Dissertations / Theses on the topic 'Dynamic heterogeneities'
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Täuber, Daniela, Jörg Schuster, Mario Heidernätsch, Michael Bauer, Günter Radons, and Borczyskowski Christian von. "Discrimination between static and dynamic heterogeneities in single dye diffusion in ultrathin liquid films." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-190911.
Full textTäuber, Daniela, Jörg Schuster, Mario Heidernätsch, Michael Bauer, Günter Radons, and Borczyskowski Christian von. "Discrimination between static and dynamic heterogeneities in single dye diffusion in ultrathin liquid films." Diffusion fundamentals 11 (2009) 76, S. 1-2, 2009. https://ul.qucosa.de/id/qucosa%3A14041.
Full textWidmer-Cooper, Asaph. "Structure and dynamics in two-dimensional glass-forming alloys." Thesis, The University of Sydney, 2006. http://hdl.handle.net/2123/1320.
Full textWidmer-Cooper, Asaph. "Structure and dynamics in two-dimensional glass-forming alloys." Science. School of Chemistry, 2006. http://hdl.handle.net/2123/1320.
Full textThe glass-transition traverses continuously from liquid to solid behaviour, yet the role of structure in this large and gradual dynamic transition is poorly understood. This thesis presents a theoretical study of the relationship between structure and dynamics in two-dimensional glass-forming alloys, and provides new tools and real-space insight into the relationship at a microscopic level. The work is divided into two parts. Part I is concerned with the role of structure in the appearance of spatially heterogeneous dynamics in a supercooled glass-forming liquid. The isoconfigurational ensemble method is introduced as a general tool for analysing the effect that a configuration has on the subsequent particle motion, and the dynamic propensity is presented as the aspect of structural relaxation that can be directly related to microscopic variations in the structure. As the temperature is reduced, the spatial distribution of dynamic propensity becomes increasingly heterogeneous. This provides the first direct evidence that the development of spatially heterogeneous dynamics in a fragile glass-former is related to spatial variations in the structure. The individual particle motion also changes from Gaussian to non- Gaussian as the temperature is reduced, i.e. the configuration expresses its character more and more intermittently. The ability of several common measures of structure and a measure of structural ‘looseness’ to predict the spatial distribution of dynamic propensity are then tested. While the local coordination environment, local potential energy, and local free volume show some correlation with propensity, they are unable to predict its spatial variation. Simple coarse-graining does not help either. These results cast doubt on the microscopic basis of theories of the glass transition that are based purely on concepts of free volume or local potential energy. In sharp contrast, a dynamic measure of structural ‘looseness’ - an isoconfigurational single-particle Debye-Waller (DW) factor - is able to predict the spatial distribution of propensity in the supercooled liquid. This provides the first microscopic evidence for previous correlations found between short- and long-time dynamics in supercooled liquids. The spatial distribution of the DW factor changes rapidly in the supercooled liquid and suggests a picture of structural relaxation that is inconsistent with simple defect diffusion. Overall, the work presented in Part I provides a real-space description of the transition from structure-independent to structure-dependent dynamics, that is complementary to the configuration-space description provided by the energy landscape picture of the glass transition. In Part II, an investigation is presented into the effect of varying the interparticle potential on the phase behaviour of the binary soft-disc model. This represents a different approach to studying the role of structure in glass-formation, and suggests many interesting directions for future work. The structural and dynamic properties of six different systems are characterised, and some comparisons are made between them. A wide range of alloy-like structures are formed, including substitutionally ordered crystals, amorphous solids, and multiphase materials. Approximate phase diagrams show that glass-formation generally occurs between competing higher symmetry structures. This work identifies two new glass-forming systems with effective chemical ordering and substantially different short- and medium-range structure compared to the glassformer studied in Part I. These represent ideal candidates for extending the study presented in Part I. There also appears to be a close connection between quasicrystal and glass-formation in 2D via random-tiling like structures. This may help explain the experimental observation that quasicrystals sometimes vitrify on heating. The alignment of asymmetric unit cells is found to be the rate-limiting step in the crystal nucleation and growth of a substitutionally ordered crystal, and another system shows amorphous-crystal coexistence and appears highly stable to complete phase separation. The generality of these results and their implications for theoretical descriptions of the glass transition are also discussed.
Reinsberg, Stefan A. "Length scales of dynamic heterogeneities of low and high molecular weight glass formers from multidimensional NMR." [S.l.] : [s.n.], 2001. http://ArchiMeD.uni-mainz.de/pub/2002/0028/diss.pdf.
Full textBauer, Michael, Mario Heidernätsch, Daniela Täuber, Jörg Schuster, Christian von Borczyskowski, and Günter Radons. "Investigations of static and dynamic heterogeneities in ultra-thin liquid films via scaled squared displacements of single molecule diffusion." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-190567.
Full textBauer, Michael, Mario Heidernätsch, Daniela Täuber, Jörg Schuster, Christian von Borczyskowski, and Günter Radons. "Investigations of static and dynamic heterogeneities in ultra-thin liquid films via scaled squared displacements of single molecule diffusion." Diffusion fundamentals 11 (2009) 70, S. 1-2, 2009. https://ul.qucosa.de/id/qucosa%3A12984.
Full textKerasidou, Ariadni. "Investigation of the nonlinear optical response of novel azobenzene-iminopyridine derivatives and the dynamic heterogeneities of water / methanol mixtures." Thesis, Angers, 2015. http://www.theses.fr/2015ANGE0065.
Full textThis study is divided into two parts: the investigation of the nonlinear optical (NLO) properties of new (pi)- conjugated Azobenzene Iminopyridine derivatives and the Dynamic Heterogeneities (DH) of water/methanol mixtures. The first part was achieved employing Z-scan, Second and Third Harmonic Generation (SHG/THG) techniques. Generally, nonlinear optics is the domain of optics that studies the interaction of light with a material system and the changes resulted in the optical properties of the materials by an intense electromagnetic field. The nonlinearity lies in the fact that the material response does not depend linearly on the intensity of the electric field. Materials with significant nonlinear response are very useful for photonics and optoelectronics. They can be used as optical limiters to protect sensitive detectors of high-intensity laser beams, as well as optical switches, optical logic gates and etc., with an ultimate objective the processing of optical signal and manufacture of optical computers. The second part was done via computer calculationsand more specifically Molecular Dynamic Simulations in water, methanol and water/methanol mixtures at different temperatures. Computer simulation is a very suitable tool for exploring liquids, also in the range of the supercooled regime, without the limitations of the nucleation process, which takes place in the real experiment. Supercooled liquids undergo an exponential (Arrhenius) or even larger increase of their viscosity, when the temperature decreases. This large modification of the transport properties appear while the structure only slightly changes with temperature
Luo, Sheng-Nian Clayton Robert W. "I. The heterogeneities at the core-mantle and inner-core boundaries from PKP phases ; II. The static and dynamic behavior of silica at high pressures /." Diss., Pasadena, Calif. : California Institute of Technology, 2003. http://resolver.caltech.edu/CaltechETD:etd-05302003-174154.
Full textTsamados, Michel. "Mechanical response of glassy materials : theory and simulation." Phd thesis, Université Claude Bernard - Lyon I, 2009. http://tel.archives-ouvertes.fr/tel-00466081.
Full textWilly, Nathan. "Investigating the Heterogeneities of Clathrin Dynamics." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1546466828242355.
Full textDehaoui, Amine. "Viscosité de l'eau surfondue." Thesis, Lyon 1, 2015. http://www.theses.fr/2015LYO10172/document.
Full textWater is an omnipresent liquid, indeed secrets of water are uncountable. In the water case, the behaviour of many thermodynamical and dynamicalquantities is very different from other standard liquids. This difference is more important in the supercooled state. In this thesis we focus on the viscosity of the heavy and light water into the supercooled state at atmospheric pressure. To do this we use the differential dynamic microscopy method. We were able to measure the viscosity to -34 C for light water and -25°C for heavy water. These viscosity measurements correlated to measurements of self-diffusion coefficient allowed us to confirm the existence of a so-called anomaly violation Stokes-Einstein
Ward, Zoe. "Exploring the impact of heterogeneities on HIV dynamics within host." Thesis, University of Bath, 2011. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.550615.
Full textBrun, Coralie. "Des liquides surfondus aux verres : étude des corrélations à et hors équilibre." Phd thesis, Université Paris Sud - Paris XI, 2011. http://tel.archives-ouvertes.fr/tel-00664998.
Full textShiba, Hayato. "Studies on heterogeneities in 2D particle systems: Structural disorder and dynamics." 京都大学 (Kyoto University), 2010. http://hdl.handle.net/2433/123326.
Full textKrausser, Johannes. "Non-affine lattice dynamics of disordered solids." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/280686.
Full textSizemore, Hanna Gail. "The role of soils and soil heterogeneities in the dynamics and stability of Martian ground ice." Connect to online resource, 2008. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3315774.
Full textAvila-Coronado, Karina E. "Triangular Relations in Structural Glasses." Ohio University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1273602464.
Full textFerrari, Nicola. "Macroparasite transmission and dynamics in Apodemus flavicollis." Thesis, University of Stirling, 2005. http://hdl.handle.net/1893/105.
Full textMasurel, Robin. "Role des hétérogénéités dynamiques dans la mécanique des polymères amorphes : modélisation et simulations par éléments finis." Thesis, Paris 6, 2016. http://www.theses.fr/2016PA066001.
Full textAmorphous polymers present dynamical heterogeneities at the scale of 3 to 5nm near Tg. Their contributions to mechanical properties are still not well known. We thus consider a simple model where each dynamical heterogeneities has its own relaxation time randomly drawn is a log-normal time distribution. A coarse –grained model at the dynamical heterogeneity is then developed in the continuous medium approximation. Finite element simulations are performed to calculate macroscopic mechanical properties of amorphous polymers taking account of mechanical couplings between heterogeneities. We show that the glass transition is controlled by a percolation of slow domains. Mechanical couplings result in viscoelastic spectrum highly narrowed as compared to the microscopic one. In thin films of polymers, we evidence a slowdown of the dynamics of relaxation as compared to the bulk one. Considering that a high applied stress increase the dynamics of polymers, we show that dynamical heterogeneities result in an internal stress network. The latter is a consequence a plastic deformation and result in an internal energy which is not released after an unloading
Bizet, Laurent. "Caractérisation et modélisation du comportement thermomécanique des matériaux métalliques : vers la prise en compte des hétérogénéités micro-structurales intrinsèques." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAA001/document.
Full textTo obtain a relevant shape of a formed part during its finite element simulation, several steps are needed: thermo-mechanical caracterization of the material, definition of the most relevant model and integration of this model in the FE software and finally after data converting and computing processes. The modelling step include, among other things, the identification of the most appropriate model to fit the experimental material behaviour. Those models are essentially developped within the framework of continuum mechanics (CM). A strong, if not the main assumption of the CM consists in considering that mechanical description variables are continuous and differentiable. However, the basic knowledge of metallurgy indicates that local data in metallic materials are discontinuous. For metallic materials, the majority of constitutive models are based on the definition of a representative elementary volume (REV). This REV is supposed to be large enough to erase the incidence of local heterogeneities. Then those constitutive models are assumed to be homogeneous.The aim of this work is to show that introducing local heterogeneities in the description of constitutive models is relevant and contribute to improve the simulation accuracy. Those models also provide an enlargement of the simulation predictive potential. Then an elasto-plastic model, based on local heterogeneities description, is proposed
Leone, Lindsay. "Single Molecule Studies of Dynamic Heterogeneities in Supercooled Liquids." Thesis, 2015. https://doi.org/10.7916/D8X065WD.
Full textKamath, Sudesh. "Dynamic heterogeneities in glasses and miscible polymer blends computer simulations using the bond fluctuation model /." 2003. http://etda.libraries.psu.edu/theses/approved/WorldWideIndex/ETD-278/index.html.
Full textReinsberg, Stefan A. [Verfasser]. "Length scales of dynamic heterogeneities of low and high molecular weight glass formers from multidimensional NMR / Stefan A. Reinsberg." 2001. http://d-nb.info/963791842/34.
Full textLuo, Sheng-Nian. "I. The Heterogeneities at the Core-Mantle and Inner-Core Boundaries from PKP Phases. II. The Static and Dynamic Behavior of Silica at High Pressures." Thesis, 2003. https://thesis.library.caltech.edu/2300/1/SNL_Thesis.pdf.
Full textWaveform and differential travel-time (DTT) of various PKP phases have been utilized to study the velocity variations at the core-mantle boundary (CMB) and the inner-core boundary (ICB). The spatial concentration of events and stations, and the significant variations in PKPab-PKPdf DTT and waveform of PKPab, indicate localized sharp lateral variation of velocity at the CMB as supported by simulations. Modeling of DTT's among PKiKP, PKIKP and PKP-B-diffracted (Bdiff) phases, and waveform of Bdiff supports that the ratio of relative velocity variations of S- and P-wave at the CMB is larger than 2, and that hemispheric P-wave velocity variations exist at the top of the inner core, and that D' structure is related to the ICB via core dynamics.
The equation of state of stishovite is obtained by direct shock wave loading up to 235 GPa as K0T=306 ± 5 GPa and K0T' = 5.0 ± 0.2 where K0T is ambient bulk modulus and K0T' its pressure derivative. Phase diagram of silica (including melting curve) up to megabar pressure regime is established based on molecular dynamics (MD) simulations and dynamic and static experiments. Calculations show that perovskite is thermodynamically stable relative to the stishovite and periclase assemblage at lower mantle conditions. A detailed and quantitative examination is conducted on the thermodynamics and phase change mechanisms (including amorphization) that occur upon shock wave loading and unloading of silica. The systematics of maximum undercooling and superheating, are established by incorporating normalized energy barrier for nucleation and heating (cooling) rate, and validated at the atomic level with systematic MD simulations. By considering superheating in shock wave experiments, high-pressure melting curves for silica, alkali halides and transition metals are constructed based on the Lindemann law and the $ln2$ rule for the entropy of melting.
Baig-Meininghaus, Tariq. "Influence of Heterogeneities on Waves of Excitation in the Heart." Doctoral thesis, 2017. http://hdl.handle.net/11858/00-1735-0000-002E-E48D-7.
Full textGuerdane, Mohammed. "Structure and Dynamics of Molecular-Dynamics Simulated Undercooled Ni-Zr-Al Melts." Doctoral thesis, 2000. http://hdl.handle.net/11858/00-1735-0000-000D-F106-6.
Full textJakoby, Oliver. "Risk management in semi-arid rangelands: Modelling adaptation to spatio-temporal heterogeneities." Doctoral thesis, 2011. https://repositorium.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-201112078601.
Full textKachui, Solingyur Zimik. "Dynamics of Spiral and Scroll Waves in a Mathematical Model for Human-Ventricular Tissue : The Effects of Fibroblasts, Early-after depolarization, and Heterogeneities." Thesis, 2017. http://etd.iisc.ernet.in/2005/3798.
Full textBedorf, Dennis. "Mechanische Spektroskopie an metallischen Gläsern in reduzierter Dimensionalität." Doctoral thesis, 2009. http://hdl.handle.net/11858/00-1735-0000-000D-F253-1.
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