To see the other types of publications on this topic, follow the link: Interactions directes de surface.
Dissertations / Theses on the topic 'Interactions directes de surface'
Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles
Consult the top 50 dissertations / theses for your research on the topic 'Interactions directes de surface.'
Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.
You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.
Browse dissertations / theses on a wide variety of disciplines and organise your bibliography correctly.
1
Wu, Hung-Jen. "Direct measurements of ensemble particle and surface interactions on homogeneous and patterned substrates." Texas A&M University, 2005. http://hdl.handle.net/1969.1/3747.
Full textAbstract:
In this dissertation, we describe a novel method that we call Diffusing Colloidal
Probe Microscopy (DCPM), which integrates Total Internal Reflection Microscopy
(TIRM) and Video Microscopy (VM) methods to monitor three dimensional trajectories
in colloidal ensembles levitated above macroscopic surfaces. TIRM and VM are well
established optical microscopy techniques for measuring normal and lateral colloidal
excursions near macroscopic planar surfaces. The interactions between particle-particle
and particle-substrate in colloidal interfacial systems are interpreted by statistical
analyses from distributions of colloidal particles; dynamic properties of colloidal
assembly are also determined from particle trajectories.
Our studies show that DCPM is able to detect many particle-surface interactions
simultaneously and provides an ensemble average measurement of particle-surface
interactions on a homogeneous surface to allow direct comparison of distributed and
average properties. A benefit of ensemble averaging of many particles is the diminished
need for time averaging, which can produce orders of magnitude faster measurement
times at higher interfacial particle concentrations. The statistical analyses (Ornstein-
Zernike and three dimensional Monte Carlo analyses) are used to obtain particle-particle
interactions from lateral distribution functions and to understand the role of nonuniformities
in interfacial colloidal systems. An inconsistent finding is the observation of
an anomalous long range particle-particle attraction and recovery of the expected DLVO
particle-wall interactions for all concentrations examined. The possible influence of
charge heterogeneity and particle size polydispersity on measured distribution functions
is discussed in regard to inconsistent particle-wall and particle-particle potentials. In the final part of this research, the ability of DCPM is demonstrated to map potential energy
landscapes on patterned surfaces by monitoring interactions between diffusing colloidal
probes with Au pattern features. Absolute separation is obtained from theoretical fits to
measured potential energy profiles and direct measurement by sticking silica colloids to
Au surfaces via electrophoretic deposition. Initial results indicate that, as colloidal probe
and pattern feature dimensions become comparable, measured potential energy profiles
suffer some distortion due to the increased probability of probes interacting with
surfaces at the edges of adjacent pattern features. Measurements of lateral diffusion via
analysis of mean square displacements also indicated lateral diffusion coefficients in
excellent agreement with rigorous theoretical predictions.
2
Everett, William Neil. "Evanescent wave and video microscopy methods for directly measuring interactions between surface-immobilized biomolecules." Thesis, [College Station, Tex. : Texas A&M University, 2007. http://hdl.handle.net/1969.1/ETD-TAMU-1585.
Full text
3
Jespersen, Michael L. 1979. "Engineering the macro-nano interface: Designing the directed self-assembly and interfacial interactions of gold nanoparticle monolayers." Thesis, University of Oregon, 2008. http://hdl.handle.net/1794/7504.
Full textAbstract:
xviii, 192 p.<br>Gold nanoparticles in the 1-2 mn core diameter size regime have generated a great deal of interest due to their size-dependent electronic, optical, and catalytic properties. A number of proof-of-concept experiments have demonstrated that small metal nanoparticles can be integrated into single electron transistors and optical waveguides. Still, reliable incorporation of gold nanoparticles into devices requires practical methods for their assembly on surfaces. Additionally, surface modification methods must be developed in order to control interparticle interactions and nanoparticle-environment interactions for use in sensing and catalysis.
In this research, nanoparticle-substrate interactions were utilized to assemble surface-bound gold nanoparticle monolayers with interesting electronic and catalytic properties. Gold nanoparticles (1.5 nm diameter) with a thiol ligand shell containing phosphonic acid terminal functionality were synthesized and assembled selectively onto hafnium-modified silicon dioxide substrates through bonding of the terminal phosphonate to Hf(IV) surface groups. By increasing the surface coverage of Hf, it was possible to assemble monolayers of gold nanoparticles dense enough to exhibit nonlinear current-voltage properties across a 5-μm electrode gap at room temperature. Moreover, by taking advantage of the selectivity of this ligand shell for ZnO over SiO 2 , small gold nanoparticles were utilized as catalysts for selective growth of patterned, vertical ZnO nanowire arrays.
In addition to engineering nanoparticle-substrate interactions, new surface modification methods were introduced to manipulate the interaction of the as-deposited gold nanoparticle monolayers with the environment. For example, thiol-thiol ligand exchange reactions were carried out on the surface-bound nanoparticle monolayers by immersion in dilute thiol solutions. Contact angle and XPS measurements indicate that the upper, surface-exposed phosphonic acid ligands are replaced by incoming thiol ligands. TEM measurements indicate that nanoparticle monolayers remain surface-bound and are stable to this exchange process, as the average particle size and surface coverage are preserved. As another example, the ligand shell can be partially removed by UV/ozone treatment to expose bare gold cores to the surrounding environment. On metal oxide substrates, this approach activates the particles for room temperature oxidation of carbon monoxide to carbon dioxide.
This dissertation includes both my previously published and my co-authored materials.<br>Adviser: James E. Hutchison
4
Zhang, Jing. "Design and implementation of DNA-Directed Immobilisation (DDI) glycoarrays for probing carbohydrate-protein interactions." Phd thesis, Ecole Centrale de Lyon, 2010. http://tel.archives-ouvertes.fr/tel-00605541.
Full text
5
Haidar, Ali. "Numerical simulation of nonlinear shallow-water interactions between surface waves and a floating structure." Electronic Thesis or Diss., Université de Montpellier (2022-....), 2022. https://ged.scdi-montpellier.fr/florabium/jsp/nnt.jsp?nnt=2022UMONS093.
Full textAbstract:
Dans cette Thèse de Doctorat, nous nous intéressons à deux problématiques: (i) le développement de stratégies de stabilisation pour des méthodes de type discontinuous Galerkin (DG) appliquées à des écoulements shallow-water fortement non-linéaires, (ii) le développement d'une stratégie de modélisation et de simulation numérique des interactions non-linéaires entre les vagues et un objet flottant en surface, partiellement immergé. Les outils développés dans le cadre du premier axe de travail sont mis à profit et valorisés au cours de la deuxième partie.Les méthodes de discrétisation de type DG d'ordre élevé présentent en général des problèmes de robustesse en présence de singularités de la solution. Ces singularités peuvent être de plusieurs natures: discontinuité de la solution, discontinuité du gradient ou encore violation de la positivité de la hauteur d'eau pour des écoulements à surface libre. Nous introduisons dans la première partie de ce manuscript deux approches de type Finite-Volume Subcells permettant d'apporter une réponse à ces problèmes de robustesse. La première approche repose sur une correction a priori du schéma DG associée à un limiteur TVB et un limiteur de positivité. La seconde approche s'appuie quant à elle sur une correction a posteriori permettant d'identifier avec une meilleure précision les cellules incriminée, ainsi que sur les propriétés de robustesse inhérentes au schéma Volumes-Finis limite d'ordre un. Cette seconde approche permet d'assurer la robustesse du schéma DG initial en présence de discontinuité, ainsi que la positivité de la hauteur d'eau, tout en préservant une excellente qualité d'approximation, bénéficiant d'une résolution de l'ordre de la sous-maille. De façon préliminaire, cette seconde approche est également étendue au cas de la dimension deux d'espace horizontal. De nombreux cas-test permettent de valider cette approche.Dans la seconde partie, nous introduisons une nouvelle stratégie numérique conçue pour la modélisation et la simulation des interactions non linéaires entre les vagues en eau peu profonde et un objet flottant partiellement immergé. Au niveau continu, l'écoulement situé dans le domaine extérieur est globalement modélisé par les équations hyperboliques non-linéaires de Saint-Venant, tandis que la description de l'écoulement sous l'objet se réduit à une équation différentielle ordinaire non linéaire. Le couplage entre l'écoulement et l'objet est formulé comme un problème au bord, associé au calcul de l'évolution temporelle de la position des points d'interface air-eau-objet. Au niveau discret, la formulation proposée s'appuie sur une approximation DG d'ordre arbitraire, stabilisée à l'aide de la méthode de correction locale des sous-cellules (a posteriori) introduite dans la première partie. L'évolution temporelle de l'interface air-eau-objet est calculée à partir d'une description Arbitrary Lagrangian-Eulerian (ALE) et d'une transformation appropriée entre la configuration initiale et celle dépendant du temps. Pour n'importe quel ordre d'approximation polynomiale, l'algorithme résultant est capable de: (1) préserver la loi de conservation géométrique discrète (DGCL), (2) garantir la préservation de la positivité de la hauteur d'eau au niveau des sous-cellules, (3) préserver la classe des états stationnaires au repos (well-balancing), éventuellement en présence d'un objet partiellement immergé.Plusieurs validations numériques sont présentées, montrant le caractère opératoire de cette approche, et mettant en évidence que le modèle numérique proposé: (1) permet effectivement de modéliser les différents types d'interactions vague / objet flottants, (2) calcul efficacement l' évolution temporelle des points de contact air-eau-objet et redéfinit en conséquence le nouveau maillage grâce à la méthode ALE, (3) gère avec précision et robustesse les possibles singularités de l'écoulement, (4) préserve la haute résolution des schémas DG au niveau des sous-cellules<br>In this Ph.D., we investigate two main research problems: (i) the design of stabilization patches for higher-order discontinuous-Galerkin (DG) methods applied to highly nonlinear free-surface shallow-water flows, (ii) the construction of a new numerical approximation strategy for the simulation of nonlinear interactions between waves in a free-surface shallow flow and a partly immersed floating object. The stabilization methods developed in the first research line are used in the second part of this work.High-order discontinuous-Galerkin (DG) methods generally suffer from a lack of nonlinear stability in the presence of singularities in the solution. Such singularities may be of various kinds, involving discontinuities, rapidly varying gradients or the occurence of dry areas in the particular case of free-surface flows. In the first part of this work, we introduce two new stabilization methods based on the use of Finite-Volume Subcells in order to alleviate these robustness issues. The first method relies on an a priori limitation of the DG scheme, together with the use of a TVB slope-limiter and a PL. The second one is built upon an a posteriori correction strategy, allowing to surgically detect the incriminated local subcells, together with the robustness properties of the corresponding lowest-order Finite-Volume scheme. This last strategy allows to ensure the nonlinear stability of the DG scheme in the vicinity of discontinuities, as well as the positivity of the discrete water-height, while preserving the subcell resolution of the initial scheme. This second strategy is also preliminary investigated in the two dimensional horizontal case. An extensive set of test-cases assess the validity of this approach.In the second part, we introduce a new numerical strategy designed for the modeling and simulation of nonlinear interactions between surface waves in shallow-water and a partially immersed surface piercing object. At the continuous level, the flow located in the textit{exterior} domain is globally modeled with the nonlinear hyperbolic shallow-water equations, while the description of the flow beneath the object reduces to a nonlinear ordinary differential equation. The coupling between the flow and the object is formulated as a free-boundary problem, associated with the computation of the time evolution of the spatial locations of the air-water-body interface. At the discrete level, the proposed formulation relies on an arbitrary-order discontinuous Galerkin approximation, which is stabilized with the a posteriori Local Subcell Correction method through low-order finite volume scheme introduced in the first part. The time evolution of the air-water-body interface is computed from an Arbitrary-Lagrangian-Eulerian (ALE) description and a suitable smooth mapping between the original frame and the current configuration. For any order of polynomial approximation, the resulting algorithm is shown to: (1) preserves the Discrete Geometric Conservation Law, (2) ensures the preservation of the water-height positivity at the subcell level, (3) preserves the class of motionless steady states (well-balancing), possibly with the occurrence of a partially immersed object.Several numerical computations and test-cases are presented, highlighting that the proposed numerical model(1) effectively allows to model all types of wave / object interactions, (2) efficiently provides the time-evolution of the air-water-body contact points and accordingly redefine the new mesh-grid thanks to ALE method (3) accurately handles strong flow singularities without any robustness issues, (4) retains the highly accurate subcell resolution of discontinuous Galerkin schemes
6
Awassa, Jazia. "Mécanismes antibactériens des hydroxydes doubles lamellaires à base de zinc." Electronic Thesis or Diss., Université de Lorraine, 2022. http://www.theses.fr/2022LORR0155.
Full textAbstract:
Les hydroxydes doubles lamellaires (HDL) sont des composés solides constitués par un ensemble de feuilles d'hydroxydes métalliques divalents M(II) et trivalents M(III) entre lesquels s’insèrent des anions et des molécules d’eau. En raison de la flexibilité des HDL en termes de propriétés physico-chimiques, l’étude des différents mécanismes antibactériens qui leurs sont associés présente un intérêt croissant. Ce travail de thèse vise à étudier différentes hypothèses proposées pour explique l'effet antibactérien des hydroxydes doubles lamellaire (HDL) à base de zinc : (1) interactions directes entre la surface des HDL et les parois bactériennes, (2) libération d'ions métalliques divalents en solution depuis les feuillets des HDL, (3) génération d'espèces réactives de l'oxygène (ROS). Lors d’une première étude, une investigation globale a été réalisée pour déterminer les différents paramètres physico-chimiques influençant l'activité antibactérienne des HDLs M(II)Al(III) (M= Zn, Cu, Ni, Co, Mg). L'effet antimicrobien des HDLs contre les bactéries Gram-positives Staphylococcus aureus et Gram-négatives Escherichia coli a été corrélé en premier lieu à la nature du métal divalent, et en second lieu à la quantité d'ions M2+aq libérés dans le milieu de culture. Cet effet était plus prononcé pour les HDLs à base de Zn(II) possédant la plus forte activité antibactérienne et dont les propriétés antibactériennes dépendent du profil de libération des ions Zn2+aq (Mécanisme 2) contrôlée initialement par les différents paramètres physico-chimiques étudiés. De plus, rôle du contact direct (Mécanisme 2) a été validé pour les HDLs à base de Zn(II) en comparant l'activité antibactérienne d’HDLs de taille micrométrique contre S. aureus à celle des nanoparticules (NPs) d’HDL présentant un effet antibactérien supérieur. La présence d'interactions spécifiques entre les HDLs à base de Zn(II) et la paroi de S. aureus a été validée par microscopie à force atomique en mode spectroscopie de force (AFM-FS). L'amélioration des propriétés antibactériennes des NPs d’HDL à base de Zn(II) par la génération de ROS (Mécanisme 3) en présence de lumière UVA a également été évaluée. Après avoir fourni des preuves expérimentales sur les trois mécanismes suggérés, la contribution de chaque mécanisme dans l'activité antibactérienne des HDLs à base de Zn(II) a été déterminé<br>Layered double hydroxides (LDH) are solid compounds constituted by the stacking of divalent M(II) and trivalent M(III) metal hydroxide sheets separated by an interlayer of anions and water molecules. Due to the versatility of LDH in terms of their tunable physico-chemical properties, a growing interest arises for investigating their different antibacterial activity mechanisms. This thesis work aims at studying the different proposed hypotheses explaining the antibacterial effect of pristine zinc-based LDHs: (1) direct interactions between the surface of LDH and bacterial cell walls, (2) release of constituent divalent metal ions, (3) generation of reactive oxygen species (ROS). First a global investigation was performed to determine the different physico-chemical parameters influencing the antibacterial activity of pristine M(II)Al(III) LDHs (M= Zn, Cu, Ni, Co, Mg). The antimicrobial effect of LDHs against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli bacteria was linked in the first place to the nature of divalent metal itself, and to the amount of released M2+aq ions into the culture media in the second place. This effect was more easily identified in Zn(II)-based LDHs possessing the strongest antibacterial activity and whose antibacterial properties depended on their release profile of Zn2+aq ions (Mechanism 2) initially controlled by the different physico-chemical parameters. Moreover, the direct contact mechanism (Mechanism 1) was validated for Zn(II)-based LDHs by comparing the antibacterial activity of micron-sized LDHs against S. aureus to that of LDH nanoparticles (NPs) exhibiting a greater antibacterial effect. The presence of specific surface interactions between Zn(II)-based LDHs and the cell wall of S. aureus was further validated by atomic force microscopy-based force spectroscopy (AFM-FS). The enhancement of the antibacterial properties of Zn(II)-based LDH NPs by ROS generation (Mechanism 3) in presence of UVA light was also assessed. After providing experimental evidences about the three suggested mechanisms, the role of each mechanism contributing to the antibacterial activity of Zn(II)-based LDHs in different antibacterial tests assays was determined
7
Neltner, Brian. "Creating selective directional interactions with defects caused by subnanometre-ordered ligand domains on the surface of colloidal metal nanoparticles for the purpose of directed self-assembly." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/32848.
Full textAbstract:
Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2005.<br>Includes bibliographical references (p. 42-43).<br>Introduction: The ability to utilize directional, specific bonds are a fundamental property of atoms which has allowed us to predictably create molecules of consistent geometry and composition for centuries. One fundamental difference between a true atom and a nanoparticle is that to date, nanoparticles do not possess this property.<br>by Brian Neltner.<br>S.B.
8
Rimbault, Charlotte. "Modulation des interactions impliquant les domaines PDZ par une approche d’évolution dirigée." Thesis, Bordeaux, 2016. http://www.theses.fr/2016BORD0438/document.
Full textAbstract:
Les interactions protéine-protéine (IPPs), complexes et dynamiques, sont le cœur des réseaux protéiques cellulaires. Au niveau des synapses excitatrices, la densité post-synaptique (PSD) est un exemple typique de réseau protéique dont la structure et la composition à l’échelle nanoscopique détermine la fonction cellulaire. Ainsi, la régulation dynamique de la composition de la PSD et des mouvements des récepteurs au glutamate dans ou hors de la PSD constitue la base des théories moléculaires actuelles sur l’apprentissage et la mémoire. Dans ce contexte, durant ma thèse, j’ai étudié une classe d’IPPs faisant intervenir les domaines PDZ. En effet, durant ces dernières années, de nombreuses études ont démontré l’implication de ces interactions impliquant les domaines PDZ de la famille de PSD95 dans le ciblage synaptique et l’ancrage des récepteurs au glutamate. Cependant, en partie dû au manque d’outils adaptés, les mécanismes moléculaires sous-jacents qui contrôlent de façon dynamique leur rétention à la synapse restent mal compris. Dans le but d’étudier ces interactions impliquant des domaines PDZ, j’ai développé plusieurs stratégies de sélection par phage display basées sur l’utilisation du dixième domaine de type III de la fibronectine humaine (10Fn3) dans le but de cibler les motifs d’interaction aux domaines PDZ des récepteurs (Stargazin pour les rAMPA et GluN2A pour les rNMDA) ou les domaines PDZ eux-mêmes. En utilisant une approche multidisciplinaire, mes objectifs principaux ont été de concevoir de petits anticorps synthétiques qui nous permettront de rompre ou de stabiliser spécifiquement ces complexes protéiques, ainsi que d’observer les interactions endogènes<br>Complex and dynamic protein-protein interactions are the core of protein-based networks in cells. At excitatory synapses, the postsynaptic density (PSD) is a typical example of protein-based network whose nanoscale structure and composition determines the cellular function. For instance, the dynamic regulation of PSD composition and glutamate receptors movements into or out of the PSD are the base of current molecular theories of learning and memory. In this context, during my PhD, I focused on a class of protein-protein interactions mediated by PDZ domains. Indeed, over the last decade, numerous studies have shown the critical implication of PDZ domain-mediated interactions from the PSD95 scaffolding protein family in the synaptic targeting and anchoring of glutamate receptors. However, in part due to the lack of adapted tools, the molecular mechanisms that dynamically govern their respective synaptic retention remain poorly understood. In order to investigate these PDZ domain-mediated interactions, I developed several selection strategies by phage-display based on the fibronectin type III (FN3) scaffold in order to either target the PDZ domain-binding motifs of the receptors complexes (e.g., stargazin for AMPARs and GluN2A for NMDARs) or the PDZ domains themselves. Using a multidisciplinary approach, my main objectives were to engineer small synthetic antibodies that will allow us to acutely and specifically disrupt or stabilize these protein complexes, as well as monitor endogenous interactions
9
Took, Roger Kenton. "Surface interaction : separating direct manipulation interfaces from their applications." Thesis, University of York, 1990. http://etheses.whiterose.ac.uk/13997/.
Full textAbstract:
To promote both quality and economy in the production of applications and their interactive interfaces, it is desirable to delay their mutual binding. The later the binding, the more separable the interface from its application. An ideally separated interface can factor tasks from a range of applications, can provide a level of independence from hardware I/O devices, and can be responsive to end-user requirements. Current interface systems base their separation on two different abstractions. In linguistic architectures, for example User Interface Management Systems in the Seeheim model, the dialogue or syntax of interaction is abstracted in a separate notation. In agent architectures like Toolkits, interactive devices, at various levels of complexity, are abstracted into a class or call hierarchy. This Thesis identifies an essential feature of the popular notion of direct manipulation: directness requires that the same object be used both for output and input. In practice this compromises the separation of both dialogue and devices. In addition, dialogue cannot usefully be abstracted from its application functionality, while device abstraction reduces the designer's expressive control by binding presentation style to application semantics. This Thesis proposes an alternative separation, based on the abstraction of the medium of interaction, together with a dedicated user agent which allows direct manipulation of the medium. This interactive medium is called the surface. The Thesis proposes two new models for the surface, the first of which has been implemented as Presenter, the second of which is an ideal design permitting document quality interfaces. The major contribution of the Thesis is a precise specification of an architecture (UMA), whereby a separated surface can preserve directness without binding in application semantics, and at the same time an application can express its semantics on the surface without needing to manage all the details of interaction. Thus UMA partitions interaction into Surface Interaction, and deep interaction. Surface Interaction factors a large portion of the task of maintaining a highly manipulable interface, and brings the roles of user and application designer closer.
10
Mohammad, Ali Monadjemi Shirin. "Phototransformation de matières actives à la surface des végétaux . Mécanismes des réactions directes et sensibilisées." Phd thesis, Université Blaise Pascal - Clermont-Ferrand II, 2012. http://tel.archives-ouvertes.fr/tel-00836760.
Full textAbstract:
La phototransformation des matières actives à la surface des plantes après pulvérisation a une influence considérable sur l'efficacité des traitements. Dans ce travail, l'ensemble des réactions photochimiques se produisant sur des supports modèles des cires végétales dans des conditions proches des conditions environnementales ont été étudiées dans le cas d'un fongicide (le chlorothalonil) et d'un herbicide (la cycloxydime). Nous avons considéré les réactions photochimiques induites par l'absorption de lumière par les composés eux-mêmes et celles faisant intervenir des sensibilisateurs comme les métabolites secondaires des plantes. Dans chacun des cas, des études mécanistiques détaillées ont été conduites. Nous montrons que le chlorothalonil possède la capacité remarquable de produire de l'oxygène singulet avec un rendement quantique proche de l'unité. En parallèle, la réactivité de la cycloxydime avec l'oxygène singulet a été montrée. De ce fait, la phototransformation de la cycloxydime sur film de cire est accélérée lorsque des sensibilisateurs naturels, tels que les phytoalexines sont ajoutés à la cire, ou lorsque des traces de chlorothalonil sont présents à la surface du modèle foliaire. Ce travail a permis 1) de comprendre le mécanisme de phototransformation par excitation directe et sensibilisées du chlorothalonil et de la cycloxydime, 2) de mesurer de nombreuses données physico-chimiques (constantes de vitesse de réaction, rendements quantiques, durées de vie, caractéristiques spectrales des transitoires) et 3) de mettre au point un protocole expérimental permettant d'étudier la photochimie de molécules à l'état solide incluses dans des films de cire.
11
Gosselet, Adam. "Inversion conjointe d'arrivées réfléchies de surface et d'arrivées directes au puits par tomographie de pente." Paris, ENMP, 2004. http://www.theses.fr/2004ENMP1266.
Full textAbstract:
La tomographie sismique, consistant à retrouver les vitesses de propagation des ondes dans le sous-sol, est une étape décisive pour l’obtention d’images géologiques précises nécessaires à l’exploration pétrolière. La méthode proposée, basée sur l’inversion des temps de trajets et des pentes des ondes sismiques, traite conjointement les données de surface et les arrivées directes au puits. Ces dernières permettent une meilleure fiabilité du champ de vitesses en terme de précision et de calage profondeur. L’utilisation de la pente permet de les rétropropager dans le modèle résultat pour en estimer la qualité en terme de capacité de focalisation. La méthode est appliquée à deux jeux de données réelles. L’un ne fournit que des données de puits se révèlant incapables de contraindre correctement les paramètres du modèle pour cause de couverture trop faible en surface. Le second démontre la complémentarité des données de surface et de puits et l’amélioration de l’imagerie due à ces dernières<br>Seismic tomography, which aims to determine propagation velocities of waves in the subsoil, is a key point in obtaining accurate geological images in petroleum exploration. The methodology proposed here consists in inverting both seismic waves traveltimes and slopes and jointly uses surface data and direct borehole arrivals. These latter allow better reliability of the velocity field because they can provide more accurate values and enhanced depth fitting. Using slopes, they can be retropropagated in the inverted model in order to assess its quality in terms of focusing capability. The method is applied on two data sets. First one provides borehole data only and is unable to correctly constrain model parameters, due to lack of coverage at surface. Second one demonstrates that joint use of surface and borehole data provides enhanced seismic images compared to use of surface data alone
12
Zidan, M. D. "Gas-liquid surface interactions." Thesis, University of Sussex, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.333478.
Full text
13
Nguyen, Minh Quan. "Simulation numérique des interactions fluides-polymères dans le cadre d'une turbulence homogène isotrope." Thesis, Lyon, 2016. http://www.theses.fr/2016LYSEC026/document.
Full textAbstract:
Dans cette thèse, des simulations numériques directes (DNS) de fluides non Newtoniens (basées sur le modèle rhéologique FENE-P) ont été réalisées et comparées avec des DNS de fluides Newtoniens à même viscosité. Les comparaisons sont effectuées sur les statistiques dans l’espace physique et également dans l’espace spectral. Le résultat le plus remarquable est l’émergence d’une nouvelle loi de puissance avec l’exposant -6 pour l’évolution du spectre d’énergie cinétique, dans la zone dissipative. Nous constatons que dans cette région, il y a une injection d’énergie qui provient des polymères et est transférée au fluide porteur, qui est généralement négligée ou inobservable dans les autres travaux de la littérature. Cette injection d’énergie est responsable de cette nouvelle loi de puissance. Nous avons établi un bilan d’énergie échelle par échelle et une estimation approximative des quantités d’énergie échangée qui confirme ce mécanisme<br>No abstract
14
Hessey, Stephen. "Surface interactions of ionic liquids." Thesis, University of Nottingham, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.664318.
Full textAbstract:
This thesis presents an investigation into the interactions between IL surfaces and gases through studying the kinetics of absorption, adsorption and desorption. A model for absorption is presented in which a gaseous molecule that impacts the surface first enters a physisorbed state, from which it can either desorb or be absorbed into the bulk IL.
15
Mouncey, Simon Patrick. "Low energy ion-surface interactions." Thesis, Queen's University Belfast, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.333823.
Full text
16
Cotton, Ross Thomas. "Surface interactions of soccer balls." Thesis, Loughborough University, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.536210.
Full text
17
Subedi, Laxmi P. "AFM Tip-Graphene-Surface Interactions." University of Akron / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=akron1291144388.
Full text
18
Clowes, Steven Kenneth. "Experimental studies of surface-adsorbate interactions and surface magnetism." Thesis, University of York, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.323531.
Full text
19
Ye, Zhou. "Effect of Nanoscale Surface Structures on Microbe-Surface Interactions." Diss., Virginia Tech, 2017. http://hdl.handle.net/10919/85387.
Full textAbstract:
Bacteria in nature predominantly grow as biofilms on living and non-living surfaces. The development of biofilms on non-living surfaces is significantly affected by the surface micro/nano topography. The main goal of this dissertation is to study the interaction between microorganisms and nanopatterned surfaces. In order to engineer the surface with well-defined and repeatable nanoscale structures, a new, versatile and scalable nanofabrication method, termed Spun-Wrapped Aligned Nanofiber lithography (SWAN lithography) was developed. This technique enables high throughput fabrication of micro/nano-scale structures on planar and highly non-planar 3D objects with lateral feature size ranging from sub-50 nm to a few microns, which is difficult to achieve by any other method at present. This nanolithography technique was then utilized to fabricate nanostructured electrode surfaces to investigate the role of surface nanostructure size (i.e. 115 nm and 300 nm high) in current production of microbial fuel cells (MFCs). Through comparing the S. oneidensis attachment density and current density (normalized by surface area), we demonstrated the effect of the surface feature size which is independent of the effect on the surface area. In order to better understand the mechanism of microorganism adhesion on nanostructured surfaces, we developed a biophysical model that calculates the total energy of adhered cells as a function of nanostructure size and spacing. Using this model, we predict the attachment density trend for Candida albicans on nanofiber-textured surfaces. The model can be applied at the population level to design surface nanostructures that reduce cell attachment on medical catheters. The biophysical model was also utilized to study the motion of a single Candida albicans yeast cell and to identify the optimal attachment location on nanofiber coated surfaces, thus leading to a better understanding of the cell-substrate interaction upon attachment.<br>Ph. D.
20
Montagne, Franck. "Elaboration de latex magnétiques à partir d'émulsions directes de ferrofluide : forces de surface entre conjugués particules-oligodésoxyribonucléotides." Lyon 1, 2002. http://www.theses.fr/2002LYO10241.
Full textAbstract:
Ce travail a consisté à élaborer des supports magnétiques particulaires fonctionnalisés à partir d'émulsions directes de ferrofluide pour des applications dans le domaine du diagnostic médical. Cela a d'abord nécessité la préparation d'émulsions magnétiques de type huile-dans-eau obtenues par émulsification d'un ferrofluide organique. Ce ferrofluide a été synthétisé par voie chimique, puis caractérisé à l'aide de nombreuses techniques afin de déterminer sa composition, la nature et la taille des nanoparticules d'oxyde de fer ainsi que ses propriétés magnétiques. Les émulsions magnétiques obtenues ont également été caractérisées afin de mettre en évidence la composition et la morphologie des gouttelettes ainsi que les propriétés colloi͏̈dales. Les particules de latex magnétiques ont ensuite été préparées par polymérisation à l'intérieur des gouttelettes d'émulsion gonflées par le styrène. Deux principaux systèmes de polymérisation ont été étudiés, le premier faisant intervenir un amorceur organosoluble (AIBN), le second un amorceur hydrosoluble (KPS). L'utilisation d'un polymère amphiphile, dont l'adsorption à la surface des gouttes d'émulsion a été préalablement étudiée, a permis d'obtenir des particules de latex fonctionnalisées. Différents mécanismes de polymérisation ont également été proposés en fonction de la nature de l'amorceur utilisé. La morphologie des particules de latex magnétiques a été discutée en détail sur la base d'une approche thermodynamique et cinétique du phénomène. Finalement, des conjugués particules/ODN ont été préparés puis étudiés à l'aide de la technique de mesure de forces colloi͏̈dales, qui a montré l'évolution de la nature des forces répulsives s'exerçant entre les particules en fonction du pH et de la force ionique du milieu. L'épaisseur de la couche d'ODN immobilisée en surface a également été déterminée par cette méthode.
21
Melki, Mickaël. "Les interactions directes et indirectes entre idéologie et croissance économique : Cinq essais appliqués au cas français,1870-2011." Paris 1, 2012. https://tel.archives-ouvertes.fr/tel-00767439.
Full textAbstract:
Cette thèse cherche à étudier les liens entre l'idéologie politique des individus et la croissance économique. Premièrement, étant donné que les normes sociales des individus sont supposées influencer la croissance de long-terme, nous nous intéressons à la façon dont la dimension politique de ces normes joue sur les performances économiques d'un pays. Dans ce contexte, nous nous demandons si l'idéologie politique influence directement la croissance ou indirectement à travers des canaux politiques représentés par les politiques votées par les individus. L'idéologie d'un pays pouvant être définie comme le choix d'une société concernant le niveau approprié d'intervention du gouvernement dans l'économie, nous étudions également si l'intervention du gouvernement peut jouer le rôle de mécanisme de transmission dans la relation idéologie-croissance. Deuxièmement, dans la mesure où les comportements électoraux reflètent l'idéologie politique des individus, nous étudions l'impact de la croissance économique sur l'idéologie des électeurs. Plus précisément, nous avons pour but d'étudier la manière dont la croissance économique affecte les comportements électoraux. Par conséquent, notre objectif est double. Nous souhaitons améliorer la compréhension du rôle joué par l'idéologie et plus généralement les croyances des individus dans le processus de croissance économique et ainsi contribuer à la littérature sur la croissance économique. Nous participons aussi à la recherche sur les déterminants des croyances des individus et de leur évolution. Pour cela, nous utilisons une nouvelle base de données couvrant l'ensemble de l'expérience démocratique française depuis 1870. Nous avons également construit des bases de données similaires pour les Etats-Unis et le Royaume-Uni mais cette thèse est principalement appliquée au cas français. L'étude de pays individuels en longue période requiert l'emploi d'analyses en série temporelle avec des données annuelles. Nos résultats nous permettent d'identifier un effet de l'idéologie politique sur la croissance économique tout au long de l'expérience démocratique française. Nous trouvons qu'un déplacement de l'idéologie des électeurs vers la droite du spectre politique a un effet de long terme positif sur la croissance économique. Nous trouvons également que cet effet de l'idéologie sur la croissance passe par la taille du gouvernement pour la période pré-première guerre mondiale mais pas pour la période post-guerre. Cela suppose donc un effet direct de l'idéologie politique sur la croissance politique pour la période pré-guerre et un effet indirect pour la période post-guerre. Nous trouvons que cette différence s'explique par des relations non stables entre idéologie et taille du gouvernement d'un côté et entre taille de l'Etat et croissance économique de l'autre. Nos résultats nous permettent également d'identifier que la croissance économique ne fait pas basculer l'idéologie des électeurs vers la droite ou la gauche. Néanmoins, nous trouvons que la croissance économique influence l'instabilité idéologique des électeurs qui changent leurs habitudes de vote.
22
Katuri, Jaideep. "Guiding active particles through surface interactions." Doctoral thesis, Universitat de Barcelona, 2018. http://hdl.handle.net/10803/663989.
Full textAbstract:
Living organisms and systems are continually converting energy, either internally stored or transduced from their surroundings, into motion. This activity and the resulting self-propulsion constantly push these biological systems out of thermal equilibrium. A number of exotic phenomenon result from the intrinsic non-equilibrium nature of these living systems, that are not accessible in a system at thermal equilibrium. In recent years, these ubiquitous non-equilibrium systems have come to be classified as active matter. Active matter, by definition, refers to systems composed of active units, each capable of converting ambient or stored energy into systematic movement. Examples range from the sub-micrometer scale, with microtubules associated with motor proteins in the cytoplasm, to the micrometer length scales of swimming bacteria, and the meter-length scales of greater familiarity, such as that of fish and birds.
There are two common themes that run through all these active matter systems. The first is the emergence of correlated collective phenomenon through particle-particle interactions as exemplified in flocking of birds, swarming of bacteria and crystallization of self-propelled particles. And the second is the ability of the active units to interact with their surroundings through self-propulsion. Common examples of this include chemotaxis and rheotaxis, observed in many biological systems. In this thesis, I have focussed on studying the ability of artificial active matter systems to respond to their local environment.
As a model active matter system, we use colloidal active particles, that propel due to self-diffusiophoresis. These particles coated with two different materials on each half are referred to as Janus particles. In a solution of H2O2, one of the sides has catalytic properties (Pt), while the other half remains inert (SiO2). This creates a concentration gradient of the reaction product along the surface of the particle and induces a phoretic slip, which propels the particle. We study the dynamics of these self-phoretic particles close to solid surfaces. The particles interact with their surroundings via hydrodynamic and phoretic effects and we observe that when confined closed to a surface, a strong alignment interaction comes into play. This effect can be used to guide micron sized active particles along predetermined pathways. We then exploit this alignment interaction to design micropatterned ratchets capable of generating a strong directional flow of active particles. A different geometry of the same system can also be used to accumulate active particles in confined areas. Finally, we study the influence of an applied external shear flow on the dynamics of active particles near surfaces. We find that a strong directional response emerges for the active particles in the direction perpendicular to the flow direction leading to the cross-stream migration of active particles. This response is dependent on the applied shear flow and the propulsion velocity of the particle, potentially opening up a possibility to sort particles of different activities based on their response to shear flows. Overall, our results indicate that active particles can have a strong directional response in certain environments allowing us to engineer ways of guiding them.<br>Los organismos y sistemas vivos convierten energía almacenada internamente o derivada de sus alrededores en movimiento de forma continua. Esta actividad puede causar una constante auto-propulsión que lleva a estos sistemas a un estado fuera de equilibrio térmico. Gracias a esto, aparecen un gran número de fenómenos exóticos que no son accesibles para un sistema que se encuentra en equilibrio térmico. En los últimos años se ha clasificado a estos sistemas de no equilibro como “material activa”. La materia activa, por definición, incluye los sistemas compuestos de unidades activas, cada una de ellas capaz de convertir la energía almacenada o del entorno en movimiento sistemático. Existen varios ejemplos que van desde la escala sub-micrométrica, donde podemos encontrar a los microtúbulos asociados a proteínas motoras en el citoplasma, a las grandes escalas, donde se encuentran sistemas más familiares como peces o pájaros, pasando por la escala micrométrica, donde nadan las bacterias.
Podemos diferenciar dos temas principales que se manifiestan en todos estos sistemas de materia activa. El primero es la aparición de fenómenos colectivos correlacionados a través de interacciones partícula-partícula, como ocurre en bandadas de pájaros, enjambres bacterianos y la cristalización de partículas auto-propulsadas. El segundo es la capacidad de estas unidades activas de interaccionar con sus alrededores a través del fenómeno de la auto-propulsión, por ejemplo, a través de quimiotaxia o reotaxia, como se puede observar en muchos sistemas biológicos y que ya han sido reportados en varios estudios. En esta tesis, me he enfocado en el estudio de este último tema principal: la interacción de partículas activas con su entorno local.
Como modelo de sistema de materia activa, usamos partículas activas coloidales que se propulsan gracias al fenómeno de auto-difusioforesis. Estas partículas están recubiertas por dos materiales diferentes en cada una de sus caras, y son comúnmente llamadas “partículas Janus”. Una de sus caras está recubierta con Pt, material que cataliza la descomposición de H2O2, mientras que la otra cara está recubierta de un material inerte (SiO2). En una solución de H2O2, la reacción que ocurre en la parte catalítica produce un gradiente de concentración de producto a lo largo de la superficie de la partícula e induce un deslizamiento forético que la propulsa. En esta tesis se ha estudiado la dinámica de estas partículas "autoforéticas" cerca de superficies sólidas. De manera natural, las partículas interaccionan con su alrededor debido a los efectos foréticos e hidrodinámicos. Cuando estas partículas se hayan confinadas cerca de una superficie, observamos que se origina en ellas una fuerte interacción de alineamiento. A partir de ello, consideramos interesante diseñar ratchets micro estampados capaces de generar un flujo direccional de partículas activas. Por otra parte, estudiamos la influencia de aplicar un flujo de cizalla externo en la dinámica de las partículas activas cerca de superficies. A consecuencia del flujo externo, encontramos que en el sistema emerge una respuesta fuertemente direccional para las partículas activas en la dirección perpendicular al flujo provocando una migración "cross-stream" de partículas activas.
23
Kerford, M. "Modelling of energetic molecule-surface interactions." Thesis, University of Surrey, 2000. http://epubs.surrey.ac.uk/843052/.
Full textAbstract:
This thesis contains the results of molecular dynamics simulations of molecule-surface interactions, looking particularly at fullerene molecules and carbon surfaces. Energetic impacts of fullerene molecules on graphite create defect craters. The relationship between the parameters of the impacting molecule and the parameters of the crater are examined and found to be a function of the energy and velocity of the impacting molecule. Less energetic fullerene molecules can be scattered from a graphite surface and the partitioning of energy after a scattering event is investigated. It is found that a large fraction of the kinetic energy retained after impact is translational energy, with a small fraction of rotational energy and a number of vibrational modes. At impact energies where the surface is not broken and at normal incidence, surface waves are seen to occur. These waves are used to develop a method of desorbing molecules from a graphite surface without damage to either the surface or the molecules being desorbed. A number of fullerene molecules are investigated and ways to increase the desorption yield are examined. It is found that this is a successful technique for desorbing large numbers of intact molecules from graphite. This technique could be used for desorbing intact molecules into a gas phase for mass spectrometric analysis.
24
Thom, Alasdair D. "Analysis of vortex-lifting surface interactions." Thesis, University of Glasgow, 2011. http://theses.gla.ac.uk/3037/.
Full textAbstract:
The interaction of a vortex with a lifting surface occurs in many aerodynamic systems, and can induce significant airloads and radiate impulsive noise. Yet due to their complex nature, the ability to accurately model the important flow physics and noise radiation characteristics of these interactions in realistic situations has remained elusive. This work examines two cases of vortex-lifting surface interactions by enhancing the capabilities of a high fidelity flow solver. This flow solver utilises high spatial discretisation accuracy with a 5th order accurate WENO scheme, and overset meshes to accurately resolve the formation, evolution and interaction of a tip vortex using an inviscid approximation of the fluid. An existing computational infrastructure is further developed and applied to analyse blade-vortex interactions that occur on a helicopter rotor. An idealised interaction is studied, where an independently generated vortex interacts with a rotor. It is found that through the employment of adequate spatial and temporal resolution, the current methodology is capable of resolving the important details of the interaction over a range of vortex-blade miss distances. A careful study of the spatial and temporal resolution requirements is conducted to ensure that the computed results converge to the correct physical solution. It is also demonstrated that a linear acoustic analysis can accurately predict the acoustic energy propagated from these interactions to the far-field, provided the blade surface pressures are accurately computed. The methodology is then used to study an idealised propeller wake-wing interaction, which occur behind a tractor mounted turboprop. A computationally efficient method of modelling the wake-wing interaction is developed and the computed surface pressures of the interaction are confirmed to agree well with the experimental data. The analysis is coupled to an optimisation algorithm to determine a novel wing design, and it is found that significant drag reductions can be achieved with small changes in the twist distribution of the wing. This work confirms that by using a combination of strategies including efficient grids, high order accurate numerical discretisations and a flexible software infrastructure, high fidelity methods can indeed be used to accurately resolve practical cases of vortex-lifting surface interactions in detail while being feasible in a design setting. The airloads and aeroacoustics from these interactions can be accurately predicted, thus confirming that with the modern advances in computing and algorithms, high fidelity methodologies such as those presented in this thesis are in a position to be used to gain a deep understanding of the relevant flow physics and noise radiation patterns, and their impact on aircraft design.
25
Driscoll, Heather Frances. "Understanding shoe-surface interactions in football." Thesis, Sheffield Hallam University, 2012. http://shura.shu.ac.uk/17145/.
Full textAbstract:
One of the key aims of modern football shoe manufacturers is to find the balance between developing a shoe that improves performance but also minimises the risk of injury. Traction properties of the outsole play an important part in reaching this balance; high levels of traction are necessary to enable players to accelerate and change direction without slipping, but excessive traction can lead to stud fixation, a potential cause of injuries. The ability to accurately measure and assess the traction properties is essential in the design of outsoles, but appropriate test parameters need to be used in order for the assessment to relate back to the intended use. The purpose of the study was to develop a method to identify how the shoe interacts with the surface during realistic football movements and then to use observations from data collected to recommend appropriate test parameters. A high-speed camera system was developed to capture the motion of the shoe in both a laboratory and natural turf environment. The cameras were calibrated using the checkerboard approach and filmed at 1000 Hz. Five markers positioned on the side of the shoe were tracked using a semi-automated algorithm developed using image processing techniques. Transposition matrices were used to identify the location of individual studs on the outsole of the shoe enabling the orientation, velocity and acceleration of the shoe to be calculated. Two data collection studies took place; firstly a single-participant study in the laboratory using a force-plate to relate kinematic results to kinetic information and secondly, a larger scale data collection outside on natural turf. Three movements representing scenarios requiring high levels of traction in football were assessed; acceleration, change in direction and braking. A representative trial for each movement was selected and full post-processing analysis was carried out. Information such as the orientation of the shoe on foot-strike, translation directions and centre of rotations during the transition phase and the number of studs in contact with the surface during push-off was obtained for each movement. The period at which the player was at greatest risk of slipping was identified for each movement. The motion of the shoe during this period was used to suggest appropriate test conditions for mechanical and computational traction testing methods. The influence of the shoe-surface interaction on outsole design was also considered; with the observed translation directions and centre of rotations being used to suggest a design aiming to enhance translational traction, but minimise rotational resistance.
26
Hulot, Florence. "Des chaînes aux réseaux trophiques : rôle de la diversité fonctionnelle dans le fonctionnement des écosystèmes." Paris 6, 2001. http://www.theses.fr/2001PA066440.
Full text
27
Nayakasinghe, Mindika Tilan Abeyrathna. "Fundamental Surface Properties and Gas-Surface Interactions of Two-Dimensional Materials." Diss., North Dakota State University, 2019. https://hdl.handle.net/10365/29325.
Full textAbstract:
Heterogeneous model catalysis with supported nanomaterials on ultra-thin two-dimensional films has contributed significantly to improve the existing industrial catalytic processes, as well as to discover novel ways to enhance selectivity, specificity, and stability of the catalysts. Silica and zeolites are of particular interest, which has been widely utilized as catalysts and catalytic supports in several industrial processes. However, there are a limited number of surface science studies with zeolites due to the lack of surface analogs. Understanding the fundamental surface properties of silica and zeolites, involving the synthesis of surface analogs of silica and zeolites, characterization, surface modification, and screening for chemical and physical properties connected to the heterogeneous catalysis related applications utilizing advanced ultra-high vacuum-based surface science techniques is the main focus of this dissertation. Catalyst particles should be finely distributed on high surface area supports, in order to have high selectivity and specificity. Particle agglomeration during extreme catalyst operation (reaction) conditions decreases the efficiency of the catalysts over time. One common strategy to address the issue of particle agglomeration is to promote strong catalyst-support interactions. In this study, chemical reactivity of the inert silica was improved by doping with aluminum, which enhanced the polarity of silica (2D-zeolites) and hence the catalyst-support interactions compared to inert silica. Organohalide perovskite thin films are a fascinating class of material, which attract much attention in the recent past as the light harvesting materials in solar cells due to excellent power conversion efficiencies. However, poor thermal, chemical, and long-term stability limit the industrial applications of these organohalide perovskites. Gas-surface interactions on methylammonium lead iodide perovskite thin films were investigated in order to understand the thermal and the chemical degradation mechanisms utilizing UHV-based surface analytical techniques combined with computational calculations. Thermal stability improvement of the perovskite thin films by surface passivation using a protective chemical inhibition layer was successfully investigated experimentally.<br>ACS-PRF<br>North Dakota State University. Department of Chemistry and Biochemistry<br>North Dakota State University. Research and Creative Activity
28
LEREBOURS, PIGEONNIERE BRIGITTE. "Phototransfert d'electron en micelles directes : polymerisation de tensioactifs, carcterisation de vesicules mixtes." Paris 6, 1987. http://www.theses.fr/1987PA066490.
Full textAbstract:
Cette etude traite des relations entre structure et reactivite de differents agregats solubles dans l'eau. Les principaux themes abordes sont: -la separation de charges photoinduites en milieu aqueux, micellaire et en presence de micelles a contreions polymerises. -la distribution des tensioactifs mixtes composant une vesicules mixte et son aptitude a favoriser la formation de petits semi conducteurs
29
Musehane, Ndivhuwo M. "Direct numerical simulation of bubble-bubble and droplet-droplet interaction using a Surface Thin Film model." Master's thesis, University of Cape Town, 2016. http://hdl.handle.net/11427/22963.
Full textAbstract:
This dissertation deals with the simulation of dispersed multiphase flow. The particle-particle and particle-fluid interactions in this class of flows play an important role on the hydrodynamics and fluid transport phenomena that govern the overall flow behaviour. Accurate computational modelling of the particle-particle and particle- fluid interactions is thus required to correctly model the flow. The aim of this study is to use a Direct Numerical Simulation approach based on a smoothed Volume Of Fluid method to model particle-particle interactions in a dispersed multiphase flow at a fundamental level, and employing a surface thin film model, to drastically reduce the computational effort required. A multiscale modelling approach is followed with the smoothed Volume Of Fluid simulation on the particle scale and the surface thin film model simulation on the thin- film scale. The resulting governing equations are the Navier-Stokes equations for an incompressible viscous multiphase Newtonian fluid undergoing laminar and isothermal three-dimensional flow, the interface advection equation and the reduced order surface thin film equation. The model equations are discretized using the Finite Volume Method and implemented into the open source software OpenFOAM®. The numerical solution is obtained by solving the resulting non-linear system of equations implicitly on a structured computational grid on parallel processors using a pressure correction algorithm to converge the pressure at each time step. The study is restricted to gas-liquid systems where particles could either be bubbles or droplets; rigid particles are not considered. The model is tested against experimental results from binary collision of hydrocarbon droplets. Good qualitative numerical results are obtained at a practical computational cost.
30
Frühauf, Jens. "Surface dopant interactions in ultra-shallow junctions." [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=979061350.
Full text
31
Jarvis, Suzanne Philippa. "Atomic force microscopy and tip-surface interactions." Thesis, University of Oxford, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.359441.
Full text
32
Willems, Nathalie. "Molecular dynamics simulations of lipase-surface interactions." Thesis, University of Oxford, 2016. https://ora.ox.ac.uk/objects/uuid:7765c334-7c02-4190-a4b2-99ad315cfe52.
Full textAbstract:
Lipases are enzymes that play fundamental roles in fat digestion and metabolism, and function at the interface formed between hydrophobic molecules and the surrounding aqueous environment. These interfacial interactions are thought to induce conformational changes in a "lid" region of the lipase, leading to a dramatic increase in activity. This thesis aims to provide insight into the interactions that govern lipase association with interfaces of di erent structural characteristics, and the possible conformational changes that arise as a function of these interactions. A multi-scale molecular simulation approach (combining atomistic and coarse-grained methods) was applied to study two different lipases with a range of interfaces, including "soft" biological surfaces and "hard" non-biological surfaces. Three major insights were gained from these studies. First, interactions of a small bacterial lipase (M37) with lipid interfaces resulted in substantial structural changes in a lid region, uncovering of the underlying active site. A mechanism of interfacial ac- tivation is proposed for this lipase. Second, the interaction of M37 with non-biological interfaces di er from lipid interfaces, leading to altered interfacial orientations with possible functional consequences. Third, the amino acid composition of the lid region of a yeast lipase (TLL) is shown to play crucial roles in lipase activation and structural stability.
33
Agbormbai, Adolf Akombi. "Gas surface interactions in rarefied hypersonic flows." Thesis, Imperial College London, 1988. http://hdl.handle.net/10044/1/46929.
Full text
34
Ioannou, Marina. "Cell surface interactions of Coxsackie A9 virus." Thesis, University of Essex, 2018. http://repository.essex.ac.uk/22325/.
Full textAbstract:
An understanding of how viruses interact with their receptors is vital as this step is a major determinant of host susceptibility and disease. Coxsackievirus A9 (CAV9), an enterovirus, harbours an integrin- recognition motif, RGD (Arg-Gly-Asp), in the capsid protein VP1 and although modes of transmission and pathogenesis are still largely unknown, this motif is believed to be primarily responsible for integrins αvβ6 and αvβ3 binding. The conservation of the RGD +1 position in CAV9 and other picornaviruses showed evidence that this is related to viral tropism and infectiousness of the virus. CAV9 has also been reported to interact with the heparan sulphate/heparin class of proteoglycans (HSPG). This thesis describes work designed to improve our understanding of the involvement of a) the RGD motif and more specifically the RGDX position in CAV9 infection, using a large panel of different RGDX variants and a number of cell lines not previously used in CAV9 research b) the significance of possible interactions between CAV9 and HSPG in infection. Several CAV9 variants were tested in a panel of 8 different cell lines. Infection in each cell line was observed to follow either an RGD- dependant or RGD- independent pathway, although the results did not fully correlate with the receptor expression found on the cell lines used. The RGDX position was found to be critical for efficient infection in cells when an RGD- dependent pathway is used. To understand which integrin is likely to be involved in entry, into one of the RGD-dependent cell lines, A549, blocking antibodies against αvβ3 and αvβ6 were used. Neither antibody gave full protection against CAV9, as has been reported previously, suggesting that other integrins might also be used. Two new HSPG-binding CAV9 mutants were discovered, showing that binding to HSPG can be achieved by several mechanisms. Binding to HSPG was found to be significant in some cells, but not others, again illustrating the complexity of interactions between CAV9 and the cell surface. The results obtained have greatly improved our understanding of how CAV9 infects cells. This will be useful in the design of antivirus drugs and also gives a framework for the modification of CAV9 or other RGD containing picornaviruses for specific targeting of cancer cells for oncolytic therapy.
35
Pavey, Karl David. "Piezoelectric quartz crystal monitoring of surface interactions." Thesis, University of Brighton, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299222.
Full textAbstract:
Quartz crystal microbalances, (QCM), are high frequency oscillators, capable of nanogram mass resolution in both air and liquid environments. ~ work has produced data showing the feasibility of using the QCM for monitoring interactions in liquids for several types of systems and has allowed comparison with surface plasmon resonance (SPR) where appropriate. Bulk phase changes in viscosity and density have been used in the development of a QCM agglutination assay for the Staphylococcus epidermidis infection which has reduced diagnosis periods by a factor of twelve. Direct interactions at the crystal electrode have been employed when studying bacterial adhesion to protein treated gold surfaces. It was shown that suspensions containing as little as I x 10-2 cellsml-1 could be recognised using the QCM system. A novel boronic acid - vicinal diol interaction mechanism has been employed as a model for receptor-ligand binding. New boronic acid disulphide and short chain thiol derivatives have been synthesised and the formation of self assembled monolayers of the~e compounds monitored, both on the gold QCM electrodes and on the gold films of SPR slides, the assembly mechanism being shown to fit a two stage model shown by other workers for straight chain thiols. Monolayer orientation was confirmed using SPR, by the binding of a range of saccharides and the diol containing enzyme cofactor nicotinamide adenine dinucleotide. The enzymes lactate dehydrogenase and glucose-6-phosphate dehydrogenase have been shown to interact with bound NAD using both a novel flow injection system with QCM detection and SPR. The low molecular weight saccharide, glucose, was shown to bind reversibly to GDH on the surface of a QCM and the potential for kinetic stu4ies recognised. This was taken one step further with a preliminary investigation into sensing within real fluids, using diluted and spiked human seruin samples.
36
Rêgo, Celso Ricardo Caldeira. "Ab-initio studies of adsorbate-surface interactions." Universidade de São Paulo, 2017. http://www.teses.usp.br/teses/disponiveis/76/76131/tde-29012018-093011/.
Full textAbstract:
This thesis supplies a contribution to the understanding of the interaction between carboncarbon surfaces, atoms with carbon-surfaces, and atoms with metallic surfaces. It is well established that the surface-surface and atom-surface interactions are interesting, important and challenging for reasons that vary from industrial interest up to the academic necessity of understanding it deeply. Currently, there are many measurements and simulations for the geometric and electronic properties of Graphite, these differ by more than 40%. This implies that our understanding of the nature of this material is quite poor. The interaction between small transition-metals clusters with a Graphene sheet is another example where our knowledge is very limited. There are many theoretical studies in the literature that describe the interaction between these clusters with a Graphene sheet, but they agree and disagree on many points, which calls for systematic study of this issue. In this thesis we will focus our efforts on studying the surface-surface and atom/clusters-surface interactions. This thesis is split into three projects. The first aims to contribute to the understanding of the interlayer interactions of the bulk Graphite. In the second, we intend to shed some light on comprehending the interaction of an adatom with a Graphene sheet. Both of these projects, are studied within DFT framework with the inclusion of the van der Waals (vdW) corrections. In the Graphite project, we found that the electronic and geometric properties depend on the vdW correction employed in the calculation. In the adatom supported on Graphene project, we combined a modified Anderson-Newns model to describe the coupling between the adatom with Graphene. In addition, we found the existence of competition between quantum and classical forces, which determine the type of site in which the adatom prefers to adsorb. The last project is a dynamical study of an atom that impinges upon a metallic surface. In this project, we focus on the calculation of the sticking coefficient, a measure of the amount of nuclear density attached to the metal surface after collision. At this time the project is not one 100% ready, but our preliminary results indicates that, a small part of the nuclear density stays stuck on the metal.<br>Esta tese ajuda a entender as interações entre duas superfícies de carbono. A natureza da interação de átomos ou aglomerados atômicos adsorvidos sobre uma superfície de carbono. Além disso, visa esclarecer a dinâmica de um átomo sendo adsorvido sobre uma superfície metálica. As interações superfície-superfície e átomos-superfícies são importantes por razões que variam desde o interesse industrial até a necessidade acadêmica para compreendê-la profundamente. Entendê-las ainda é um desafio. Diversos trabalhos apresentam medidas experimentais e simulações para as propriedades geométricas e eletrônicas do grafite. Tais medidas diferem em mais ide 40% umas da outra. Isso mostra que nossa compreensão sobre a natureza desse material ainda é bastante pobre. A interação entre pequenos grupos de metais de transição com uma folha de grapheno é outro exemplo em que nosso conhecimento é limitado. Existem muitos estudos teóricos na literatura que descrevem a interação desse tipo de aglomerado com uma folha de grafeno, porém há numerosas discordâncias. Tais controvérsias parecem suplicar por um estudo sistemático. Nesta tese focamos nossos estudos nas interações superfície-superfície e de átomos ou aglomerados atômicos com superfícies de carbono e de um metal. A tese foi dividida em três projetos. O primeiro visa compreender melhor a interação entre as camadas do grafite. No segundo, pretendemos lançar alguma luz no entendimento da interação de átomos e aglomerados atômicos com uma folha de grafeno. Esses dois projetos, são estudados à luz da Teoria do Funcional da Densidade com a inclusão das correções van der Waals (vdW). No Projecto sobre o grafite, mostramos que as propriedades eletrônicas e geométricas dependem do tipo de correção de vdW empregada no cálculo. No projeto sobre átomos e aglomerados atômicos adsorvidos no grapheno, combinamos um modelo modificado de Anderson-Newns para descrever o acoplamento entre um átomo adsorvido e o grafeno. Além disso, encontramos uma competição entre forças quânticas e clássicas, a qual determina o tipo de sítio no qual o átomo prefere ser adsorvido. O último projeto é um estudo dinâmico de um átomo colidindo contra uma superfície metálica. Nesse projeto o foco é posto no cálculo do coeficiente de aderência, o qual mede a taxa de densidade nuclear presa na superfície metálica após a colisão. Resultados preliminares indicam que, uma pequena parte da densidade nuclear permanece aderida ao metal depois da colisão.
37
Oliveira, Marta Isabel Abreu. "Molecular interactions at the T cell surface." Doctoral thesis, Instituto de Ciências Biomédicas Abel Salazar, 2007. http://hdl.handle.net/10216/7220.
Full text
38
Doherty, Kyle George. "Microplasma technology for influencing cell-surface interactions." Thesis, University of Liverpool, 2014. http://livrepository.liverpool.ac.uk/18213/.
Full textAbstract:
Cataracts are the most common cause of preventable blindness worldwide. During cataract surgery a polymeric intraocular lens (IOL) is used to replace the cloudy natural lens. The most common post-operative complication is posterior capsule opacification (PCO). PCO is a wound healing response related to scarring, in which cellular changes disrupt the light path to the back of the eye through various processes, requiring a costly surgery to restore vision. The material of the IOL has been shown to affect PCO and it is hypothesised that the surface modification of IOL materials may be able to reduce the incidence of PCO. The use of plasmas established in the field of biomaterials modification and atmospheric pressure processes have significant benefits over the previous low pressure systems. In this work investigates the use of an atmospheric pressure plasma jet to modify the surface properties of polymeric materials, with the aim of developing a surface treatment method for use on IOLs. Materials and Methods The centre of polystyrene (PS) and poly(methyl methacrylate)(PMMA) surfaces were treated with an atmospheric pressure microplasma jet. The modification of surfaces was characterised by spatially resolved water contact angle, x-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). LECs were seeded onto surfaces and grown for 1-7 days. Cell attachment, growth and morphology were examined microscopically. The concentrations of some cytokines implicated in PCO (transforming growth factor-β2, basic fibroblast growth factor, interleukin-1, interleukin-6, and tumour necrosis factor-α) in culture medium were examined at specific time points. Tissue culture polystyrene and untreated materials served as controls. Atmospheric pressure plasma polymerisation of amine containing monomers using a plasma jet was also investigated. Results and Discussions The size of surface treatment could be tailored by altering flow rate and sample-nozzle distance. Surface treatment was due to an increase in surface oxygen content and plasma treatment did not cause a significant change in surface roughness. Plasma treatment increased the LEC adhesion to substrates. LECs were densely populated in the centre of treated materials and cells lacked the cobblestone morphology typical of epithelial cells. The secretion of inflammatory cytokines by LECs grown on plasma treated surfaces did not appear to be up-regulated in comparison to tissue culture polystyrene, however these results are preliminary. This work demonstrated that atmospheric pressure plasma polymerisation can be achieved using the plasma jet system to incorporate nitrogen functionalisation onto PS surfaces; however oxygen was also incorporated onto surfaces. Conclusions This work demonstrates that an atmospheric pressure microplasma jet can be used to modify surfaces in a spatially defined manner, without damaging the polymer surfaces. The increase in surface oxygen promotes cell adhesion which can be confined to an area <3mm. This treatment size is too large to be used to create different spatially defined treatments on IOL optics as the typical optic diameter is only 6mm. The large treatment size is possibly due to gas convection spreading reactive species across the surface of samples when the plasma jet reaches the surface. Plasma polymerisation could possibly be used to incorporate functional groups which promote LEC growth which maintains an epithelial morphology.
39
Di, Fino Alessio. "Comparative approach to barnacle adhesive-surface interactions." Thesis, University of Newcastle upon Tyne, 2015. http://hdl.handle.net/10443/2838.
Full textAbstract:
Barnacles are considered to be one of the major marine fouling organisms. Their settlement behaviour has been investigated using mainly Balanus amphitrite as a model organism. To better understand the mechanisms involved during the colonisation of surfaces by cypris larvae we have investigated another species, B. improvisus, which is reported to have different surface preferences compared to B. amphitrite. This study aims to unravel the effects of surface physicochemical cues, in particular surface free energy (SFE), surface charge and elastic modulus on the settlement of cyprids of both species. The use of well-defined surfaces under controlled conditions further facilitates comparison of the results with B. amphitrite. Furthermore, since this phase of presettlement behaviour is characterised by temporary adhesive (footprint) deposition, considered to be fundamental to surface exploration and surface discrimination by cyprids, some of the chemistries used for the settlement assays were used to investigate temporary adhesive-surface interactions. Cyprids were exposed to a series of model surfaces, namely self-assembled monolayers (SAMs) of alkanethiols with varying end-groups, homogenously applied to gold-coated polystyrene Petri dishes. The settlement response was significantly higher on negatively charged SAMs and lower on positively charged surfaces, while intermediate settlement occurred on neutral SAMs. Furthermore, no effects were observed when data were plotted against surface free energy after 48 hr of exposure. Temporary adhesive on SAMs was investigated using imaging ellipsometry and atomic force microscopy. Relatively thick footprints with low wetting were found on positively charged surfaces. Settlement of both species was also low on these surfaces. Footprints were thinner and spread more on hydrophobic surfaces. The adhesion force of temporary adhesive measured with functionalised AFM tips was higher on hydrophobic and negatively charged surfaces for both species. Furthermore, PDMS-based surfaces were prepared varying the elastic modulus, keeping constant other parameters, settlement behaviour and strength of adhesion of juveniles and adults were tested. We conclude that cyprid settlement behaviour of both species is influenced more by surface charge than SFE under controlled conditions. The temporary adhesives (footprints) of the two species had a stronger affinity for hydrophobic surfaces. Contrary ii to previous reports, therefore, the settlement preferences and adhesive secretion of these two species are similar. Elastic modulus influences settlement, juveniles and adults removal of both species, although B. improvisus is more sensitive if compared with B. amphitrite. This finding will be important for understanding the mechanism of surface selection by cyprids and for the development of future antifouling technologies.
40
Kolasinski, Robert David Goodwin David G. "Fundamental ion-surface interactions in plasma thrusters /." Diss., Pasadena, Calif. : California Institute of Technology, 2007. http://resolver.caltech.edu/CaltechETD:etd-11222006-105854.
Full text
41
Usman, Jauhr. "Quantification of affinity mediated cell/surface interactions." Thesis, University of Bath, 1997. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.362307.
Full text
42
Oliveira, Marta Isabel Abreu. "Molecular interactions at the T cell surface." Tese, Instituto de Ciências Biomédicas Abel Salazar, 2007. http://hdl.handle.net/10216/7220.
Full text
43
Jones, Cullen Brandon. "Groundwater-Surface Water Interactions near Mosier, Oregon." PDXScholar, 2016. https://pdxscholar.library.pdx.edu/open_access_etds/3414.
Full textAbstract:
The town of Mosier, Oregon, is located near the east, dry end of the Columbia River Gorge, and the local area is known for cherry orchards that rely heavily on groundwater for irrigation. The CRBG groundwater system in Mosier has experienced groundwater declines of up to 60 meters due to over-pumping and or commingling. Declining groundwater levels have led to concerns over the sustainability of the resource, as it is the principle water source for irrigation and domestic use. Despite numerous previous studies of groundwater flow in CRBG aquifers here and elsewhere in the Columbia River basin, an aspect that has received relatively little attention is the interaction between groundwater and surface waters at locations where interflow zones are intersected by the surface waters.
The objective of my research is to investigate how CRBG interflow zone exposures in Mosier Creek may be controlling groundwater elevations in the area. The methods used include: (1) geochemical analysis of well cuttings and detailed geologic mapping along area streams to identify interflow zones of individual CRBG flows, (2) analysis of stream discharge data and groundwater elevation data to confirm exchange of groundwater and surface waters, and (3) collection and analyses of 31 water samples from area wells, streams, and springs, to determine if waters from individual CRBG aquifers can be hydrochemically identified and to further constrain understanding of surface and groundwater interactions.
My study confirms that the general elevation of the Pomona Member and Basalt of Lolo interflow zone creek exposure is coincident with the elevation where a change in slope of the decline trend in 2004 is seen in Mosier area well hydrographs. Furthermore, the results of stream discharge data indicated a close connection between drawdown from groundwater pumping during irrigation season and groundwater- surface water interaction. At the time of drawdown in the upper-most CRBG aquifer (Pomona), the stream transitions from gaining to losing water into the groundwater system.
Elemental chemistry data indicates the Frenchman Springs Sentinel Gap aquifer waters are the most evolved waters in this study. Stable isotopic data reinforced this determination as the Sentinel Gap waters are the lightest, or most negative, with regard to δD and δ18O. Sentinel Gap samples were more depleted than other aquifer samples by 4.38 to 6.89 0/100 for δD and 0.39 to 0.59 0/100 for δ18O. The results of the general chemistry and isotope data reveal a more evolved chemical signature in lower watershed groundwater versus a less evolved signature for waters from wells located higher up on the Columbia Hills anticline. This was interpreted to be the result of the major structural features in the area providing for a more regional pathway of recharge in lower watershed groundwaters, versus a more local source of recharge for upper watershed groundwaters. There was also a pronounced commingled signature in the elemental ratios of lower watershed aquifer waters. The suspected mechanism of recharge to lower watershed wells is through younger Cascadian deposits upslope from the local watershed.
The findings of this study reveal the importance of a detailed understanding of CRBG stratigraphy and its relation to surface waters, especially for other areas within the Yakima Fold Belt or Oregon and Washington. Studies that do not consider the influence that individual CRBG flows can have on groundwater-surface water interactions, and the groundwater system as a whole, run the risk of improperly assessing the groundwater resource for a region.
44
Fernandez, Nicolas. "Etude des interactions gaz - surface par DFT." Thesis, Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4715/document.
Full textAbstract:
Les travaux présentés dans cette thèse relèvent principalement de la réactivité des surfaces et des interactions gaz-surface. Les champs d'application de ce travail sont variés et s'inscrivent principalement dans le domaine de la fusion nucléaire et du projet ITER.Dans ce cadre, la modélisation à l'échelle atomique est un outil important pour comprendre et interpréter les résultats expérimentaux. Notre domaine de compétences est celui du calcul de structures électroniques et des propriétés chimiques. Ces calculs sont principalement conduits dans le cadre de la Théorie de la Fonctionnelle de la Densité (DFT) et de la thermodynamique statistique.Bien que composé de six chapitres, ce manuscrit comporte trois parties principales. La première est dédiée à la présentation des méthodes de calculs utilisées tout au long de cette thèse. La deuxième partie est consacrée à l'étude de la formation du carbure de béryllium à partir d'un dépôt de béryllium sur une surface de graphite. Le degré de fiabilité des résultats DFT a été évalué et les principales étapes de la formation de carbure de béryllium ont été déterminées. La troisième partie développée sur deux chapitres est consacrée à l'étude de l'interaction entre l'hydrogène et le tungstène métallique. La dissolution, la diffusion ainsi que le piégeage de l'hydrogène dans le tungstène ont été étudiés. Un excellent accord a été obtenu entre les valeurs calculées et les résultats expérimentaux de référence<br>The work herein presented deals with the reactivity of surfaces and the gas–surface interaction. This work is connected to different fields of applied science and more specifically to the field of nuclear materials for fusion devices like the International Thermonuclear Experimental Reactor (ITER).Numerical simulations at the atomic scale can provide an in depth understanding of the mechanisms at the origin of experimental observations. More specifically, our skills are about electronic structure calculations and chemical properties modelling; most of the work we produced has been conducted within the framework of the Density Functional Theory (DFT) and statistical thermodynamics. While made of six chapters, the manuscript can be cast in three main parts. The first one is dedicated to the methods used throughout this thesis. The second is devoted to the formation of beryllium carbide from deposited beryllium atoms on graphite surfaces; the reliability of the DFT results was benchmarked and the main steps of the beryllium carbide formation were determined. The third part explores the interaction between hydrogen and metallic tungsten. The formation of vacancies in the material, its impact on the solubility and diffusion of hydrogen in tungsten were investigated, and the results were compared with experiment; an excellent agreement was found
45
Fernandez, Nicolas. "Etude des interactions gaz - surface par DFT." Electronic Thesis or Diss., Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4715.
Full textAbstract:
Les travaux présentés dans cette thèse relèvent principalement de la réactivité des surfaces et des interactions gaz-surface. Les champs d'application de ce travail sont variés et s'inscrivent principalement dans le domaine de la fusion nucléaire et du projet ITER.Dans ce cadre, la modélisation à l'échelle atomique est un outil important pour comprendre et interpréter les résultats expérimentaux. Notre domaine de compétences est celui du calcul de structures électroniques et des propriétés chimiques. Ces calculs sont principalement conduits dans le cadre de la Théorie de la Fonctionnelle de la Densité (DFT) et de la thermodynamique statistique.Bien que composé de six chapitres, ce manuscrit comporte trois parties principales. La première est dédiée à la présentation des méthodes de calculs utilisées tout au long de cette thèse. La deuxième partie est consacrée à l'étude de la formation du carbure de béryllium à partir d'un dépôt de béryllium sur une surface de graphite. Le degré de fiabilité des résultats DFT a été évalué et les principales étapes de la formation de carbure de béryllium ont été déterminées. La troisième partie développée sur deux chapitres est consacrée à l'étude de l'interaction entre l'hydrogène et le tungstène métallique. La dissolution, la diffusion ainsi que le piégeage de l'hydrogène dans le tungstène ont été étudiés. Un excellent accord a été obtenu entre les valeurs calculées et les résultats expérimentaux de référence<br>The work herein presented deals with the reactivity of surfaces and the gas–surface interaction. This work is connected to different fields of applied science and more specifically to the field of nuclear materials for fusion devices like the International Thermonuclear Experimental Reactor (ITER).Numerical simulations at the atomic scale can provide an in depth understanding of the mechanisms at the origin of experimental observations. More specifically, our skills are about electronic structure calculations and chemical properties modelling; most of the work we produced has been conducted within the framework of the Density Functional Theory (DFT) and statistical thermodynamics. While made of six chapters, the manuscript can be cast in three main parts. The first one is dedicated to the methods used throughout this thesis. The second is devoted to the formation of beryllium carbide from deposited beryllium atoms on graphite surfaces; the reliability of the DFT results was benchmarked and the main steps of the beryllium carbide formation were determined. The third part explores the interaction between hydrogen and metallic tungsten. The formation of vacancies in the material, its impact on the solubility and diffusion of hydrogen in tungsten were investigated, and the results were compared with experiment; an excellent agreement was found
46
Liang, He. "Control of surface interactions with ultra-violet/ozone modification at polystyrene surface." Thesis, Robert Gordon University, 2014. http://hdl.handle.net/10059/948.
Full textAbstract:
Surface interactions and reactivity are of critical importance in current biomedical technologies, for example, satisfactory cell attachment and long term viability are essential for optimal in vitro tissue culture and for successful implantation and stability of cardiovascular medical implants such as stents and grafts. To achieve this, the control of fundamental forces and the resulting molecular interactions between the relevant surface and absorbing or adhering species in the physiological system is compulsory. This work utilised the surface modification technique of Ultra-Violet/ Ozone to improve the polystyrene biocompatibility by oxidising the surface with additional polar oxygen functional groups without damaging the surface bulk property. UV/Ozone treatment utilised throughout this study produced controllable oxygen functional groups and led to an increase in surface atomic oxygen level to 41% on unwashed and 35% on washed polystyrene surfaces, washing resulted in the removal of low molecular weight oxidised materials. Surface energy was increased by the addition of oxygen functional groups with the combination of alcohol (C-OR), carbonyl (C=O) and carboxyl (O-C=O); Saturation state was reached after 300s of UV/Ozone treatment where no more oxygen functionalities were incorporated to the surface. Moreover, UV/ozone treatment did not show an effect on the surface roughness studied by atomic force microscopy. The biological responses of human endothelial umbilical vein cells (HUVECs) were studied at the different level of UV/Ozone treated surfaces. HUVEC adhesion, proliferation and migration were significantly improved by the treatment compared to untreated and tissue cultures plastics (TCPs). Among the levels of UV/ozone treatment studied, 120s and 180s were found to be the most effective and HUVEC proliferation did not seem to be affected by the high level of oxygen. Similarly, the surface oxygen level did not affect the migration over UV/Ozone treated over 60s. Hypoxic condition significantly increased HUVECs migration on UV/Ozone treated, TCPs and untreated surfaces compared to normoxia, the oxygen rich surface did not favour to HUVECs that underwent regulatory process to enable the cells to increase migration. Under laminar flow conditions, HUVECs did not only grow, proliferate and migrate but also showed standard responses on UV/Ozone treated polystyrene surface. A decrease in cell size was observed at all shear stress intensities studied (1 dyn/cm2, 9 dyn/cm2 and 25 dyn/cm2) and the decrease was more obvious at higher shear stress. High shear stress intensity also induced high cell turnovers, which may be related to air bubbles induced at high flow rate. The overall findings of this study clearly illustrate that UV/Ozone surface treatment can be applied on polystyrene to improve human endothelial cells functionalities in term of adhesion, proliferation and migration in both static and laminar flow environment.
47
Toquer, Guillaume. "Couplages originaux entre Surfactants et Cristaux Liquides Thermotropes : Microémulsions inverses et émulsions directes." Phd thesis, Université Montpellier II - Sciences et Techniques du Languedoc, 2006. http://tel.archives-ouvertes.fr/tel-00142098.
Full textAbstract:
Cette thèse décrit deux études expérimentales distinctes sur des couplages originaux entre un cristal liquide et des surfactants.<br />La première étude porte sur l'organisation de systèmes lyotropes (surfactants et eau) dans un solvant thermotrope anisotrope (cristal liquide). L'existence d'une phase baptisée « nématique transparente » dans un tel système mixte thermotrope-lyotrope de type microémulsion a été en effet récemment débattue. Des expériences de diffusion dynamique de lumière, au voisinage de la transition isotrope-nématique, laissait supposer l'apparition d'une phase intermédiaire, résultant de la compétition entre l'apparition d'un ordre nématique dans le solvant et des effets d'ancrages sur les agrégats.<br />Nous avons caractérisé, dans un premier temps, par diffusion de rayonnement X et neutrons, la morphologie et les interactions d'agrégats, composés de bromure de didodecyldimethylammonium (DDAB) et d'eau, dans le cristal liquide 4-n-pentyl-4'-cyanobiphenyl (5CB) en phase isotrope. L'étude de l'évolution des diagrammes de phases couplée à des expériences de diffusion (X, Lumière et neutrons) a permis de montrer que l'ajout de cosurfactants permettait de faire varier continûment la taille des nanoagrégats. L'ensemble de nos données expérimentales s'explique bien par la présence d'interactions fortes de Van der Waals entre micelles, ce qui justifie en particulier l'absence de transition microémulsion/ lamellaire gonflée dans ce système. L'analyse des facteurs de structure a permis par ailleurs de mettre en évidence une seconde interaction attractive entre micelle, causée par les fluctuations paranématiques du cristal liquide, intervenant essentiellement à l'approche de la transition isotrope-nématique du cristal liquide. Nous discutons de cette nouvelle interaction à la lumière des résultats de nos expériences de diffusion.<br />La deuxième étude porte sur les émulsions directes eau-cristal liquide en présence de surfactants amphotropes que nous avons synthétisés et caractérisés par RMN. La formulation de ces surfactants visait à renforcer leur localisation exclusive à l'interface eau-cristal liquide. Les émulsions obtenues montrent la formation spectaculaire de gouttes allongées cylindriques de type filaments. Les propriétés statiques et dynamiques de ces objets ont été explorées et l'origine de cette instabilité est explicitée. La longueur des microtubes est modifiable par des gradients de concentration ou des variations de température ce qui nous a permis de discuter du mécanisme régissant leur morphologie.
48
Simonin, Olivier. "Contribution à la résolution collective de problème (Modèles d'auto-organisation par interactions directes et indirectes dans les SMA réactifs et robotiques)." Habilitation à diriger des recherches, Université Henri Poincaré - Nancy I, 2010. http://tel.archives-ouvertes.fr/tel-00546300.
Full textAbstract:
Ce mémoire d'Habilitation à Diriger les Recherches présente les principales activités de recherche que j'ai menées depuis 2002 en tant que Maître de Conférences, tout d'abord à l'Université de Technologie de Belfort-Montbéliard, jusqu'en 2006, puis à l'Université Henri Poincaré dans l'équipe Maia au LORIA. Ce mémoire synthétise une partie de mes contributions au domaine de la résolution collective de problème, en informatique et en robotique. Il s'agit d'une approche inspirée du vivant, reposant sur les interactions d'un grand nombre d'agents simples entre eux et avec leur environnement, capable de faire émerger des structures ou des organisations constituant des solutions à des problèmes donnés. Cette approche est connue pour générer des solutions robustes et auto-adaptatives aux conditions variables et inconnues de l'environnement ou du système. La principale motivation de ces travaux est de modéliser ces comportements d'auto-organisation pour mieux les comprendre et les utiliser dans la définition de processus de résolution de problème ou de contrôle de flottilles de robots. Dans ce cadre, le mémoire présente les recherches menées selon deux approches possibles des interactions entre agents. Dans un premier temps, nous considérons des interactions directes entre agents ou robots, essentiellement par signaux/perceptions, et montrons comment la coordination réactive peut être efficace pour la résolution de problèmes spatiaux, ainsi que pour la navigation en formation. Dans un deuxième temps, nous examinons des modèles de coopération indirecte, c'est-à-dire fondés sur le marquage et la lecture d'informations dans l'environnement. Nous focalisons sur l'étude des processus d'auto-organisation engendrés par ce principe, puis examinons des approches pour leur implémentation réelle et robotique. Enfin, le mémoire présente mes perspectives de recherche en détaillant des pistes pour la définition d'une approche générique de résolution collective de problème fondée sur la construction de champs dynamiques dans l'environnement, et pour son déploiement en robotique dans des environnements réels et large échelle.
49
Zarzoso-Lacoste, Diane. "Vers une meilleure compréhension des interactions trophiques directes et indirectes entre prédateurs invasifs et espèces natives au sein des écosystèmes insulaires." Thesis, Aix-Marseille, 2013. http://www.theses.fr/2013AIXM4330/document.
Full textAbstract:
Les prédateurs introduits, tels que les chats (Felis silvestris catus) et les rats (Rattus spp), constituent la principale cause de raréfaction et d'extinction d'oiseaux insulaires. L'impact de la prédation sur les populations d'oiseaux est généralement quantifié grâce à l'identification morphologique des restes d'oiseaux dans les échantillons alimentaires de prédateurs. Une synthèse bibliographique réalisée dans cette thèse soulève les biais qualitatifs et quantitatifs liés à la difficulté d'identification des restes d'oiseaux. Les méthodes moléculaires permettent aujourd'hui de détecter et d'identifier avec précision l'ADN de proies cibles dans le régime alimentaire des prédateurs. Une part importante de cette thèse a consisté à optimiser le protocole moléculaire et en particulier les étapes de sélection des amorces taxon-spécifiques et de l'extraction de l'ADN des proies. La comparaison des performances des méthodes morphologique et moléculaire a mis en évidence la puissance de cette dernière dans la détection et l'identification des espèces d'oiseaux consommées par les chats et rats de l'île de Niau (Polynésie Française). L'étude des interactions trophiques directes (prédation) et indirectes (compétition alimentaire) entre trois prédateurs invasifs (R. exulans, R. rattus et F. s. catus) et un oiseau menacé d'extinction, le Martin-chasseur des Gambier (Todiramphus gambieiri) a montré un très faible impact sur cet oiseau par prédation, mais un fort potentiel de compétition alimentaire avec les 2 Rattus sp., en particulier pour les lézards Scincidae et certains arthropodes terrestres. Des perspectives de conservation du Martin-chasseur sont proposées et discutées<br>Introduced predators, particularly cats (Felis silvestris catus) and rats (Rattus spp) are recognized as a major factor of rarefaction and extinction of island bird species. The impact of predation on bird populations is usually assessed through the morphological identification of bird remains in predator diet samples. A review conducted in this thesis highlighted the qualitative and quantitative biases related to the difficulty of detecting and identifying the consumed bird species in predator diet samples. Molecular methods allow the accurate detection and identification of targeted prey DNA in the diet of predators. A large part of the work entailed here has been to optimize the molecular protocol and particularly the key steps of the selection of.taxon-specific primer pairs and the extraction of prey DNA. A comparative study of the performances of both morphological and molecular methods highlighted the strength of the latter in the detection and identification of the bird species preyed by cats and rats on Niau island (French Polynesia). The study of the direct (predation) and indirect (competition for food) trophic interactions between three invasive predators (R. exulans, R. rattus and F. s. catus) and a critically endangered bird, the Tuamotu Kingfisher (Todiramphus gambieiri), demonstrated a very low impact of cats and rats on the population of Tuamotu Kingfisher through predation, but a high potential for food competition between this bird and the two species of rats, particularly for lizards (Scincidae) and some terrestrial arthropods. Finally, management perspectives regarding the conservation of Kingfisher Gambier are proposed and discussed
50
Daniel, Richard Crosson. "Ink-media interactions in ink-jet printing /." Thesis, Connect to this title online; UW restricted, 2004. http://hdl.handle.net/1773/9829.
Full text