете завантажити повний текст наукової публікації у форматі «.pdf» та прочитати онлайн анотацію до роботи, якщо відповідні параметри наявні в метаданих.
Переглядайте дисертації для різних дисциплін та оформлюйте правильно вашу бібліографію.
Mostefaoui, Lotfi. "Eclairage global pour textures et surfaces non homogènes." Limoges, 1999. http://www.theses.fr/1999LIMO0044.
Torres, Guzman Diana Angélica. "Generation and control of tactile feedback with longitudinal ultrasonic vibration and human-in-the-Loop analysis." Thesis, Université de Lille (2018-2021), 2021. http://www.theses.fr/2021LILUN035.
Haptic technology offers users a unique way of interacting with the virtual world, as it allows direct information transfer between the interfaces and the human through the sense of touch. Surface haptic devices use different techniques to achieve friction modulation in order to simulate texture. In the case of ultrasonic surface haptics, this is achieved with the use of piezoelectric ceramics, which, supplied by a sinusoidal alternating voltage, elicit motion on the surface of the device. This motion is transmitted and amplified by the material, at its resonance frequency.Transversal vibrational modes are commonly used in ultrasonic surface haptic technology. This work evaluates the possibility to use longitudinal vibration as a technological alternative to produce haptic return in ultrasonic devices. Valuable comparisons between transverse and longitudinal modes are performed on a dedicated device, both on the point of view of energetic behavior and stimuli perception quality. The action and perception of the human in this context are very important. Unfortunately, due to the complexity of friction phenomena, the sensory response is different from one user to another, with the same haptic stimulus. For this reason, it is interesting to explore the human in the tactile simulation loop. With this purpose in mind, an initial attempt to develop the concept of "Human-in-the-Loop" in surface haptics is given in this thesis, using the EMR formalism, (Energetic Macroscopic Representation)developed within the L2EP Control team and already commonly applied to HIL (Hardware in the Loop).This PhD thesis is organized as follows: chapter 1 presents the state of the art and the positioning. Chapter 2 presents the creation and control of a longitudinal wave surface haptic device. In Chapter 3, the interaction model at the origin of the friction modulation effect with ultrasonic longitudinal vibration is proposed and validated for the case where the exploration occurs in the same axis as the wave motion, as well as the more general case where the exploration occurs in any other direction. In Chapter 4, a series of experiments are conceived to perform a comparative analysis between longitudinal and transverse ultrasonic vibration, in terms of energetic requirements for a given texture intensity. From this study, it is possible to perceive one important problematic in the design of ultrasonic surface haptic devices: the adaptation of the haptic feedback to each user to achieve a standardized perception. Chapter 5 deals with this problematic, by introducing the concept of acoustic finger force and its correlation with the friction reduction phenomenon. Finally, Chapter 6 presents the lessons learned in the previous chapters in a ‘Human-in-the-loop’ perspective and explores the possible future applications of this type of analysis.This work has been carried out within the framework of the Mint Project at IRCICA. It takes, therefore, part in the collaborative ‘CRIStAL-L2EP-MINT’ team, and CNRS GdR TACT group
Decourselle, Thomas. "Etude et modélisation du comportement des gouttelettes de produits phytosanitaires sur les feuilles de vignes par imagerie ultra-rapide et analyse de texture." Phd thesis, Université de Bourgogne, 2013. http://tel.archives-ouvertes.fr/tel-00949360.
Fricout, Gabriel Yrieix. "Propriétés morphologiques et optiques des surfaces rugueuses." Paris, ENMP, 2004. https://pastel.archives-ouvertes.fr/pastel-00001102.
In this PhD, we have focused our interest on studying general aspect of rough surfaces and particularly steel surfaces, that can be coated and designed for any kind of applications. In the following, the words surface aspect have to be understood as general texture characteristics without taking into account local defects. The control of such an aspect during production process is performed by regular sampling of the product and visual comparison with a reference data set. This method does not only forbid a continuous quality control of surface aspect, but also introduces a very subjective part in surfaces appearance evaluation. Firstly, we develop a set of morphological features (based on surface segmentation, tortuosity map, granulometry. . . ) as well as statistical features (covariance curve, slopes histogram. . . ), that leads us to surface characterization. The question of features stability is then considered by means of features variance when a large surface is characterized several times using independent observation windows. Some geostatistical tools enable us to address this problem in some particular cases and bootstrap over-sampling is also introduced with special care to statistical dependence between variables. A statistical method based on different steps of factorial analysis is then introduced in order to chose a representation space that is well suited for bayesian classification. This very generic methodology for analyzing surface texture is then applied to a real problem. We study the automatic classification of surfaces with "orangepeel" aspect according to the quality of their appearance. Once successful experiments were performed in laboratory using interferometric microscopy, we design a vision system based on a collimated source and a matricial camera, so that an automatic and systematic quality control of surface aspect can be set up on production line. In order to improve our classifier performance, the possibility of using flooding trees for texture characterization is considered and we develop an algorithm to divide a flooding tree into subtrees so that bootstrap techniques become usable with such a particular data structure. Finally, the optical behavior of surfaces is modeled by the way of ray casting in order to simulate the image obtained by a camera under specific lighting conditions. Reciprocally, we propose an algorithm to compute a surface topography if only a single camera image is known. All these points join a recent dynamic coming from steel industry in general and Arcelor group in particular, that should lead to a better understanding of esthetic for surfaces, the final aim being the prediction and anticipation of consumer’s desires in this particular field. Considering this, our tools open perspectives for defining the "ideal surface" for a given application
Ben, Messaoud Wael. "Design and control of a tactile stimulator for real texture simulation : application to textile fabrics." Thesis, Lille 1, 2016. http://www.theses.fr/2016LIL10040/document.
The friction modulation produced by ultrasonic vibrations is one of the methods which produce the tactile stimulation. The vibration amplitude is modulated depending on the finger position to give the illusion of touching a texture. This thesis aims at developing a tactile device able to simulate the sensation of touching complex textures such as textile fabrics. For this aim, we modelled first the vibration behaviour and proposed a new strategy to track the resonance frequency of the tactile device and to improve the robustness of the control. On the other hand, the relationship between the tribological aspects of interaction finger / stimulator and the perception of stimuli is assessed to define the most perceived tribological criteria. The tribological parameter named “friction contrast” is introduced. Following this tribological study, we developed a new tactile device called SmartTac integrating new force sensors to measure and control directly the coefficient of friction and to make it adaptive to the user’s finger. Last, a method for extracting the tribological properties of three various textile fabrics is applied to simulate them. Our method is validated by conducting a psychophysical experiment with a success rate of 78%, matching the simulated surfaces to real surfaces
Julian, Pauline. "Méthodes variationnelles pour la segmentation avec application à la réalité augmentée." Phd thesis, Toulouse, INPT, 2012. http://oatao.univ-toulouse.fr/17822/7/Julian_P.pdf.
Roux, Jean-Christophe. "Méthodes d'approximation et de géométrie algorithmique pour la reconstruction de courbes et surfaces." Phd thesis, Grenoble 1, 1994. http://tel.archives-ouvertes.fr/tel-00344528.
Grosjean, Bénédicte. "Détectabilité des lésions en mammographie numérique : impact de la texture." Châtenay-Malabry, Ecole centrale de Paris, 2007. http://www.theses.fr/2007ECAP1057.
The presence of normal breast structure (texture) in digital mammography images decreases the detection pertormance of radiologists. We propose new tools and methods to study the impact of the presence of breast texture on the detectability of les ions in such images. We develop an image simulation tool which enables to synthesize mammography images with realistic texture appearance. We evaluate the impact of the texture on the scoring of a contrast-detail phantom commonly used in mammography. We show that this flat-field phantom is clinically relevant to assess the detectability of microcalcifications, but not of larger lesions such as masses. We propose a new mathematical observer, based on the recenUy introduced a-contrario framework. With a detection strategy close to th one of radiologists when looking for les ions in real clinical situations, this observer is a relevant alternative to model human visual perception. Extending the a-contrario framework to the case of textured backgrounds, we demonstrate the ability of the a-contrario observer to predict detectability laws in various textures and iparticular in mammography textures. We apply these new tools to the optimization of the acquisition parameters in digital mammography in presence of texture. We show that the current digital mammography systems have reached an optimal usage. Furthermore, we demonstrate that the variability on detection pertormance induced by breast texture can not be overcome by optimizing the acquisition techniques, highlighting the benefit of any breast imaging technology reducing the influence of breast texture
Costa, Maria. "Segmentation de structures anatomiques du bas abdomen à l'aide de surfaces déformables 3D." Paris, ENMP, 2008. http://pastel.archives-ouvertes.fr/pastel-00003832.
The main objective of this thesis is to provide radio--oncology specialists with automatic tools for delineating organs at risk of a patient undergoing a radiotherapy treatment of prostate tumors. In order to achieve this goal, we work with CT Scan images. The images are first put in a common frame of reference by means of locally--affine registration based on the pelvic bone structures. A progressive approach consisting of three stages is then applied: the bladder is first delineated, the prostate is later included, and the rectum segmentation is finally integrated. Given the highly heterogenous nature of the images in our database, our contribution for the segmentation process is centered on emph{flexibility}. The bladder is a highly variable structure, both in terms of shape (fillings, compression by surrounding organs) and of intensity levels, the latter due to inhomogeneities caused by the presence or absence (to various levels) of a contrast agent. We propose a segmentation approach that is able to automatically adapt both to the shape and, most remarkably, to the intensity variability. The prostate shows no distinct "edge" in the image itself; its interface with the bladder is often very difficult (if not impossible) to discern, even for the trained eye of medical experts. We have incorporated anatomical information and taken the intensity similarities into account in our approach to contour this structure. An original non--overlapping constraint optimizes the result in terms of image and shape prior information, in order to avoid ambiguities in the delineation of the common boundaries. Finally, the rectum is incorporated in the segmentation. Different acquisition protocols for the CT scans result in images containing rectums with very different characteristics in terms of shape and intensity (due to filling level and nature, air insufflation, contrast agent, etc. ). A flexible method that makes no assumptions about the interior of the structure has been developped and thoroughly tested. The developments that resulted from this thesis have been incorporated to the Isogray software by DOSIsoft, allowing further validation in clinical conditions
Héliodore, Frédéric. "Simulation bidimensionnelle du transistor à effet de champ AsGa à grille submicronique : application à l'optimisation des composants faible bruit." Lille 1, 1987. http://www.theses.fr/1987LIL10203.
Labiadh, Mohamed Taieb. "Quantification de l'érosion éolienne sur des surfaces anthropisées : simulations des flux en masse à l'échelle des zones arides Tunisiennes." Paris 7, 2011. http://www.theses.fr/2011PA077072.
Delestre, Olivier. "Simulation du ruissellement d'eau de pluie sur des surfaces agricoles." Phd thesis, Université d'Orléans, 2010. http://tel.archives-ouvertes.fr/tel-00587197.
Foadian, Farzad. "Precision tube production : influencing the eccentricity, residual stresses and texture developments : experiments and multiscale simulation." Thesis, Strasbourg, 2018. http://www.theses.fr/2018STRAE003/document.
The main and foremost aim of this work was to optimize the standard tube drawing process in a way that the eccentricity can be controlled, which can be the reduction or increase of eccentricity. For this reason, tilting and/or shifting was introduced to the die and/or tube, respectively. Different tubes of varied materials, such as copper, aluminum, brass, and steel with different dimensions were investigated by various tilting angles, shifting values, or combination of tilting and shifting and their effect on the eccentricity was analyzed. Along influencing and controlling the eccentricity, the evolution of the residual stresses and texture due to the introduced tilting and /or shifting were investigated. The other aim of this work was to develop a universal FEM model, which can get the required or desired input parameters, which can be material-related or process related or both, and perform the simulation of the user-defined metal forming process and therewith analyze more complex situations. In this regard, a simulation model was developed using a multiscale simulation method with Integrated Computational Material Engineering approach
Caby, Béranger. "Développement de l’analyse combinée par Réflectométrie de rayons X (XRR) et Fluorescence des rayons X en Incidence Rasante (GIXRF) pour des applications micro et nano-électroniques." Caen, 2015. http://www.theses.fr/2015CAEN2055.
Due to recent developments in microelectronics, new in-depth characterization techniques are needed. Combined Grazing Incidence X-ray Fluorescence (GIXRF) and X-ray Reflectivity (XRR) analysis is as a promising alternative technique. Indeed, this technique allows obtaining, in a non-destructive way, the depth-profile composition and density of multilayered samples. In the literature, only few works using the potentiality of the XRR-GIXRF technique have been reported. Therefore, in order to accelerate the development of its application in materials characterization, a collaborative international group has been set up between laboratories to share expertise, equipment and analysis software. The objective was to apprehend the methodologies for the XRR-GIXRF acquisition, measurements analysis as well as the physical principles along with the possible limitations of the technique. In this work, after a presentation of the analysis protocols and software, the solutions implemented in different software in order to handle instrumental effects and quantification problems, are discussed. Subsequently, applications of the combined XRR-GIXRF technique on samples of interest are presented. In particular, through the investigation of Ultra-Shallow junctions and various multilayers, the qualitative and quantitative depth-profiling capabilities are demonstrated and compared to classical characterization techniques. Finally, limitations of the technique and possible outlooks are discussed
Rochdi, Majid. "Signature électromagnétique bistatique d'une cible complexe placée sur une surface maritime rugueuse : modélisation, simulation et expérimentation." Brest, 2011. http://www.theses.fr/2011BRES2048.
The purpose of this thesis is to study the electromagnetic scattering phenomena involved on rough sea surface in the presence of a complex object. To solve this problem, we have studied and applied a model based on asymptotic methods. The basic idea is to combine a ray tracing-based algorithm with the physical optics, geometrical optic and the method of equivalents edge currents. The comprehensive geometrical model of the complex object and sea surface is designed by CAD (CATIA) tools and the sea power spectrum. The sea surface is generated by using the Elfouhaily directional wave spectrum. Both the target and the sea surface are meshed with triangular patches in order to compute the scattered field. The results obtained were compared with those published in the literature and with measurements carried out in an anechoic chamber
Gołębiowska, Monika R. "Mechanism of self-assembly and adsorption of molecules on surfaces : multiscale computer modeling." Thesis, Montpellier 2, 2011. http://www.theses.fr/2011MON20012/document.
The present work is devoted to computer simulations of phenomena occurring at solid-fluid interfaces. Three processes have been studied in details: auto organization of molecular films at a solid substrate, adsorption of molecular gas in confined geometry and crystal formation at organic-inorganic interface. Two classical simulation methods have been used: stochastic Monte Carlo and deterministic Molecular Dynamics.The study of self-organisation and phase transitions in molecular nitrogen multilayers adsorbed on the basal plane of graphite is presented in chapter III. It focusses on the systems' spatial heterogeneity and its influence on temperatures of order-disorder and melting transitions. This study completes the numerical analysis of molecular nitrogen phase diagram, well described and understood for 3d (bulk) and 2D (monolayer film) systems.The analysis of kinetics of fluid confined in nanopores is presented in chapter IV. The working case consists of methane-methyl mercaptan mixtures confined in slit-shaped carbon nanopores. Simulations focused on both: storage capacity of carbon pores of finite size and nanometric width, and dynamics of gas mixture components under confinement. An evaluation of odorant content necessary for easy gas leak detection is presented.Chapter V gathers the results of calculations performed to set up the simulations of biomineralization at the organic-inorganic interface. The secondary structures of two amelogenins (human leucine-rich peptide, hLRAP, and full length amelogenin, rM179) have been predicted. The most probable structures have been further refined and the chain folding optimized in aqueous environment
Boilevin-Kayl, Ludovic. "Modeling and numerical simulation of implantable cardiovascular devices." Thesis, Sorbonne université, 2019. http://www.theses.fr/2019SORUS039.
This thesis, taking place in the context of the Mivana project, is devoted to the modeling and to the numerical simulation of implantable cardiovascular devices. This project is led by the start-up companies Kephalios and Epygon, conceptors of minimally invasive surgical solutions for the treatment of mitral regurgitation. The design and the simulation of such devices call for efficient and accurate numerical methods able to correctly compute cardiac hemodynamics. This is the main purpose of this thesis. In the first part, we describe the cardiovascular system and the cardiac valves before presenting some standard material for the mathematical modeling of cardiac hemodynamics. Based on the degree of complexity adopted for the modeling of the valve leaflets, two approaches are identified: the resistive immersed surfaces model and the complete fluidstructure interaction model. In the second part, we investigate the first approach which consists in combining a reduced modeling of the valves dynamics with a kinematic uncoupling of cardiac hemodynamics and electromechanics. We enhance it with external physiological data for the correct simulation of isovolumetric phases, cornerstones of the heartbeat, resulting in a relatively accurate model which avoids the complexity of fully coupled problems. Then, a series of numerical tests on 3D physiological geometries, involving mitral regurgitation and several configurations of immersed valves, illustrates the performance of the proposed model. In the third and final part, complete fluid-structure interaction models are considered. This type of modeling is necessary when investigating more complex problems where the previous approach is no longer satisfactory, such as mitral valve prolapse or the closing of a mechanical valve. From the numerical point of view, the development of accurate and efficient methods is mandatory to be able to compute such physiological cases. We then consider a complete numerical study in which several unfitted meshes methods are compared. Next, we present a new explicit coupling scheme in the context of the fictitious domain method for which the unconditional stability in the energy norm is proved. Several 2D numerical examples are provided to illustrate the properties and the performance of this scheme. Last, this method is finally used for 2D and 3D numerical simulation of implantable cardiovascular devices in a complete fluid-structure interaction framework
Sirugue, Léa. "Conception et développement d’une méthode de comparaison de surfaces appliquée aux protéines." Thesis, Paris, HESAM, 2020. http://www.theses.fr/2020HESAC042.
Protein interactions play a crucial role in the living processes such as cell communication, immunity, cell growth, proliferation and death. These interactions occur through the surface of proteins and the disruption of their interactions is the start of many disease processes. It is therefore necessary to understand and characterize the surface of proteins and their interactions to better understand living processes. Different methods of protein surfaces comparison have been developed in the recent years but none are powerful enough to handle all the structures currently available in databases. The PhD project is to develop rapid methods of surface comparison and apply them to the surface of macromolecules
Adjemout, Mohand. "Étude théorique et expérimentale de la lubrification entre surfaces texturées. Application aux garnitures mécaniques." Thesis, Poitiers, 2015. http://www.theses.fr/2015POIT2259/document.
The main objective of this thesis is to lead, through a theoretical and experimental study, to a better understanding of the various effects induced by surface texturing in lubricated contacts. The ultimate goal is to provide a texture pattern that reduces friction and leakage of a mechanical seal. The literature review identified different theoretical and experimental works performed on lubrication in the presence of textures, physical phenomena interacting with textures and the different methods used for their manufacturing. A theoretical study using a conservative model based on Reynolds equation is then presented. In the first part of this study, the friction surfaces are assumed perfectly parallel and thermoelastic effects are neglected. ln the second part, heat transfer to the rings and thermoelastic deformations are taken into account. A parametric study then allows bettering our understanding of the influence of geometrical parameters of textures, defects and thermoelastic deformations of the faces on the performance of a mechanical seal. In addition, this study has identified a texture capable of significantly improving the performance of a mechanical seal. Experimental tests were then carried out with bath textured and untextured mechanical seals. Friction torque measurements and temperature measurements achieved by means of infrared thermography have shown that the use of textures allows to significantly reduce heat and friction torque compared with a seal with smooth surfaces. Finally, a comparison theory/experiment validated the developed model that predicts correctly the behavior of the textured mechanical seal
Kuehnert, Julian. "Simulation of High Frequency Seismic Waves generated by Rockfalls on Real Topography." Thesis, Université de Paris (2019-....), 2019. https://theses.md.univ-paris-diderot.fr/KUEHNERT_Julian_va2.pdf.
Rockfall hazard has to be evaluated and monitored in order to prevent loss of life and infrastructure. In this regard it is important to create event catalogs and understand rockfall dynamics. Seismic waves can help for this purpose as they carry valuable information of the event. They are generated when rockfalls impact the ground and can be used to detect, classify and locate events. Beyond that, rockfall properties such as their volume and their dynamic behavior can be inferred. Yet, high frequency seismic signals (>1Hz) are poorly understood. This is because they are associated to complex seismic sources which are spatially distributed and can rapidly vary over time. On top of this, high frequency seismic waves are prone to be scattered and diffracted due to interactions with soil heterogeneities or surface topography. This thesis takes an important step forward to enhance understanding of high frequency rockfall seismic signals by simulating seismic wave propagation on domains with realistic velocity profiles and 3D surface topographies using the Spectral Element Method (SEM). The influence of the topography on the seismic wave field is investigated. It is found that topography induced amplification is substantially different between deep sources and sources located at the surface. This is because surface waves generated by shallow sources are exposed to constant scattering and diffraction when traveling along the surface. The energy decay along the surface is investigated for different velocity models and equations are derived to back-calculate the total seismic energy radiated by the source. This is of interest as the rockfall seismic energy is related to the rockfall volume. In order to account for topography effects, a correction factor is proposed which can be introduced in the energy calculation. Observed seismic signals generated by rockfall at Dolomieu crater on Piton de la Fournaise volcano, La Réunion, are analyzed. Synthetic seismograms are used to identify and interpret observed signals generated by single impacts. The influence of topography on the waveforms is demonstrated and the sensitivity on source location as well as source direction is evaluated. Signal characteristics such as amplitudes and frequency content are explained based on Hertz contact theory. Additionally, inter-station spectral ratios computed from rockfall seismic signals are shown to be characteristic of the source position. Comparison with simulated spectral ratios suggest that they are dominated by the propagation along the topography rather than the mechanism of the source. Based on these findings, a method is proposed for the localization of rockfalls using simulated inter-station energy ratios. The method is applied to localize rockfalls at Dolomieu crater. The implementation of the method involves a sliding time window which allows a straightforward application on continuous seismic signals. The potential of the method to monitor rockfall activity in real-time is emphasized
Guillot, Ivan. "Oxydation et phénomènes de frottement à chaud sur les aciers inoxydables ferritiques : influence des éléments mineurs (Ti, Nb, Mo)." Compiègne, 1990. http://www.theses.fr/1990COMPD245.
Petuya-Poublan, Rémi. "Contribution à la description théorique de la dynamique des processus élémentaires hétérogènes : collisions de l'azote moléculaire et de l'hydrogène atomique avec des surfaces de tungstène." Thesis, Bordeaux, 2014. http://www.theses.fr/2014BORD0134/document.
Heterogeneous elementary processes at the gas-solid interface are ofgreat interest in many domains such as heterogeneous catalysis, atmospheric and interstellar media chemistry, spacecraft atmospheric re-entry and plasma-wall interactions description. This thesis focus on the dynamics of nitrogen, N2, non reactive scattering on a tungsten W(100) surface and hydrogen, H2, recombination processes on tungsten surfaces W(100) and W(110). The quasiclassical dynamics of these processes is simulated using potential energy surfaces based on density functional theory calculations. In particular, a multi-adsorbate potential is developed to include surface coverage in the dynamics simulation in order to scrutinize the interplay between both direct abstraction, the so-called Eley-Rideal recombination,and the Hot-Atom recombination process after hyperthermal diffusion on the surface
Rahmoun, Jamila. "Modélisation du comportement des matériaux granulaires par des approches discrètes et continues." Phd thesis, Université des Sciences et Technologie de Lille - Lille I, 2006. http://tel.archives-ouvertes.fr/tel-00348876.
Panadés-Barrueta, Ramón Lorenzo. "Full quantum simulations of the interaction between atmospheric molecules and model soot particles." Thesis, Lille 1, 2020. http://www.theses.fr/2020LIL1R022.
We aim at simulating full quantum mechanically (nuclei and electrons) the processes of adsorption and photoreactivity of NO2 adsorbed on soot particles (modeled as large Polycyclic Aromatic Hydrocarbons, PAHs) in atmospheric conditions. A detailed description of these processes is necessary to understand the differential day-nighttime behavior of the production of HONO, which is a precursor of the hydroxyl radical (OH). In particular, the specific mechanism of the soot-mediated interconversion between NO2 and HONO is to date not fully understood. Due to its particular relevance in this context, we have chosen the Pyrene-NO2 system. The first stage in this study has consisted in the determination of the stable configurations (transition states and minima) of the Pyrene-NO2 system. To this end, we have used the recently developed van der Waals Transition State Search using Chemical Dynamics Simulations (vdW-TSSCDS) method, the generalization of the TSSCDS algorithm developed in our group. In this way, the present work represents the first application of vdW-TSSCDS to a large system (81D). Starting from a set of judiciously chosen input geometries, the aforementioned method permits the characterization of the topography of an intermolecular Potential Energy Surface (PES), or in other words the determination of the most stable conformations of the system, in a fully automated and efficient manner. The gathered topographical information has been used to obtain a global description (fit) of the interaction potential, necessary for the dynamical elucidation of the intermolecular interaction (physisorption), spectroscopic properties and reactivity of the adsorbed species. To achieve this last goal, we have developed two different methodologies together with the corresponding software packages. The first one of them is the SpecificReaction Parameter Multigrid POTFIT (SRP-MGPF) algorithm, which is implemented in the SRPTucker package. This method computes chemically accurate (intermolecular) PESs through reparametrization of semiempirical methods, which are subsequently tensor decomposed into Tucker form using MGPF. This software has been successfully interfaced with the Heidelberg version of the Multi-configuration Time-DependentHartree (MCTDH) package. The second method allows for obtaining the PES directly in the mathematical form required by MCTDH, thence its name Sum-Of-Products Finite-Basis-Representation (SOP-FBR). SOP-FBR constitutes an alternative approach to NN-fitting methods. The idea behind it is simple: from the basis of a low-rank Tucker expansion on the grid, we replace the grid-based basis functions by an expansion in terms of a orthogonal polynomials. As in the previous method, an smooth integration with MCTDH has been ensured. Both methods have been successfully benchmarked with a number of reference problems, namely: the Hénon-Heiles Hamiltonian, a global H2O PES, and the HONO isomerization PES (6D)
Lebon, Jérémy. "Towards multifidelity uncertainty quantification for multiobjective structural design." Phd thesis, Université de Technologie de Compiègne, 2013. http://tel.archives-ouvertes.fr/tel-01002392.
Cochain, Jérémy. "Numerical and experimental study of misaligned and wavy mechanical face seals operating under pressure pulses and pressure inversions." Thesis, Poitiers, 2018. http://www.theses.fr/2018POIT2271/document.
Face seals are mechanical devices used to seal rotating shafts in numerous applications. While they can operate efficiently under steady conditions for years, they tend to fail prematurely when operating in severe, or rapidly varying conditions. The focus of this research work is the development and use of an experimental and a numerical method to investigate the impact of pressure pulses, pressure inversions and induced dynamic loading on the performance of mechanical face seals exhibiting face misalignment and waviness.The fluid solver of a state-of-the art face seal numerical model was extended to transient conditions and a module solving the dynamics for the axial and angular degrees of freedom of the flexibly-mounted stator added. A system-level experimental setup generating pressure pulses was instrumented and methods to characterise face seal performance in terms of oil volume loss and ingression of water outer-fluid selected and implemented.Face seals, with flat and misaligned faces, operating under pressure pulses and pressure inversions were experimentally tested and simulated. They show only slight increase of water in the oil, no increase over time, and no measurable oil leakage. The low water ingression is due to low film thickness combined with the short duration of pressure inversions. An exploratory face seal of high waviness was also experimentally tested. Contrary to the other parameters, the waviness appears to significantly increase the leakage and promote water ingression and could thus be at the origin of some seal failures
Malinenko, Alla. "Effet d’ion specifique sur l’auto-assemblage d’amphiphiles cationiques : des approches experimentale et informatique." Thesis, Bordeaux, 2015. http://www.theses.fr/2015BORD0065/document.
The present study is a holistic approach focused on the investigation of ion specific effects on the self-assembly properties of cationic gemini surfactants. Our main focus was on the effect of various counterions on the self-organization features of cationic surfactants in aqueous solution. In order to obtain amore comprehensive understanding of the effect of interfacial ionic and molecular interactions on aggregate properties we used different approaches. We combined an experimental study focused on the bulk solution properties (critical micelle concentration, ionization degree, aggregation number, etc.), with approaches focused on investigating the interfacial micellar properties by analyzing the interfacial counterion and waterconcentrations, experimentally (chemical trapping) and computationally (molecular dynamic simulations). Moreover, the impact of counterion nature was investigated by studying the growth of wormlike micelles using rheology. Besides the examination of the surfactants properties in solution, the ion specific effects onthe crystalline structures of gemini surfactants were studied.We found that ion specific effects which determine the behavior of micellar aggregates of cationic quaternary ammonium gemini in aqueous solutions strongly depend on the free energy of hydration of the counterions, in others words, on their hydrophilic/hydrophobic properties. Contrarily to aqueous solution, in crystals, the size of the ion becomes the determining factor. Comparison of the results obtained for the same system in aqueous solution and in solid state showed the importance of ion-water interactions in ion specific effects. However, one should note that the properties of substrate (the gemini in our case) should be taken into account not less carefully in order to fully predict Hofmeister effects