Denna rapport behandlar genomförandet av ett examensarbete på högskolenivå inom maskinteknik vid Högskolan i Borås. Examensarbetet har utförts hos SP Sveriges Tekniska Forskningsinstitut AB, enheterna SP Safety – Mechanical Research i Borås och Göteborg samt Food and Bioscience i Göteborg. Den största delen av arbetet har utförts vid sektionen Mechanical Research Göteborg. Målet med examensarbetet var att kombinera analys av experimentell bilddata från konfokalmikroskopi och mekanisk lastdata från en dragcell som gradvis deformerar ett polyuretanskum med modellering av skummets mekaniska egenskaper med hjälp av finita elementmetoder (FEM). Syftet var att bestämma elasticitetsmodul och Poissons tal. En viktig del av projektet var också att säkerställa hög repeterbarhet och möjliggöra vidareutveckling av metodiken genom att skapa rutiner för hur de olika delmomenten i arbetscykeln bäst utförs. Polyuretanskum, liksom många andra mjuka heterogena biomaterial saknar i dagsläget uppmätta eller beräknade mekaniska egenskaper. Därför finns potential för att den framtagna metodiken kommer till användning för att bestämma materialparametrar och analysera beteenden för fler av dessa material. Genom att bestämma materialparametrarna är det sedan möjligt att¬ utföra hållfasthetsberäkningar på sådana material, och korrelera materialparametrarna till processparametrarna vid tillverkningen för att optimera materialets egenskaper. Studien började med att ett prov av polyuretanskum placerades i en dragcell där det utsattes för en kraft så att det gradvis deformerades. Med hjälp av ett konfokalmikroskop kan hela deformationsprocessen följas i hög upplösning. De framtagna bildserierna analyserades sedan med hjälp av DaVis, en mjukvara som genomför så kallad digital image correlation-analys, med vars hjälp lokala förskjutningar kunde bestämmas. För att kunna utföra FEM-beräkningar delades materialstrukturen in i elementnät med hjälp av den fritt tillgängliga programvaran OOF2. Elementnät och förskjutningsdata importerades sedan till Matlab och insticksmodulen CalFEM. Med hjälp av CalFEM konstruerades en materialmodell med elasticitetsmodul och Poissons tal som inparametrar. Valideringskriterium användes för att säkerställa korrektheten i finita elementanalyserna. Elasticitetsmodulen bestämdes till 4.6 MPa och Poissons tal till 0.33 ± 0.06. Med tillgängliga data kunde inte modellen användas för att uppskatta båda parametrarna samtidigt. Poissons tal bestämdes genom manuell analys av bildserierna. Metodiken kan förbättras och vidareutvecklas genom att analysera fler provbitar för att ta hänsyn till lokala fluktuationer i materialstrukturen, samt avbilda provet i tredimensioner. Tredimensionell avbildning skulle också möjliggöra konstruktion av en tredimensionell beräkningsmodell av materialet. / This bachelor thesis deals with the implementation of a degree in mechanical engineering at the University of Borås. The thesis work has been conducted at SP Technical Research Institute of Sweden AB at the departments SP Safety – Mechanical Research in Borås and Gothenburg and Food and Bioscience in Gothenburg. The major part of the work has been done at the Mechanical Research department in Gothenburg. The aim of the thesis work was to combine analysis of experimental image data from confocal laser scanning microscopy and mechanical load data from a tensile cell that gradually deforms a polyurethane foam with modelling of the mechanical properties of the foam using finite element methods (FEM). The purpose was to determine Young’s modulus and Poisson's ratio. A crucial part of the project was also to facilitate a high degree of repeatability and further development of the method through establishing routines and best practices for how to implement different parts of the method. There is currently a lack of measured or calculated properties for polyurethane foams, as is the case also for many other soft heterogeneous biomaterials. This implies that the developed method has potential use for determining material parameters and analyzing behavior also for other materials of this type. Determining the material parameters facilitates strength calculations on these materials and makes it possible to correlate material parameters to process parameters during manufacturing to optimize material performance. The polyurethane foam was placed in a tensile cell, exposed to a force and slowly, gradually deformed. Using a confocal microscope, the entire deformation process can be observed at high resolution. The obtained image series were then analyzed using DaVis, a software that can perform so called digital image correlation analysis where local displacements could be determined. In order to perform the finite element calculations, the material structure was divided into an element mesh using the software OOF2. The element mesh and displacement data were then imported to Matlab and the plugin module CalFEM. Using CalFEM, a material model involving Young’s modulus and Poisson’s ratio was created. Young’s modulus was determined to be 4.6 MPa and Poisson’s ratio 0.33 ± 0.06. Using the available data, the model was insufficient to determine both parameters simultaneously. Therefore, Poisson’s ratio was determined through manual analysis of the image series. The method can be improved and further developed mainly by analyzing several samples to account for local fluctuations in the material structure and by using three-dimensional imaging methods. The latter would also open up for creating a three-dimensional model of the material.

L’indentation instrumentée (nanoindentation) est une technique d’analyse des données expérimentales utilisées pour atteindre les propriétés mécaniques de matériaux (dureté H, module de Young E) pour lesquels les techniques classiques sont difficilement applicables voire non envisageables. Ces paramètres mécaniques sont issus de l’exploitation de la seule courbe expérimentale charge-décharge. L’analyse de cette dernière repose sur des nombreux modèles reportés dans la littérature (Oliver et pharr, Field et Swain, Doener et Nix, Loubet et al.) qui considèrent la décharge purement élastique. De nombreuses expériences que nous avons menées, sur divers types de matériaux massifs (aciers inoxydables AISI304, AISI316, AISI430; aciers rapides HSS652; verre de silice SiO2) et revêtus de films minces de TiN et TiO2 ont montré que les propriétés mécaniques (E et H), déduites de la méthode de Oliver et Pharr, dépendent du pourcentage de la courbe de décharge considéré, de la charge appliquée et du rayon de la pointe. De plus, pour un système film-substrat, la technique est en général utilisée pour atteindre les propriétés in-situ du film ou du substrat, alors que la méthode de dépouillement fournit des paramètres composites qu’il faut ensuite déconvoluer. Dans la recherche d’une stratégie simple, permettant d’accéder au module élastique d’un film « dur » pour les applications mécaniques, nous avons fait appel à la simulation numérique. Le code de simulation numérique utilisé, est basé sur la méthode des éléments de frontière. Nos investigations numériques utilisant l’indentation sphérique nous ont permis de mettre en évidence un certain nombre de résultats utiles pour l’analyse des données expérimentales. Nous avons commencé par montrer que aussi bien pour un matériau massif homogène élastoplastique que pour un système film dur – substrat élastoplastique, la relation [delta]=a2/R demeure valable (R étant le rayon de l’indenteur, a le rayon de l’aire projetée de contact). Cela permet de représenter les résultats de l’essai d’indentation sphérique par la courbe pression moyenne F/[pi]a2- déformation a/R . Au début du chargement, la pente cette courbe est proportionnelle au module de Young du film tandis que la pente initiale de la courbe de décharge est proportionnelle au module d’élasticité du substrat. Une relation entre le déplacement de l’indenteur et [delta] , puis une méthode d’analyse d’indentation ont été établies. Enfin, la procédure a été validée numériquement et expérimentalement sur les données issues de l’indentation de divers combinaisons film-substrat (TiN/AISI430, TiN/HSS652 et TiO2/HSS652) avec succès / Depth sensing Indentation (nanoindentation) is an experimental technique increasing retained for the assessment of the mechanical properties of materials (hardness H, Young's modulus E) for which common homogeneous mechanical tests can not be performed or are extremely difficult to perform. The mechanical parameters are obtained from the indentation curve (the plot of the load vs penetration depth during both load and unload). Usually, some methodology reported in the literature (Oliver and pharr, Field and Swain, Doener and Nix, Loubet and al.) are used in order to assess E and H. We have performed a number of experiments on homogeneous materials (stainless steel AISI304, AISI316, AISI430; high-speed steel HSS652; glass SiO2) as well as a film-substrate system (TiN/AISI430, TiN/HSS652, TiO2/HSS652). Applying the Oliver and Pharr methodology, E end H vary with the applied load as well as the percentage of used unload curve retained for the analysis, as reported in the literature. Besides, in the case of the film-substrate system, only composite parameters are obtained instead of the in-situ films properties. In order to establish a simple strategy for the determination of the elastic modulus of a hard coating, we have carried out many simulations using a boundary element based numerical tool. Then a number of useful results have been identified. The well known elastic relation [delta]=a2/R between the relative approach [delta], the projected contact radius a and the punch radius R, remain valid in the plastic range for homogeneous as well as film-substrate specimens. This allows data indentation to be represented in term of mean pressure F/[pi]a2 vs indentation strain a/R . The initial slope of the loading part of the latter curve is proportional to the elastic modulus of the film, while the slope of the initial part of the unloading curve is proportional to the substrate elastic modulus. Our indentation procedure anlysis has been validated experimentally on a number of samples (TiN/AISI430, TiN/HSS652, TiO2/HSS652) after having established a relation between the punch displacement and the relative approach [delta]

Des techniques combinées d'analyse/synthèse d'images et de simulation atomistique ont permis d’étudier la nanostructure/-texture de matériaux carbonés anisotropes et denses de type pyrocarbone (PyC) laminaire hautement texturé. Des représentations atomiques d’un PyC laminaire rugueux tel que préparé (AP) ainsi que d’un PyC laminaire régénéré AP et après plusieurs traitements thermiques (HT) ont été reconstruites pour mieux caractériser ces matériaux. Ces modèles comportent des domaines graphéniques de quelques nanomètres, joints entre eux par des lignes de défauts formées de paires de cycles à 5 et 7 carbones dans le plan et par des dislocations vis et des atomes tétravalents entre les plans. Les modèles les plus ordonnés ont des domaines plus étendus et un plus faible taux de connexions inter-plan. Les propriétés mécaniques et thermiques prédites à partir de ces modèles sont proches de celles du graphite et augmentent avec la cohérence intra-plan et la densité de connexions inter-plans. Des modèles de graphène polycristallins ont aussi été générés. Ils sont apparus, du point de vue structural et des propriétés mécaniques, très proches des feuillets de carbones des PyCs. Ils ont permis d'étudier la réorganisation structurale se produisant au cours du HT : formation de lignes de défauts, réparation de lacunes, … Il s'agit d'un premier pas vers l'étude de la graphitation des PyCs. La méthode de reconstruction a enfin été adaptée à l'étude de l'évolution structurale d'un graphite au cours de son irradiation par les électrons. Cela a permis d'observer à l'échelle atomique la création et la propagation des défauts au cours de l'irradiation. / Combined images analysis/synthesis techniques and atomistic simulation methods have allowed studying the nanostructure/-texture of anisotropic dense carbons of the highly textured laminar pyrocarbon (PyC) type.Atomic representations of an as-prepared (AP) rough laminar PyC as well as a regenerative laminar PyC AP and after several heat treatments (HT) were reconstructed to better characterize these materials.The models contain nanosized graphene domains connected between them by line defects formed by pairs of rings with 5 and 7 carbons inside layers and by screw dislocations and fourfold atoms between layers. The most ordered models have larger domains and a lower percentage of connections between the layers.Mechanical and thermal properties predicted from these models are close to those of graphite and increase with the coherence inside layers and the density of connections between layers.Models of polycrystalline graphene were also generated, showing structure and mechanical properties very close to those of the carbon layers extracted from PyCs. The structural reorganization occurring during the HT of such materials was studied: thinning of line defects and vacancy healing were observed. This represents a first step towards the study of the graphitization of PyCs.The reconstruction method was eventually adapted to study the structural evolution of a nuclear-grade graphite during its irradiation by electrons, allowing us to observe how defects are created and propagate during irradiation.

Abstract Carbon nanotubes (CNTs) have extraordinary mechanical and electrical properties. Together with their small dimensions and low density, they are attractive candidates for building blocks in future nanoelectromechanical systems and for many other applications. The extraordinary properties are however only attained by perfectly crystalline CNTs and quickly deteriorate when defects are introduced to the structure. The growth technique affects the crystallinity where in general CNTs grown by arc-discharge are close to perfectly crystalline, while CVD-grown CNTs have large defect densities. Mechanical deformation also affects these properties, even without introducing defects. When CNTs are bent they behave similarly to drinking straws, i.e. they buckle or ripple and their bending stiffness drops abruptly. In this thesis, the mechanical behaviour of individual CNTs and vertically aligned carbon nanofibers (VACNFs) has been studied by performing force measurements inside electron microscopes. Cantilevered CNTs, and VACNFs, were bent using a force sensor, yielding force-deflection curves while their structure was imaged simultaneously. We have found that CNTs grown by arc-discharge have a high enough crystallinity to possess a Young’s modulus close to the ideal value of 1 TPa. CVD-grown CNTs possess a Young’s modulus that is about one order of magnitude smaller, due to their large defect density. The VACNFs are yet another order of magnitude softer as a result of their cup-stacked internal structure.  We also found that a high defect density will increase the critical strain for the rippling onset and the relative post-rippling stiffness. Multi-walled CNTs with a small inner diameter are less prone to ripple and have a larger relative post-rippling stiffness. Our findings show large variations in the onset of rippling and the bending stiffness before and after rippling. These variations open up possibilities of tailoring the mechanical properties for specific applications. / Baksidetext Carbon nanotubes (CNTs) have extraordinary mechanical and electrical properties. Together with their small dimensions and low density, they are attractive candidates for building blocks in nanoelectromechanical systems (NEMS), and many other applications.  In this thesis the mechanical behaviour of individual CNTs and vertically aligned carbon nanofibers has been studied by performing force measurements inside electron microscopes. We have found that the mechanical behaviour is very sensitive to the defect density and the internal structure of the CNTs. The extraordinary properties are only attained by defect free CNTs and quickly deteriorate if defects are introduced to the structure. Mechanical deformations also alter these properties. Single-walled CNTs behave similarly to drinking straws when bent, i.e. they buckle, while the inner tubes of multi-walled CNTs prevent buckling. Instead a more distributed rippling pattern is created for multi-walled CNTs. Both these deformation behaviours will cause an abrupt drop in the bending stiffness, which is detrimental for many applications. The findings in this work will have implications for the design of future NEMS. / <p>Artikel 2 Image formation mechanisms tidigare som manuskript, nu publicerad: urn:nbn:se:kau:diva-16425 (MÅ 150924)</p>

Lorsque deux solides séparés par un liquide se rapprochent, le drainage s’accompagne de forces visqueuses normales aux parois. Si elles sont très rapprochées, de l’ordre de quelques nanomètres, les parois sont indentées par ces forces : c’est le "confinement élastique". Indenter un solide par un liquide permet de supprimer l’adhésion, qui limite la résolution en termes de module d’Young des tests classiques d’indentation par un solide, surtout pour les films supportés minces et mous, par exemple des élastomères d’épaisseur micrométrique. Or leurs propriétés, qui peuvent sensiblement différer des propriétés en volume, sont essentielles dans des domaines aussi variés que la microfluidique, l’électronique ou l’usure mécanique. Nous présentons les calculs qui relient les forces normales aux propriétés mécaniques du liquide et des parois lors d’un confinement élastique. Les résultats sont comparés à des expériences de nanorhéologie réalisées sur une machine à forces de surface très sensible. Cette sensibilité nous permet de montrer que l’effet du confinement élastique se manifeste même sans film mou déposé : cela implique que la rhéologie apparente d’un liquide confiné est toujours affectée par les déformations des parois, même très rigides.Nous montrons enfin que nous pouvons effectivement mesurer avec précision des modules d’Young autour du MPa dans des films d’élastomères de quelques centaines de nanomètres à quelques micromètres d’épaisseur. Si le module de stockage ne varie presque pas avec l’épaisseur, un module de pertes apparaît, augmentant sensiblement lorsque l’épaisseur diminue, témoignant d’une visco-élasticité que nous attribuons à la présence d’une couche interfaciale. / When two solids separated by a liquid layer are moving towards each other, the resulting drainage is associated with viscous forces normal to the walls. If these are very close to each other (several nanometers), they are indented by these forces : this is the notion of “elastic confinement”. Indenting a solid by a liquid solves the problem of adhesion, which limits the ability of classical indentationtests to provide accurate measurements on Young’s modulii. Adhesion is especially problematic for soft thin films, for example micrometric layers of elastomers, which mechanical properties can strongly differ from the bulk, but are of the highest importance in various fields such as microfluidics, electronics or mechanical wear. We present here the calculations which link the solid and liquid mechanical properties to the resulting forces in a liquid indentation test. The corresponding results are compared to nanorheology experiments using a very sensitive Surface Force Apparatus. Its sensitivity enables us to show that the elastic confinement is also measurable without any soft films, which implies that a confined liquid apparent rheology is always affected bythe deformations of even very rigid confining walls. Finally, we demonstrate that we are indeed able to measure precisely Young’s modulii in the MPa range for films as thin as several hundreds of nanometers. While the storage modulii are found to be almost independent ofthe film thicknesses, we identify the presence of loss modulii increasing with decreasing thicknesses. We attribute this unexpected viscoelastic behaviour to the presence of an interfacial layer.

The tradition of using naturally occurring plant fibers is still alive in Africa. In the Uíge province of northern Angola, bast fibers from Triumfetta cordifolia serve as the basis for everyday objects, such as baskets, mats, fishing nets, and traditional clothing. The fibers exhibit a Young’s modulus of 53.4 GPa and average tensile strength of 916.3 MPa, which are comparable to those of commercial kenaf fibers. These values indicate a high potential for use as a reinforcement in biocomposites. Based on this promising mechanical and physical profile of individual fibers, different biocomposites were produced with polylactide (PLA) as a matrix. The obtained composites were analyzed mechanically, physically, and visually. Unidirectionally arranged PLA/33% T. cordifolia composites with continuous fibers showed the highest Young’s modulus (10.79 GPa ± 1.52 GPa) and tensile strength (79.37 MPa ± 14.01 MPa). These composites were comparable to those of PLA/30% hemp composites (10.9 GPa and 82.9 MPa, respectively) and therefore have economic potential.

The thesis is focused on the use of R-material into cold asphalt mixtures. It deals with cold recycling and with input materials for this technology. It verifies properties of R-material and residues of bituminous binder. It also verifies properties of designed cold asphalt mixtures by the probative controls (indirect tensile strenght and water resistance). Furthermore is focused on the experimental measurement of selected mixtures to ensure more characteristics. The amount of homogenity of R-material, quantity and quality of residues bituminous binder is essential for positive results.

This thesis was made in cooperation with Roxtec. Roxtec specialises in cable sealingsolutions and are world leading in their area. In many of Roxtec’s products steel isused in the frame holding the sealing rubber. To lower Roxtec’s environmental foot-print plastic would be used instead in the frames if possible, more specific polyamide6.6 with 25% glass fiber reinforcement (PA66GF25). Polyamide is affected to agreater extent by temperature and humidity than steel and therefore poses a greaterrisk when considering the sealing capability in harsh conditions. The purpose of thisthesis is therefore to investigate the effects on the Young’s modulus by temperatureand relative humidity, which both correlate to moisture content in the plastic. Theintended temperature and moisture saturation interval are -40◦C to 80◦C and 0% to100% moisture saturation respectively. Tensile test samples were made through machining samples from existing productsand conditioning them to desired moisture content. With the use of tensile testingthe Young’s modulus could be determined for a number of combinations of temper-ature and moisture content. From this data an approximated polynomial surfaceof the Young’s modulus could be produced. The conditioning of the test piecescould be accelerated by submersion in heated water, decreasing conditioning timeto less than two days. The approximation of the Young’s modulus function couldbe done using polynomial approximation. The resulting polynomial for the positivetemperatures was of the third order dependant of the two variables moisture con-tent and temperature. For the negative temperatures a single variable polynomialwas approximated due to only one moisture content being tested for. To ensure thevalidity of the model each test combination consisted of three individual tensile testof which an average was calculated. The approximated function was then comparedto a data sheet value for a certain moisture content and temperature. From theresulting surface approximation of the Young’s modulus in positive temperatures itcan be deduced that PA66GF25 is more greatly affected by moisture content thantemperature. Especially at low levels of moisture content where the rise in Young’smodulus is exponential while more linear at higher moisture contents. The maximumand minimum Young’s modulus was found to be 8 GPa and 2.7 GPa respectively.The negative temperature approximation was restricted to one moisture content andtherefore resulted in a graph. The behaviour of this graph was likely a result of icein the material as similarities to a study regarding the mechanical properties of icewas found. / Detta examensarbete gjordes i sammarbete med Roxtec. Roxtec specialialiserar sig ikabeltätningslösningar och är världsledande i området. I många av Roxtecs produk-ter så används stål till att försegla gummi. För att minska Roxtecs miljöpåverkan såskulle plast användas till tätningarnas ramar om möjligt, speficikt polyamid 6.6 med25% glasfiberförstärkning (PA66GF25). Polyamid påverkas till större andel av tem-peratur och luftfuktighet än stål och utsätts därmed för en större risk med avseendepå tätnings kapabiliteten i tuffa miljöer. Syftet med detta arbete är därmed attundersöka effekterna på Elasticitetsmodul från temperatur och luftfuktighet, vilkakorrelerar mot fuktmättnadsgraden i plasten. Det avsedda temperaturintervallet är-40◦C till 80◦C och 0% till 100% fuktmättnadsgrad. Dragprovstesterna gjordes genom bearbetning av existerande produkter följt av kon-ditionering till önskad fuktmättnadsgrad. Genom genomförandet av dragprov, såkunde Youngs modul bestämmas för ett antal kombinationer av temperaturer ochfukterhalter. Från denna data så kunde en polynomyta för Youngs modul approx-imeras. Konditioneringen av dragprovsbitarna kunde accelereras genom nedsänkningi upphettat vatten, vilket minskade konditioneringstiden till mindre än två dygn. Ap-proximeringen av funktionen för Youngs modul kunde göras genom polynomapprox-imering, vilket resulterade i en tredje ordnings polynom beroende på två variablernafuktmättnadsgrad och temperatur. En annan approximation gjordes för de nega-tiva temperaturerna, då enbart temperaturberoende beteende undersöktes med enkonstant fuktmättnadsgrad. För att säkerställa validiteten av modellen så gjordestre mätningar på varje testkombination ifrån vilket ett medel kalkylerades. Den ap-proximerade funktionen jämfördes sedan med värdena från datablad för en viss fukt-mättnadsgrad och temperatur. Från den resulterande ytapproximationen av Youngsmodul för de positiva temperaturerna, så kan slutsatsen att PA66GF25 är avsevärtmycket mer påverkad av fukt än temperatur dras. Detta är tydligare för de testernamed låga fuktmättnadsgrader då ökningen av Youngs modul är exponentiell medanden är mer linjär för högre fuktmättnadsgrad. Den maximala och minimala Youngsmodul visade sig vara 8 GPa och 2.7 GPa respektive. De negativa temperaturernasapproximation var begränsad till en fuktmättnadsgrad och därmed resulterade i engraf kring 5 GPa. Beteendet hos denna graf var troligtvis ett resultat från isen imaterialet vars beteende är snarlikt en studie på isens mekaniska egenskaper visadepå.

La compréhension des mécanismes qui pilotent la transmission des contraintes aux interfaces déformables est au centre de nombreuses problématiques touchant des applications actuelles utilisant un film mince de polymère souple comme couche interfaciale. Arriver à caractériser de tels films fins est encore un défi aujourd’hui car l’analyse des mesures expérimentales destinées à extraire les contributions dues aux films est complexe et délicate et les techniques usuelles de caractérisation sont peu adaptées aux systèmes. Ce travail étudie la réponse mécanique de deux types de systèmes modèles au moyen de deux techniques de caractérisation différentes. Le premier système que nous avons élaboré et caractérisé mécaniquement par le test JKR, est constitué de films d’élastomère réticulé d’épaisseurs micrométriques (de 5 à 100µm) et déposés sur des wafers de silicium. Les mesures expérimentales ont été analysées par comparaison à un modèle semi-analytique récent proposé par E. Barthel dans le but d’extraire le module élastique de chaque film et de répondre à la question de savoir si l’épaisseur du film influe sur la valeur de ce module. Nous avons montré que ce modèle permet de rendre compte quantitativement du raidissement lié à la présence d’un solide supportant le film mais que la précision sur les mesures de modules de Young reste limitée (de l’ordre de 35 %).Le deuxième système modèle est constitué de brosses de polymères greffées (PDMS) par une extrémité à la surface de wafers de silicium et gonflées dans un bon solvant (47V20). Nous avons analysé la réponse mécanique dans plusieurs régimes de distance et de fréquence en utilisant un appareil à forces de surface (SFA) dans lequel on contrôle l’approche d’une sphère millimétrique d’un plan sur lequel sont greffées les polymères. En statique, nous avons vérifié que la réponse en compression était celle d’une brosse de type Alexander-de Gennes. En mode dynamique, quand la sphère est loin de la couche gonflée, nous avons vérifié que la réponse dissipative était celle d’un écoulement de Reynolds qui décrit normalement l’écoulement d’un fluide simple newtonien entre une sphère et un plan solide. Ceci nous a permis de montrer que l’écoulement du solvant pénètre partiellement à l’intérieur de la couche greffée sur une profondeur de l’ordre du tiers de l’épaisseur gonflée de la couche. Dans le régime ou les brosses sont comprimées, il n’y a pas d’accord entre les mesures réalisées et le modèle classique de Fredrickson et Pincus. Ceci s’explique par les expériences que nous avons réalisées sur un substrat nu (sans polymère) montrant pour la première fois la déformation des substrats solides qui sont indentés par l’écoulement de liquide et qu’il faut prendre en compte cette déformation dans les analyses de nanorhéologie. Finalement, une annexe est consacrée à la fabrication de surfaces hydrophobes silanisées optimisées en vue d’étudier le glissement d’un liquide simple et d’électrolytes à la paroi. / Understanding how stresses are transmitted to deformable interfaces is a key-point in numerous issues having everyday life applications which use a thin polymer film as an interfacial layer. Still, characterizing the mechanical properties of such elastic films remains a challenge because the usual employed techniques are destructive of the surface and because of the complexity of the associated analysis. In this work, we study the mechanical response of two types of home-made model systems using two different characterization techniques. The first system – studied with a JKR test- is composed of reticulated elastomeric films of micrometric thickness (5 to 100 µm) and stuck to a silicon wafer. We analyse the experimental data with E.Barthel’s recently published semi-analytical model in order to determine the elastic modulus of each indented film and see if the thickness of the film had any influence on its value. We show that this model is in a quantitatively good agreement with our data but that we only have a 35% accuracy on the elastic modulus values thanks to the set-up. The second system we studied consists in polymer brushes end-grafted onto the surface of silicon wafers and of nanometric thickness. To characterize the mechanical response of those brushes and the effect of both their molecular organization and ingredients on their ability to transmit stresses at the interface, we use a surface force apparatus in the dynamic mode as a soft fluid indenter. We use a millimetric sphere to create a liquid flow of the solvent in which the brushes are immerged and swollen. This flow induces hydrodynamic forces whose range we can control by varying the excitation frequency and the distance of approach. We obtain the following results : first with the static response we checked that the response of the polymer layers are well-described by the Alexander-de Gennes approximation. In the dynamical mode, when the sphere is far from the solid surface, we showed that the dissipative response was well-described by the Reynolds force. Thanks to those results, we succeeded in localizing the limit of penetration of the liquid flow inside the brushes at one third of the thickness of the swollen brush; second, when the brushes are compressed, we showed that the existing models (Fredrickson & Pincus) are insufficient to explain the dynamic responses of the brushes. This disagreement is explained by experiments we performed on the bare solid substrate, which show for the first time, the deformation of the substrate due to the liquid. Thus, the mechanical response of the underlying substrate has to be taken into account in the analysis of the nanorheological results on the brushes even though the substrate is much stiffer than the polymer layers. Finally, we present how we fabricated hydrophobic (silanized) surfaces in order to study the sliding of simple liquids at the wall with the same surface force apparatus.

In the first part of the thesis, the molecular structure and electronic properties of phospholipids at the single molecule level and also for a monolayer structure are investigated via ab initio calculations under different degrees of hydration. The focus of the study is on phosphatidylcholines, in particular dipalmitoylphosphatidylcholine (DPPC), which are the most abundant phospholipids in biological membranes. Upon hydration, the phospholipid shape into a sickle-like structure. The hydration dramatically alters the surface potential, dipole and quadrupole moments of the lipids, and probably guides the interactions of the lipids with other molecules and the communication between cells. The vibrational spectrum of DPPC and DPPC-water complexes are completely assigned and it is shown that water hydrating the lipid head groups enables efficient energy transfer across membrane leaflets on sub-picosecond time scales. Moreover, the vibrational modes and lifetimes of pure and hydrated DPPC lipids, at human body temperature, are estimated by performing ab initio molecular dynamics simulations. The vibrational modes of the water molecules close to the head group of DPPC are active in the frequency range between 0.5 - 55 THz, with a peak at 2.80 THz in the energy spectrum. The computed lifetimes for the high-frequency modes agree well with recent data measured at room temperature, where high-order phonon scattering is not negligible. The structure and auto-ionization of water at the water-phospholipid interface are investigated by ab initio molecular dynamics and ab initio Monte Carlo simulations using local density approximation and generalized gradient approximation for the exchange-correlation energy functional. Depending on the lipid head group, strongly enhanced ionization is observed, leading to dissociation of several water molecules into H+ and OH- per lipid. The results can shed light on the phenomena of the high proton conductivity along membranes that has been reported experimentally. In the second part of the thesis, Monte Carlo simulations of the lipid bilayer, on the basis of a coarse grained model, are performed to gain insight into the mechanical properties of planar lipid bilayers. By using a rescaling method, the Poisson's ratio is calculated for different phases. Additional information on the bending rigidity, determined from height fluctuations on the basis of the Helfrich Hamiltonian, allows for calculation of the Young's modulus for each phase. In addition, the free energy barrier for lipid flip-flop process in the fluid and gel phases are estimated. The main rate-limiting step to complete a flip-flop process is related to a free energy barrier that has to be crossed in order to reach the center of the bilayer. The free energy cost for performing a lipid flip-flop in the gel phase is found to be five times greater than in the fluid phase, demonstrating the rarity of such events in the gel phase. Moreover, an energy barrier is estimated for formation of transient water pores that often precedes lipid translocation events and accounts for the rate-limiting step of these pore-associated lipid translocation processes.